data_17995
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17995
_Entry.PDB_ID 2LKI
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 17995
_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 24 24 GLN N N 2 121.730 121.730 119.469 2.261 17995
2 1 1 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.453 -0.491 17995
3 1 1 . 1 1 24 24 GLN C C 2 177.291 177.291 177.843 -0.552 17995
4 1 1 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.596 0.795 17995
5 1 1 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.380 -0.670 17995
6 1 1 . 1 1 24 24 GLN H H 2 8.511 8.511 9.028 -0.517 17995
7 1 1 . 1 1 25 25 HIS N N 3 116.878 116.878 119.686 -2.808 17995
8 1 1 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.684 0.419 17995
9 1 1 . 1 1 25 25 HIS C C 3 175.501 175.501 177.409 -1.908 17995
10 1 1 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.012 -0.665 17995
11 1 1 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.767 0.860 17995
12 1 1 . 1 1 25 25 HIS H H 3 8.216 8.216 8.140 0.076 17995
13 1 1 . 1 1 26 26 LEU N N 4 121.540 121.540 119.581 1.959 17995
14 1 1 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.135 -0.442 17995
15 1 1 . 1 1 26 26 LEU C C 4 177.649 177.649 178.396 -0.747 17995
16 1 1 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.100 1.603 17995
17 1 1 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.211 1.124 17995
18 1 1 . 1 1 26 26 LEU H H 4 7.447 7.447 7.972 -0.525 17995
19 1 1 . 1 1 27 27 GLU N N 5 118.441 118.441 120.127 -1.686 17995
20 1 1 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.976 -0.085 17995
21 1 1 . 1 1 27 27 GLU C C 5 178.162 178.162 178.276 -0.114 17995
22 1 1 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.246 0.376 17995
23 1 1 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.177 -0.100 17995
24 1 1 . 1 1 27 27 GLU H H 5 8.561 8.561 7.832 0.729 17995
25 1 1 . 1 1 28 28 ALA N N 6 122.005 122.005 121.339 0.666 17995
26 1 1 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.185 -0.053 17995
27 1 1 . 1 1 28 28 ALA C C 6 180.421 180.421 180.070 0.351 17995
28 1 1 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.724 0.555 17995
29 1 1 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.184 0.582 17995
30 1 1 . 1 1 28 28 ALA H H 6 8.205 8.205 7.634 0.571 17995
31 1 1 . 1 1 29 29 VAL N N 7 116.985 116.985 119.777 -2.792 17995
32 1 1 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.641 -0.132 17995
33 1 1 . 1 1 29 29 VAL C C 7 177.034 177.034 177.529 -0.495 17995
34 1 1 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.009 0.354 17995
35 1 1 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.710 -0.271 17995
36 1 1 . 1 1 29 29 VAL H H 7 8.392 8.392 8.100 0.292 17995
37 1 1 . 1 1 30 30 ARG N N 8 121.674 121.674 119.052 2.622 17995
38 1 1 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.052 -0.388 17995
39 1 1 . 1 1 30 30 ARG C C 8 177.810 177.810 178.457 -0.647 17995
40 1 1 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.285 1.240 17995
41 1 1 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.487 1.179 17995
42 1 1 . 1 1 30 30 ARG H H 8 8.784 8.784 8.225 0.559 17995
43 1 1 . 1 1 31 31 ASN N N 9 118.102 118.102 118.568 -0.466 17995
44 1 1 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.513 -0.229 17995
45 1 1 . 1 1 31 31 ASN C C 9 177.890 177.890 177.243 0.647 17995
46 1 1 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.000 0.254 17995
47 1 1 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.209 -0.620 17995
48 1 1 . 1 1 31 31 ASN H H 9 8.144 8.144 7.992 0.152 17995
49 1 1 . 1 1 32 32 ILE N N 10 123.614 123.614 120.515 3.099 17995
50 1 1 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.491 0.301 17995
51 1 1 . 1 1 32 32 ILE C C 10 177.810 177.810 177.786 0.024 17995
52 1 1 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.329 -0.071 17995
53 1 1 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.940 0.794 17995
54 1 1 . 1 1 32 32 ILE H H 10 8.137 8.137 7.768 0.369 17995
55 1 1 . 1 1 33 33 LEU N N 11 119.797 119.797 119.789 0.008 17995
56 1 1 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.083 -0.297 17995
57 1 1 . 1 1 33 33 LEU C C 11 179.039 179.039 179.433 -0.394 17995
58 1 1 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.467 0.243 17995
59 1 1 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.184 0.891 17995
60 1 1 . 1 1 33 33 LEU H H 11 8.637 8.637 8.361 0.276 17995
61 1 1 . 1 1 34 34 GLY N N 12 103.682 103.682 106.037 -2.355 17995
62 1 1 . 1 1 34 34 GLY C C 12 175.242 175.242 175.496 -0.254 17995
63 1 1 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.105 0.613 17995
64 1 1 . 1 1 34 34 GLY H H 12 8.513 8.513 8.349 0.164 17995
65 1 1 . 1 1 35 35 ASP N N 13 122.235 122.235 121.559 0.676 17995
66 1 1 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.627 -0.042 17995
67 1 1 . 1 1 35 35 ASP C C 13 179.013 179.013 178.070 0.943 17995
68 1 1 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.292 0.624 17995
69 1 1 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.408 -0.362 17995
70 1 1 . 1 1 35 35 ASP H H 13 7.968 7.968 7.650 0.318 17995
71 1 1 . 1 1 36 36 VAL N N 14 120.841 120.841 119.053 1.788 17995
72 1 1 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.737 -0.060 17995
73 1 1 . 1 1 36 36 VAL C C 14 177.797 177.797 177.920 -0.123 17995
74 1 1 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.939 0.065 17995
75 1 1 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.195 0.037 17995
76 1 1 . 1 1 36 36 VAL H H 14 8.765 8.765 8.095 0.670 17995
77 1 1 . 1 1 37 37 LEU N N 15 114.630 114.630 114.985 -0.355 17995
78 1 1 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.285 -0.004 17995
79 1 1 . 1 1 37 37 LEU C C 15 175.483 175.483 176.496 -1.013 17995
80 1 1 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.994 -0.824 17995
81 1 1 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.334 -1.640 17995
82 1 1 . 1 1 37 37 LEU H H 15 7.942 7.942 7.849 0.093 17995
83 1 1 . 1 1 38 38 ASN N N 16 116.887 116.887 116.590 0.297 17995
84 1 1 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.603 -0.069 17995
85 1 1 . 1 1 38 38 ASN C C 16 175.668 175.668 174.887 0.781 17995
86 1 1 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.849 0.071 17995
87 1 1 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.775 -0.917 17995
88 1 1 . 1 1 38 38 ASN H H 16 7.561 7.561 7.710 -0.149 17995
89 1 1 . 1 1 39 39 LEU N N 17 114.676 114.676 118.696 -4.020 17995
90 1 1 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.399 -0.329 17995
91 1 1 . 1 1 39 39 LEU C C 17 178.415 178.415 178.173 0.242 17995
92 1 1 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.027 0.717 17995
93 1 1 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.577 1.699 17995
94 1 1 . 1 1 39 39 LEU H H 17 8.233 8.233 7.591 0.642 17995
95 1 1 . 1 1 40 40 GLY N N 18 109.665 109.665 108.553 1.112 17995
96 1 1 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.926 -0.621 17995
97 1 1 . 1 1 40 40 GLY H H 18 8.678 8.678 8.191 0.487 17995
98 1 1 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.460 -0.332 17995
99 1 1 . 1 1 41 41 GLU C C 19 178.328 178.328 178.497 -0.169 17995
100 1 1 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.592 1.672 17995
101 1 1 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.036 -0.956 17995
102 1 1 . 1 1 42 42 ARG N N 20 118.936 118.936 120.456 -1.520 17995
103 1 1 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.118 0.057 17995
104 1 1 . 1 1 42 42 ARG C C 20 178.912 178.912 178.041 0.871 17995
105 1 1 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.684 -0.447 17995
106 1 1 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.059 -0.003 17995
107 1 1 . 1 1 42 42 ARG H H 20 7.979 7.979 7.871 0.108 17995
108 1 1 . 1 1 43 43 LYS N N 21 119.087 119.087 117.187 1.900 17995
109 1 1 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.142 -0.394 17995
110 1 1 . 1 1 43 43 LYS C C 21 176.559 176.559 178.236 -1.677 17995
111 1 1 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.958 0.140 17995
112 1 1 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.750 0.232 17995
113 1 1 . 1 1 43 43 LYS H H 21 7.719 7.719 8.276 -0.557 17995
114 1 1 . 1 1 44 44 HIS N N 22 115.571 115.571 116.821 -1.250 17995
115 1 1 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.674 -0.246 17995
116 1 1 . 1 1 44 44 HIS C C 22 176.288 176.288 175.414 0.874 17995
117 1 1 . 1 1 44 44 HIS CA C 22 57.784 57.784 56.996 0.788 17995
118 1 1 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.681 -0.211 17995
119 1 1 . 1 1 44 44 HIS H H 22 7.124 7.124 7.944 -0.820 17995
120 1 1 . 1 1 45 45 THR N N 23 107.890 107.890 114.514 -6.624 17995
121 1 1 . 1 1 45 45 THR HA H 23 4.355 4.355 4.184 0.171 17995
122 1 1 . 1 1 45 45 THR C C 23 174.650 174.650 174.188 0.462 17995
123 1 1 . 1 1 45 45 THR CA C 23 61.627 61.627 61.768 -0.141 17995
124 1 1 . 1 1 45 45 THR CB C 23 69.475 69.475 69.069 0.406 17995
125 1 1 . 1 1 45 45 THR H H 23 7.441 7.441 7.484 -0.043 17995
126 1 1 . 1 1 46 46 LEU N N 24 121.435 121.435 120.189 1.246 17995
127 1 1 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.847 -0.224 17995
128 1 1 . 1 1 46 46 LEU C C 24 176.537 176.537 175.660 0.877 17995
129 1 1 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.499 1.091 17995
130 1 1 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.665 -0.548 17995
131 1 1 . 1 1 46 46 LEU H H 24 7.059 7.059 7.191 -0.132 17995
132 1 1 . 1 1 47 47 THR N N 25 116.104 116.104 114.407 1.697 17995
133 1 1 . 1 1 47 47 THR HA H 25 4.605 4.605 4.561 0.044 17995
134 1 1 . 1 1 47 47 THR C C 25 175.526 175.526 175.455 0.071 17995
135 1 1 . 1 1 47 47 THR CA C 25 59.878 59.878 59.816 0.062 17995
136 1 1 . 1 1 47 47 THR CB C 25 71.752 71.752 71.501 0.251 17995
137 1 1 . 1 1 47 47 THR H H 25 9.432 9.432 7.903 1.529 17995
138 1 1 . 1 1 48 48 ALA N N 26 122.234 122.234 121.696 0.538 17995
139 1 1 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.170 -0.361 17995
140 1 1 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.236 0.357 17995
141 1 1 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.321 0.333 17995
142 1 1 . 1 1 48 48 ALA H H 26 9.142 9.142 8.386 0.756 17995
143 1 1 . 1 1 49 49 SER HA H 27 4.448 4.448 4.321 0.127 17995
144 1 1 . 1 1 49 49 SER C C 27 174.637 174.637 174.982 -0.345 17995
145 1 1 . 1 1 49 49 SER CA C 27 58.348 58.348 59.488 -1.140 17995
146 1 1 . 1 1 49 49 SER CB C 27 63.704 63.704 62.704 1.000 17995
147 1 1 . 1 1 50 50 SER N N 28 122.032 122.032 117.698 4.334 17995
148 1 1 . 1 1 50 50 SER HA H 28 4.269 4.269 4.484 -0.215 17995
149 1 1 . 1 1 50 50 SER C C 28 172.904 172.904 173.476 -0.572 17995
150 1 1 . 1 1 50 50 SER CA C 28 60.846 60.846 57.940 2.906 17995
151 1 1 . 1 1 50 50 SER CB C 28 63.063 63.063 63.777 -0.714 17995
152 1 1 . 1 1 50 50 SER H H 28 8.157 8.157 7.254 0.903 17995
153 1 1 . 1 1 51 51 VAL N N 29 127.079 127.079 124.466 2.613 17995
154 1 1 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.215 0.127 17995
155 1 1 . 1 1 51 51 VAL C C 29 176.612 176.612 175.592 1.020 17995
156 1 1 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.347 -0.899 17995
157 1 1 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.687 -0.462 17995
158 1 1 . 1 1 51 51 VAL H H 29 8.505 8.505 8.697 -0.192 17995
159 1 1 . 1 1 52 52 LEU N N 30 126.014 126.014 125.245 0.769 17995
160 1 1 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.601 0.194 17995
161 1 1 . 1 1 52 52 LEU C C 30 176.569 176.569 176.898 -0.329 17995
162 1 1 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.777 -1.245 17995
163 1 1 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.001 -1.996 17995
164 1 1 . 1 1 52 52 LEU H H 30 7.954 7.954 8.436 -0.482 17995
165 1 1 . 1 1 53 53 LEU N N 31 122.601 122.601 120.360 2.241 17995
166 1 1 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.002 0.084 17995
167 1 1 . 1 1 53 53 LEU C C 31 177.683 177.683 177.283 0.400 17995
168 1 1 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.781 0.593 17995
169 1 1 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.904 -0.084 17995
170 1 1 . 1 1 53 53 LEU H H 31 7.777 7.777 7.979 -0.202 17995
171 1 1 . 1 1 54 54 GLY N N 32 114.941 114.941 113.937 1.004 17995
172 1 1 . 1 1 54 54 GLY C C 32 173.612 173.612 174.170 -0.558 17995
173 1 1 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.583 -0.025 17995
174 1 1 . 1 1 54 54 GLY H H 32 9.121 9.121 8.776 0.345 17995
175 1 1 . 1 1 55 55 ASN N N 33 117.901 117.901 119.845 -1.944 17995
176 1 1 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.772 0.158 17995
177 1 1 . 1 1 55 55 ASN C C 33 174.458 174.458 175.922 -1.464 17995
178 1 1 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.331 -0.512 17995
179 1 1 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.319 2.228 17995
180 1 1 . 1 1 55 55 ASN H H 33 7.789 7.789 8.259 -0.470 17995
181 1 1 . 1 1 56 56 ILE N N 34 120.163 120.163 122.193 -2.030 17995
182 1 1 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.421 0.116 17995
183 1 1 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.140 -0.139 17995
184 1 1 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.263 1.830 17995
185 1 1 . 1 1 56 56 ILE H H 34 7.703 7.703 8.140 -0.437 17995
186 1 1 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.384 -0.211 17995
187 1 1 . 1 1 57 57 PRO C C 35 177.969 177.969 177.018 0.951 17995
188 1 1 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.662 0.615 17995
189 1 1 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.040 -0.106 17995
190 1 1 . 1 1 58 58 GLU N N 36 116.701 116.701 116.052 0.649 17995
191 1 1 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995
192 1 1 . 1 1 58 58 GLU C C 36 176.612 176.612 175.555 1.057 17995
193 1 1 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.888 3.459 17995
194 1 1 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.242 0.590 17995
195 1 1 . 1 1 58 58 GLU H H 36 9.581 9.581 8.262 1.319 17995
196 1 1 . 1 1 59 59 LEU N N 37 121.189 121.189 123.969 -2.780 17995
197 1 1 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.275 0.037 17995
198 1 1 . 1 1 59 59 LEU C C 37 173.353 173.353 175.944 -2.591 17995
199 1 1 . 1 1 59 59 LEU CA C 37 53.278 53.278 55.211 -1.933 17995
200 1 1 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.452 0.547 17995
201 1 1 . 1 1 59 59 LEU H H 37 7.560 7.560 7.256 0.304 17995
202 1 1 . 1 1 60 60 ASP N N 38 126.468 126.468 124.838 1.630 17995
203 1 1 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.760 -0.045 17995
204 1 1 . 1 1 60 60 ASP C C 38 175.828 175.828 176.502 -0.674 17995
205 1 1 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.252 -1.332 17995
206 1 1 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.293 -2.737 17995
207 1 1 . 1 1 60 60 ASP H H 38 7.527 7.527 7.564 -0.037 17995
208 1 1 . 1 1 61 61 SER N N 39 113.128 113.128 115.492 -2.364 17995
209 1 1 . 1 1 61 61 SER HA H 39 4.019 4.019 4.247 -0.228 17995
210 1 1 . 1 1 61 61 SER C C 39 175.854 175.854 176.711 -0.857 17995
211 1 1 . 1 1 61 61 SER CA C 39 61.276 61.276 61.589 -0.313 17995
212 1 1 . 1 1 61 61 SER CB C 39 65.520 65.520 62.956 2.564 17995
213 1 1 . 1 1 61 61 SER H H 39 8.623 8.623 8.513 0.110 17995
214 1 1 . 1 1 62 62 MET N N 40 121.706 121.706 119.418 2.288 17995
215 1 1 . 1 1 62 62 MET HA H 40 4.303 4.303 4.332 -0.029 17995
216 1 1 . 1 1 62 62 MET C C 40 177.755 177.755 177.979 -0.224 17995
217 1 1 . 1 1 62 62 MET CA C 40 57.714 57.714 56.936 0.778 17995
218 1 1 . 1 1 62 62 MET CB C 40 32.386 32.386 31.719 0.667 17995
219 1 1 . 1 1 62 62 MET H H 40 7.802 7.802 8.647 -0.845 17995
220 1 1 . 1 1 63 63 ALA N N 41 124.277 124.277 122.240 2.037 17995
221 1 1 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.113 0.058 17995
222 1 1 . 1 1 63 63 ALA C C 41 179.893 179.893 179.392 0.501 17995
223 1 1 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.724 0.378 17995
224 1 1 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.144 1.512 17995
225 1 1 . 1 1 63 63 ALA H H 41 8.295 8.295 7.983 0.312 17995
226 1 1 . 1 1 64 64 VAL N N 42 118.186 118.186 115.095 3.091 17995
227 1 1 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.399 -0.406 17995
228 1 1 . 1 1 64 64 VAL C C 42 177.327 177.327 177.482 -0.155 17995
229 1 1 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.663 1.649 17995
230 1 1 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.203 -0.011 17995
231 1 1 . 1 1 64 64 VAL H H 42 8.019 8.019 8.006 0.013 17995
232 1 1 . 1 1 65 65 VAL N N 43 118.361 118.361 121.219 -2.858 17995
233 1 1 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.459 0.105 17995
234 1 1 . 1 1 65 65 VAL C C 43 178.520 178.520 177.931 0.589 17995
235 1 1 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.538 0.019 17995
236 1 1 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.075 0.425 17995
237 1 1 . 1 1 65 65 VAL H H 43 6.942 6.942 7.440 -0.498 17995
238 1 1 . 1 1 66 66 ASN N N 44 119.476 119.476 117.988 1.488 17995
239 1 1 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.507 0.055 17995
240 1 1 . 1 1 66 66 ASN C C 44 178.760 178.760 177.926 0.834 17995
241 1 1 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.174 -0.338 17995
242 1 1 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.566 -0.759 17995
243 1 1 . 1 1 66 66 ASN H H 44 7.789 7.789 7.880 -0.091 17995
244 1 1 . 1 1 67 67 VAL N N 45 124.029 124.029 116.444 7.585 17995
245 1 1 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.836 -0.218 17995
246 1 1 . 1 1 67 67 VAL C C 45 177.100 177.100 177.971 -0.871 17995
247 1 1 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.963 1.403 17995
248 1 1 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.645 -0.185 17995
249 1 1 . 1 1 67 67 VAL H H 45 9.055 9.055 7.604 1.451 17995
250 1 1 . 1 1 68 68 ILE N N 46 121.006 121.006 122.003 -0.997 17995
251 1 1 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.767 0.021 17995
252 1 1 . 1 1 68 68 ILE C C 46 177.871 177.871 178.075 -0.204 17995
253 1 1 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.784 -0.522 17995
254 1 1 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.590 -1.423 17995
255 1 1 . 1 1 68 68 ILE H H 46 8.509 8.509 7.860 0.649 17995
256 1 1 . 1 1 69 69 THR N N 47 116.096 116.096 116.346 -0.250 17995
257 1 1 . 1 1 69 69 THR HA H 47 4.391 4.391 3.883 0.508 17995
258 1 1 . 1 1 69 69 THR C C 47 176.365 176.365 176.345 0.020 17995
259 1 1 . 1 1 69 69 THR CA C 47 66.256 66.256 67.137 -0.881 17995
260 1 1 . 1 1 69 69 THR CB C 47 69.098 69.098 68.642 0.456 17995
261 1 1 . 1 1 69 69 THR H H 47 8.512 8.512 7.861 0.651 17995
262 1 1 . 1 1 70 70 ALA N N 48 123.948 123.948 124.547 -0.599 17995
263 1 1 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.246 0.057 17995
264 1 1 . 1 1 70 70 ALA C C 48 181.452 181.452 179.724 1.728 17995
265 1 1 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.430 -0.247 17995
266 1 1 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.286 1.136 17995
267 1 1 . 1 1 70 70 ALA H H 48 7.802 7.802 7.923 -0.121 17995
268 1 1 . 1 1 71 71 LEU N N 49 121.199 121.199 119.360 1.839 17995
269 1 1 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.267 -0.044 17995
270 1 1 . 1 1 71 71 LEU C C 49 178.192 178.192 179.824 -1.632 17995
271 1 1 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.240 0.321 17995
272 1 1 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.922 1.529 17995
273 1 1 . 1 1 71 71 LEU H H 49 8.802 8.802 8.249 0.553 17995
274 1 1 . 1 1 72 72 GLU N N 50 119.782 119.782 118.434 1.348 17995
275 1 1 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.172 -0.682 17995
276 1 1 . 1 1 72 72 GLU C C 50 180.303 180.303 179.899 0.404 17995
277 1 1 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.167 0.684 17995
278 1 1 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.922 2.186 17995
279 1 1 . 1 1 72 72 GLU H H 50 8.762 8.762 8.114 0.648 17995
280 1 1 . 1 1 73 73 GLU N N 51 116.902 116.902 119.929 -3.027 17995
281 1 1 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.074 -0.022 17995
282 1 1 . 1 1 73 73 GLU C C 51 178.334 178.334 179.380 -1.046 17995
283 1 1 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.976 -0.358 17995
284 1 1 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.376 0.706 17995
285 1 1 . 1 1 73 73 GLU H H 51 7.953 7.953 7.974 -0.021 17995
286 1 1 . 1 1 74 74 TYR N N 52 119.999 119.999 117.785 2.214 17995
287 1 1 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.272 -0.390 17995
288 1 1 . 1 1 74 74 TYR C C 52 177.384 177.384 178.146 -0.762 17995
289 1 1 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.107 0.493 17995
290 1 1 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.675 0.970 17995
291 1 1 . 1 1 74 74 TYR H H 52 8.078 8.078 8.095 -0.017 17995
292 1 1 . 1 1 75 75 PHE N N 53 113.650 113.650 114.987 -1.337 17995
293 1 1 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.443 -0.257 17995
294 1 1 . 1 1 75 75 PHE C C 53 174.485 174.485 175.555 -1.070 17995
295 1 1 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.863 0.381 17995
296 1 1 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.132 0.908 17995
297 1 1 . 1 1 75 75 PHE H H 53 8.244 8.244 8.199 0.045 17995
298 1 1 . 1 1 76 76 ASP N N 54 119.712 119.712 117.884 1.828 17995
299 1 1 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.465 -0.085 17995
300 1 1 . 1 1 76 76 ASP C C 54 174.118 174.118 175.395 -1.277 17995
301 1 1 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.715 -0.852 17995
302 1 1 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.992 0.164 17995
303 1 1 . 1 1 76 76 ASP H H 54 7.596 7.596 8.221 -0.625 17995
304 1 1 . 1 1 77 77 PHE N N 55 113.804 113.804 115.591 -1.787 17995
305 1 1 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.949 0.126 17995
306 1 1 . 1 1 77 77 PHE C C 55 174.384 174.384 173.702 0.682 17995
307 1 1 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.705 -1.269 17995
308 1 1 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.087 -0.457 17995
309 1 1 . 1 1 77 77 PHE H H 55 7.725 7.725 8.101 -0.376 17995
310 1 1 . 1 1 78 78 SER N N 56 114.319 114.319 115.469 -1.150 17995
311 1 1 . 1 1 78 78 SER HA H 56 5.149 5.149 4.482 0.667 17995
312 1 1 . 1 1 78 78 SER C C 56 174.100 174.100 172.835 1.265 17995
313 1 1 . 1 1 78 78 SER CA C 56 56.800 56.800 55.875 0.925 17995
314 1 1 . 1 1 78 78 SER CB C 56 65.011 65.011 64.458 0.553 17995
315 1 1 . 1 1 78 78 SER H H 56 8.727 8.727 8.042 0.685 17995
316 1 1 . 1 1 79 79 VAL N N 57 128.316 128.316 127.249 1.067 17995
317 1 1 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.812 0.432 17995
318 1 1 . 1 1 79 79 VAL C C 57 175.637 175.637 175.743 -0.106 17995
319 1 1 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.569 -0.814 17995
320 1 1 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.091 0.782 17995
321 1 1 . 1 1 79 79 VAL H H 57 10.222 10.222 8.064 2.158 17995
322 1 1 . 1 1 80 80 ASP N N 58 130.058 130.058 126.353 3.705 17995
323 1 1 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.492 0.354 17995
324 1 1 . 1 1 80 80 ASP C C 58 177.205 177.205 177.246 -0.041 17995
325 1 1 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.634 -1.158 17995
326 1 1 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.006 -0.341 17995
327 1 1 . 1 1 80 80 ASP H H 58 9.396 9.396 8.149 1.247 17995
328 1 1 . 1 1 81 81 ASP N N 59 122.564 122.564 125.090 -2.526 17995
329 1 1 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.361 -0.081 17995
330 1 1 . 1 1 81 81 ASP C C 59 177.291 177.291 177.361 -0.070 17995
331 1 1 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.825 0.635 17995
332 1 1 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.051 -0.321 17995
333 1 1 . 1 1 81 81 ASP H H 59 8.696 8.696 8.782 -0.086 17995
334 1 1 . 1 1 82 82 ASP N N 60 115.817 115.817 118.308 -2.491 17995
335 1 1 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.552 0.007 17995
336 1 1 . 1 1 82 82 ASP C C 60 176.939 176.939 176.579 0.360 17995
337 1 1 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.749 -0.888 17995
338 1 1 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.913 -0.498 17995
339 1 1 . 1 1 82 82 ASP H H 60 8.460 8.460 8.134 0.326 17995
340 1 1 . 1 1 83 83 GLU N N 61 118.478 118.478 116.704 1.774 17995
341 1 1 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.368 -0.067 17995
342 1 1 . 1 1 83 83 GLU C C 61 175.841 175.841 176.349 -0.508 17995
343 1 1 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.025 1.279 17995
344 1 1 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.977 0.514 17995
345 1 1 . 1 1 83 83 GLU H H 61 7.903 7.903 7.632 0.271 17995
346 1 1 . 1 1 84 84 ILE N N 62 117.759 117.759 122.033 -4.274 17995
347 1 1 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.844 0.321 17995
348 1 1 . 1 1 84 84 ILE C C 62 174.069 174.069 175.193 -1.124 17995
349 1 1 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.076 -2.582 17995
350 1 1 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.299 1.836 17995
351 1 1 . 1 1 84 84 ILE H H 62 7.396 7.396 7.281 0.115 17995
352 1 1 . 1 1 85 85 SER N N 63 119.980 119.980 121.664 -1.684 17995
353 1 1 . 1 1 85 85 SER HA H 63 4.789 4.789 4.715 0.074 17995
354 1 1 . 1 1 85 85 SER CA C 63 56.772 56.772 55.966 0.806 17995
355 1 1 . 1 1 85 85 SER CB C 63 66.916 66.916 65.869 1.047 17995
356 1 1 . 1 1 85 85 SER H H 63 8.384 8.384 8.264 0.120 17995
357 1 1 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.325 -0.298 17995
358 1 1 . 1 1 86 86 ALA C C 64 180.211 180.211 179.942 0.269 17995
359 1 1 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.776 0.725 17995
360 1 1 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.768 -0.758 17995
361 1 1 . 1 1 87 87 GLN N N 65 116.123 116.123 116.194 -0.071 17995
362 1 1 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.180 -0.115 17995
363 1 1 . 1 1 87 87 GLN C C 65 178.564 178.564 178.179 0.385 17995
364 1 1 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.385 1.354 17995
365 1 1 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.933 0.510 17995
366 1 1 . 1 1 87 87 GLN H H 65 7.990 7.990 8.030 -0.040 17995
367 1 1 . 1 1 88 88 THR N N 66 119.153 119.153 116.295 2.858 17995
368 1 1 . 1 1 88 88 THR HA H 66 3.631 3.631 4.121 -0.490 17995
369 1 1 . 1 1 88 88 THR C C 66 174.748 174.748 174.504 0.244 17995
370 1 1 . 1 1 88 88 THR CA C 66 66.591 66.591 65.411 1.180 17995
371 1 1 . 1 1 88 88 THR CB C 66 68.702 68.702 68.774 -0.072 17995
372 1 1 . 1 1 88 88 THR H H 66 7.738 7.738 7.389 0.349 17995
373 1 1 . 1 1 89 89 PHE N N 67 115.088 115.088 116.452 -1.364 17995
374 1 1 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.733 -0.496 17995
375 1 1 . 1 1 89 89 PHE C C 67 173.600 173.600 176.431 -2.831 17995
376 1 1 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.567 -0.045 17995
377 1 1 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.452 1.254 17995
378 1 1 . 1 1 89 89 PHE H H 67 7.180 7.180 7.649 -0.469 17995
379 1 1 . 1 1 90 90 GLU N N 68 122.222 122.222 119.972 2.250 17995
380 1 1 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.107 0.060 17995
381 1 1 . 1 1 90 90 GLU C C 68 178.581 178.581 176.709 1.872 17995
382 1 1 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.730 0.997 17995
383 1 1 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.831 0.917 17995
384 1 1 . 1 1 90 90 GLU H H 68 7.421 7.421 7.847 -0.426 17995
385 1 1 . 1 1 91 91 THR N N 69 106.383 106.383 106.934 -0.551 17995
386 1 1 . 1 1 91 91 THR HA H 69 5.477 5.477 4.907 0.570 17995
387 1 1 . 1 1 91 91 THR C C 69 174.775 174.775 174.440 0.335 17995
388 1 1 . 1 1 91 91 THR CA C 69 58.798 58.798 59.042 -0.244 17995
389 1 1 . 1 1 91 91 THR CB C 69 74.841 74.841 72.946 1.895 17995
390 1 1 . 1 1 91 91 THR H H 69 8.534 8.534 7.218 1.316 17995
391 1 1 . 1 1 92 92 LEU N N 70 120.326 120.326 122.187 -1.861 17995
392 1 1 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.200 -0.057 17995
393 1 1 . 1 1 92 92 LEU C C 70 178.174 178.174 178.211 -0.037 17995
394 1 1 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.109 1.157 17995
395 1 1 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.065 -1.195 17995
396 1 1 . 1 1 92 92 LEU H H 70 7.991 7.991 8.543 -0.552 17995
397 1 1 . 1 1 93 93 GLY N N 71 106.588 106.588 105.243 1.345 17995
398 1 1 . 1 1 93 93 GLY C C 71 175.300 175.300 176.082 -0.782 17995
399 1 1 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.249 0.088 17995
400 1 1 . 1 1 93 93 GLY H H 71 9.019 9.019 8.497 0.522 17995
401 1 1 . 1 1 94 94 SER N N 72 120.200 120.200 118.430 1.770 17995
402 1 1 . 1 1 94 94 SER HA H 72 4.090 4.090 4.141 -0.051 17995
403 1 1 . 1 1 94 94 SER C C 72 177.631 177.631 176.229 1.402 17995
404 1 1 . 1 1 94 94 SER CA C 72 62.329 62.329 62.384 -0.055 17995
405 1 1 . 1 1 94 94 SER H H 72 8.709 8.709 7.416 1.293 17995
406 1 1 . 1 1 95 95 LEU N N 73 129.169 129.169 121.521 7.648 17995
407 1 1 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.079 0.161 17995
408 1 1 . 1 1 95 95 LEU C C 73 176.439 176.439 178.958 -2.519 17995
409 1 1 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.433 0.369 17995
410 1 1 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.377 1.482 17995
411 1 1 . 1 1 95 95 LEU H H 73 7.800 7.800 7.507 0.293 17995
412 1 1 . 1 1 96 96 ALA N N 74 121.721 121.721 121.929 -0.208 17995
413 1 1 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.943 0.046 17995
414 1 1 . 1 1 96 96 ALA C C 74 180.456 180.456 179.796 0.660 17995
415 1 1 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.136 0.566 17995
416 1 1 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.392 -0.676 17995
417 1 1 . 1 1 96 96 ALA H H 74 8.612 8.612 8.078 0.534 17995
418 1 1 . 1 1 97 97 LEU N N 75 122.095 122.095 119.246 2.849 17995
419 1 1 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.739 0.318 17995
420 1 1 . 1 1 97 97 LEU C C 75 178.805 178.805 179.036 -0.231 17995
421 1 1 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.609 0.160 17995
422 1 1 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.663 1.159 17995
423 1 1 . 1 1 97 97 LEU H H 75 8.777 8.777 7.942 0.835 17995
424 1 1 . 1 1 98 98 PHE N N 76 122.741 122.741 117.870 4.871 17995
425 1 1 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.320 -0.058 17995
426 1 1 . 1 1 98 98 PHE C C 76 176.878 176.878 178.740 -1.862 17995
427 1 1 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.024 -0.792 17995
428 1 1 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.291 0.258 17995
429 1 1 . 1 1 98 98 PHE H H 76 7.889 7.889 8.147 -0.258 17995
430 1 1 . 1 1 99 99 VAL N N 77 119.641 119.641 115.872 3.769 17995
431 1 1 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.739 -0.961 17995
432 1 1 . 1 1 99 99 VAL C C 77 176.414 176.414 177.738 -1.324 17995
433 1 1 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.430 0.538 17995
434 1 1 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.390 0.796 17995
435 1 1 . 1 1 99 99 VAL H H 77 7.599 7.599 8.248 -0.649 17995
436 1 1 . 1 1 100 100 GLU N N 78 118.850 118.850 119.467 -0.617 17995
437 1 1 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.159 -0.386 17995
438 1 1 . 1 1 100 100 GLU C C 78 179.007 179.007 178.572 0.435 17995
439 1 1 . 1 1 100 100 GLU CA C 78 59.540 59.540 58.738 0.802 17995
440 1 1 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.462 0.316 17995
441 1 1 . 1 1 100 100 GLU H H 78 7.740 7.740 7.754 -0.014 17995
442 1 1 . 1 1 101 101 HIS N N 79 120.328 120.328 117.957 2.371 17995
443 1 1 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.590 -0.389 17995
444 1 1 . 1 1 101 101 HIS C C 79 178.242 178.242 177.608 0.634 17995
445 1 1 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.776 0.462 17995
446 1 1 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.767 0.171 17995
447 1 1 . 1 1 101 101 HIS H H 79 8.354 8.354 7.976 0.378 17995
448 1 1 . 1 1 102 102 LYS N N 80 121.044 121.044 120.424 0.620 17995
449 1 1 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.277 -0.710 17995
450 1 1 . 1 1 102 102 LYS C C 80 179.199 179.199 179.020 0.179 17995
451 1 1 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.646 -1.659 17995
452 1 1 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.224 -2.048 17995
453 1 1 . 1 1 102 102 LYS H H 80 7.908 7.908 7.964 -0.056 17995
454 1 1 . 1 1 103 103 LEU N N 81 118.698 118.698 118.556 0.142 17995
455 1 1 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.312 -0.154 17995
456 1 1 . 1 1 103 103 LEU C C 81 178.593 178.593 178.517 0.076 17995
457 1 1 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.705 -0.309 17995
458 1 1 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.166 1.143 17995
459 1 1 . 1 1 103 103 LEU H H 81 7.784 7.784 7.979 -0.195 17995
460 1 1 . 1 1 104 104 SER N N 82 114.826 114.826 112.685 2.141 17995
461 1 1 . 1 1 104 104 SER HA H 82 4.358 4.358 4.446 -0.088 17995
462 1 1 . 1 1 104 104 SER C C 82 174.810 174.810 174.533 0.277 17995
463 1 1 . 1 1 104 104 SER CA C 82 59.567 59.567 59.788 -0.221 17995
464 1 1 . 1 1 104 104 SER CB C 82 63.859 63.859 63.988 -0.129 17995
465 1 1 . 1 1 104 104 SER H H 82 7.738 7.738 8.242 -0.504 17995
466 1 2 . 1 1 24 24 GLN N N 2 121.730 121.730 120.768 0.962 17995
467 1 2 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.342 -0.380 17995
468 1 2 . 1 1 24 24 GLN C C 2 177.291 177.291 177.579 -0.288 17995
469 1 2 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.387 1.004 17995
470 1 2 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.295 -0.585 17995
471 1 2 . 1 1 24 24 GLN H H 2 8.511 8.511 9.140 -0.629 17995
472 1 2 . 1 1 25 25 HIS N N 3 116.878 116.878 119.734 -2.856 17995
473 1 2 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.735 0.368 17995
474 1 2 . 1 1 25 25 HIS C C 3 175.501 175.501 177.618 -2.117 17995
475 1 2 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.422 -2.075 17995
476 1 2 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.823 0.804 17995
477 1 2 . 1 1 25 25 HIS H H 3 8.216 8.216 8.280 -0.064 17995
478 1 2 . 1 1 26 26 LEU N N 4 121.540 121.540 118.781 2.759 17995
479 1 2 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.110 -0.417 17995
480 1 2 . 1 1 26 26 LEU C C 4 177.649 177.649 178.401 -0.752 17995
481 1 2 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.109 1.594 17995
482 1 2 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.272 1.063 17995
483 1 2 . 1 1 26 26 LEU H H 4 7.447 7.447 8.053 -0.606 17995
484 1 2 . 1 1 27 27 GLU N N 5 118.441 118.441 118.975 -0.534 17995
485 1 2 . 1 1 27 27 GLU HA H 5 3.891 3.891 4.070 -0.179 17995
486 1 2 . 1 1 27 27 GLU C C 5 178.162 178.162 178.393 -0.231 17995
487 1 2 . 1 1 27 27 GLU CA C 5 59.622 59.622 58.784 0.838 17995
488 1 2 . 1 1 27 27 GLU CB C 5 29.077 29.077 28.828 0.249 17995
489 1 2 . 1 1 27 27 GLU H H 5 8.561 8.561 7.907 0.654 17995
490 1 2 . 1 1 28 28 ALA N N 6 122.005 122.005 122.321 -0.316 17995
491 1 2 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.204 -0.072 17995
492 1 2 . 1 1 28 28 ALA C C 6 180.421 180.421 180.040 0.381 17995
493 1 2 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.674 0.605 17995
494 1 2 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.408 0.358 17995
495 1 2 . 1 1 28 28 ALA H H 6 8.205 8.205 7.693 0.512 17995
496 1 2 . 1 1 29 29 VAL N N 7 116.985 116.985 120.036 -3.051 17995
497 1 2 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.694 -0.185 17995
498 1 2 . 1 1 29 29 VAL C C 7 177.034 177.034 177.680 -0.646 17995
499 1 2 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.671 -0.308 17995
500 1 2 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.664 -0.225 17995
501 1 2 . 1 1 29 29 VAL H H 7 8.392 8.392 7.996 0.396 17995
502 1 2 . 1 1 30 30 ARG N N 8 121.674 121.674 119.224 2.450 17995
503 1 2 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.060 -0.396 17995
504 1 2 . 1 1 30 30 ARG C C 8 177.810 177.810 178.449 -0.639 17995
505 1 2 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.255 1.270 17995
506 1 2 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.434 1.232 17995
507 1 2 . 1 1 30 30 ARG H H 8 8.784 8.784 8.299 0.485 17995
508 1 2 . 1 1 31 31 ASN N N 9 118.102 118.102 118.730 -0.628 17995
509 1 2 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.524 -0.240 17995
510 1 2 . 1 1 31 31 ASN C C 9 177.890 177.890 177.194 0.696 17995
511 1 2 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.062 0.193 17995
512 1 2 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.219 -0.631 17995
513 1 2 . 1 1 31 31 ASN H H 9 8.144 8.144 7.913 0.231 17995
514 1 2 . 1 1 32 32 ILE N N 10 123.614 123.614 120.411 3.203 17995
515 1 2 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.617 0.175 17995
516 1 2 . 1 1 32 32 ILE C C 10 177.810 177.810 177.740 0.070 17995
517 1 2 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.258 0.000 17995
518 1 2 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.032 0.702 17995
519 1 2 . 1 1 32 32 ILE H H 10 8.137 8.137 7.758 0.379 17995
520 1 2 . 1 1 33 33 LEU N N 11 119.797 119.797 119.591 0.206 17995
521 1 2 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.995 -0.209 17995
522 1 2 . 1 1 33 33 LEU C C 11 179.039 179.039 179.468 -0.429 17995
523 1 2 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.978 0.732 17995
524 1 2 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.356 0.720 17995
525 1 2 . 1 1 33 33 LEU H H 11 8.637 8.637 8.443 0.194 17995
526 1 2 . 1 1 34 34 GLY N N 12 103.682 103.682 105.688 -2.006 17995
527 1 2 . 1 1 34 34 GLY C C 12 175.242 175.242 175.399 -0.157 17995
528 1 2 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.781 0.937 17995
529 1 2 . 1 1 34 34 GLY H H 12 8.513 8.513 8.277 0.236 17995
530 1 2 . 1 1 35 35 ASP N N 13 122.235 122.235 121.718 0.517 17995
531 1 2 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.622 -0.037 17995
532 1 2 . 1 1 35 35 ASP C C 13 179.013 179.013 178.016 0.997 17995
533 1 2 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.437 0.479 17995
534 1 2 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.365 -0.319 17995
535 1 2 . 1 1 35 35 ASP H H 13 7.968 7.968 7.718 0.250 17995
536 1 2 . 1 1 36 36 VAL N N 14 120.841 120.841 120.080 0.761 17995
537 1 2 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.884 -0.207 17995
538 1 2 . 1 1 36 36 VAL C C 14 177.797 177.797 177.745 0.052 17995
539 1 2 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.479 0.525 17995
540 1 2 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.220 0.012 17995
541 1 2 . 1 1 36 36 VAL H H 14 8.765 8.765 8.154 0.611 17995
542 1 2 . 1 1 37 37 LEU N N 15 114.630 114.630 115.575 -0.945 17995
543 1 2 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.407 -0.126 17995
544 1 2 . 1 1 37 37 LEU C C 15 175.483 175.483 176.394 -0.911 17995
545 1 2 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.435 -0.265 17995
546 1 2 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.172 -0.478 17995
547 1 2 . 1 1 37 37 LEU H H 15 7.942 7.942 7.845 0.097 17995
548 1 2 . 1 1 38 38 ASN N N 16 116.887 116.887 117.226 -0.339 17995
549 1 2 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.540 -0.006 17995
550 1 2 . 1 1 38 38 ASN C C 16 175.668 175.668 174.743 0.925 17995
551 1 2 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.947 -0.027 17995
552 1 2 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.365 -0.507 17995
553 1 2 . 1 1 38 38 ASN H H 16 7.561 7.561 7.961 -0.400 17995
554 1 2 . 1 1 39 39 LEU N N 17 114.676 114.676 120.618 -5.942 17995
555 1 2 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.352 -0.282 17995
556 1 2 . 1 1 39 39 LEU C C 17 178.415 178.415 178.013 0.402 17995
557 1 2 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.796 -0.052 17995
558 1 2 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.714 0.562 17995
559 1 2 . 1 1 39 39 LEU H H 17 8.233 8.233 8.056 0.177 17995
560 1 2 . 1 1 40 40 GLY N N 18 109.665 109.665 107.857 1.808 17995
561 1 2 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.941 -0.636 17995
562 1 2 . 1 1 40 40 GLY H H 18 8.678 8.678 7.827 0.851 17995
563 1 2 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.398 -0.270 17995
564 1 2 . 1 1 41 41 GLU C C 19 178.328 178.328 177.455 0.873 17995
565 1 2 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.811 1.453 17995
566 1 2 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.783 -0.703 17995
567 1 2 . 1 1 42 42 ARG N N 20 118.936 118.936 121.383 -2.447 17995
568 1 2 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.078 0.097 17995
569 1 2 . 1 1 42 42 ARG C C 20 178.912 178.912 177.540 1.372 17995
570 1 2 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.824 -0.587 17995
571 1 2 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.069 -0.013 17995
572 1 2 . 1 1 42 42 ARG H H 20 7.979 7.979 7.803 0.176 17995
573 1 2 . 1 1 43 43 LYS N N 21 119.087 119.087 115.780 3.307 17995
574 1 2 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.149 -0.401 17995
575 1 2 . 1 1 43 43 LYS C C 21 176.559 176.559 178.065 -1.506 17995
576 1 2 . 1 1 43 43 LYS CA C 21 59.098 59.098 59.170 -0.072 17995
577 1 2 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.535 0.446 17995
578 1 2 . 1 1 43 43 LYS H H 21 7.719 7.719 8.152 -0.433 17995
579 1 2 . 1 1 44 44 HIS N N 22 115.571 115.571 118.055 -2.484 17995
580 1 2 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.498 -0.070 17995
581 1 2 . 1 1 44 44 HIS C C 22 176.288 176.288 177.211 -0.923 17995
582 1 2 . 1 1 44 44 HIS CA C 22 57.784 57.784 59.306 -1.522 17995
583 1 2 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.195 0.275 17995
584 1 2 . 1 1 44 44 HIS H H 22 7.124 7.124 7.447 -0.323 17995
585 1 2 . 1 1 45 45 THR N N 23 107.890 107.890 114.592 -6.702 17995
586 1 2 . 1 1 45 45 THR HA H 23 4.355 4.355 4.136 0.219 17995
587 1 2 . 1 1 45 45 THR C C 23 174.650 174.650 174.400 0.250 17995
588 1 2 . 1 1 45 45 THR CA C 23 61.627 61.627 63.208 -1.581 17995
589 1 2 . 1 1 45 45 THR CB C 23 69.475 69.475 69.067 0.408 17995
590 1 2 . 1 1 45 45 THR H H 23 7.441 7.441 7.857 -0.416 17995
591 1 2 . 1 1 46 46 LEU N N 24 121.435 121.435 118.530 2.905 17995
592 1 2 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.719 -0.096 17995
593 1 2 . 1 1 46 46 LEU C C 24 176.537 176.537 175.706 0.831 17995
594 1 2 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.167 1.423 17995
595 1 2 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.584 -0.467 17995
596 1 2 . 1 1 46 46 LEU H H 24 7.059 7.059 7.154 -0.095 17995
597 1 2 . 1 1 47 47 THR N N 25 116.104 116.104 112.054 4.050 17995
598 1 2 . 1 1 47 47 THR HA H 25 4.605 4.605 4.569 0.036 17995
599 1 2 . 1 1 47 47 THR C C 25 175.526 175.526 175.873 -0.347 17995
600 1 2 . 1 1 47 47 THR CA C 25 59.878 59.878 59.621 0.257 17995
601 1 2 . 1 1 47 47 THR CB C 25 71.752 71.752 71.199 0.553 17995
602 1 2 . 1 1 47 47 THR H H 25 9.432 9.432 7.752 1.680 17995
603 1 2 . 1 1 48 48 ALA N N 26 122.234 122.234 122.107 0.127 17995
604 1 2 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.143 -0.334 17995
605 1 2 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.968 0.625 17995
606 1 2 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.530 0.124 17995
607 1 2 . 1 1 48 48 ALA H H 26 9.142 9.142 8.587 0.555 17995
608 1 2 . 1 1 49 49 SER HA H 27 4.448 4.448 4.401 0.047 17995
609 1 2 . 1 1 49 49 SER C C 27 174.637 174.637 174.362 0.275 17995
610 1 2 . 1 1 49 49 SER CA C 27 58.348 58.348 59.089 -0.741 17995
611 1 2 . 1 1 49 49 SER CB C 27 63.704 63.704 62.652 1.052 17995
612 1 2 . 1 1 50 50 SER N N 28 122.032 122.032 117.994 4.038 17995
613 1 2 . 1 1 50 50 SER HA H 28 4.269 4.269 4.419 -0.150 17995
614 1 2 . 1 1 50 50 SER C C 28 172.904 172.904 173.737 -0.833 17995
615 1 2 . 1 1 50 50 SER CA C 28 60.846 60.846 57.910 2.936 17995
616 1 2 . 1 1 50 50 SER CB C 28 63.063 63.063 63.727 -0.664 17995
617 1 2 . 1 1 50 50 SER H H 28 8.157 8.157 7.407 0.750 17995
618 1 2 . 1 1 51 51 VAL N N 29 127.079 127.079 126.920 0.159 17995
619 1 2 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.227 0.115 17995
620 1 2 . 1 1 51 51 VAL C C 29 176.612 176.612 175.760 0.852 17995
621 1 2 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.956 -0.508 17995
622 1 2 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.184 0.041 17995
623 1 2 . 1 1 51 51 VAL H H 29 8.505 8.505 8.557 -0.052 17995
624 1 2 . 1 1 52 52 LEU N N 30 126.014 126.014 125.640 0.374 17995
625 1 2 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.564 0.231 17995
626 1 2 . 1 1 52 52 LEU C C 30 176.569 176.569 177.379 -0.810 17995
627 1 2 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.651 -1.119 17995
628 1 2 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.828 -1.825 17995
629 1 2 . 1 1 52 52 LEU H H 30 7.954 7.954 8.401 -0.447 17995
630 1 2 . 1 1 53 53 LEU N N 31 122.601 122.601 119.103 3.498 17995
631 1 2 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.914 0.172 17995
632 1 2 . 1 1 53 53 LEU C C 31 177.683 177.683 178.143 -0.460 17995
633 1 2 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.572 0.802 17995
634 1 2 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.307 0.512 17995
635 1 2 . 1 1 53 53 LEU H H 31 7.777 7.777 7.644 0.133 17995
636 1 2 . 1 1 54 54 GLY N N 32 114.941 114.941 114.029 0.912 17995
637 1 2 . 1 1 54 54 GLY C C 32 173.612 173.612 174.308 -0.696 17995
638 1 2 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.705 -0.147 17995
639 1 2 . 1 1 54 54 GLY H H 32 9.121 9.121 9.027 0.094 17995
640 1 2 . 1 1 55 55 ASN N N 33 117.901 117.901 120.299 -2.398 17995
641 1 2 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.721 0.209 17995
642 1 2 . 1 1 55 55 ASN C C 33 174.458 174.458 176.400 -1.942 17995
643 1 2 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.627 -0.808 17995
644 1 2 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.449 2.098 17995
645 1 2 . 1 1 55 55 ASN H H 33 7.789 7.789 7.783 0.006 17995
646 1 2 . 1 1 56 56 ILE N N 34 120.163 120.163 122.293 -2.130 17995
647 1 2 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.360 0.177 17995
648 1 2 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.072 -0.071 17995
649 1 2 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.122 1.971 17995
650 1 2 . 1 1 56 56 ILE H H 34 7.703 7.703 8.066 -0.363 17995
651 1 2 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.431 -0.258 17995
652 1 2 . 1 1 57 57 PRO C C 35 177.969 177.969 176.771 1.198 17995
653 1 2 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.430 0.846 17995
654 1 2 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.046 -0.112 17995
655 1 2 . 1 1 58 58 GLU N N 36 116.701 116.701 116.625 0.076 17995
656 1 2 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.462 -0.490 17995
657 1 2 . 1 1 58 58 GLU C C 36 176.612 176.612 175.311 1.301 17995
658 1 2 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.931 3.416 17995
659 1 2 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.575 0.257 17995
660 1 2 . 1 1 58 58 GLU H H 36 9.581 9.581 8.323 1.258 17995
661 1 2 . 1 1 59 59 LEU N N 37 121.189 121.189 124.394 -3.205 17995
662 1 2 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.264 0.048 17995
663 1 2 . 1 1 59 59 LEU C C 37 173.353 173.353 175.441 -2.088 17995
664 1 2 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.597 -1.319 17995
665 1 2 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.373 -0.374 17995
666 1 2 . 1 1 59 59 LEU H H 37 7.560 7.560 7.369 0.191 17995
667 1 2 . 1 1 60 60 ASP N N 38 126.468 126.468 123.513 2.955 17995
668 1 2 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.798 -0.083 17995
669 1 2 . 1 1 60 60 ASP C C 38 175.828 175.828 176.635 -0.807 17995
670 1 2 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.118 -1.198 17995
671 1 2 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.541 -0.985 17995
672 1 2 . 1 1 60 60 ASP H H 38 7.527 7.527 7.787 -0.260 17995
673 1 2 . 1 1 61 61 SER N N 39 113.128 113.128 113.441 -0.313 17995
674 1 2 . 1 1 61 61 SER HA H 39 4.019 4.019 4.147 -0.128 17995
675 1 2 . 1 1 61 61 SER C C 39 175.854 175.854 176.894 -1.040 17995
676 1 2 . 1 1 61 61 SER CA C 39 61.276 61.276 60.964 0.312 17995
677 1 2 . 1 1 61 61 SER CB C 39 65.520 65.520 62.972 2.548 17995
678 1 2 . 1 1 61 61 SER H H 39 8.623 8.623 8.478 0.145 17995
679 1 2 . 1 1 62 62 MET N N 40 121.706 121.706 120.410 1.296 17995
680 1 2 . 1 1 62 62 MET HA H 40 4.303 4.303 4.249 0.054 17995
681 1 2 . 1 1 62 62 MET C C 40 177.755 177.755 178.140 -0.385 17995
682 1 2 . 1 1 62 62 MET CA C 40 57.714 57.714 56.471 1.244 17995
683 1 2 . 1 1 62 62 MET CB C 40 32.386 32.386 31.165 1.221 17995
684 1 2 . 1 1 62 62 MET H H 40 7.802 7.802 7.999 -0.197 17995
685 1 2 . 1 1 63 63 ALA N N 41 124.277 124.277 120.789 3.488 17995
686 1 2 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.139 0.032 17995
687 1 2 . 1 1 63 63 ALA C C 41 179.893 179.893 179.042 0.851 17995
688 1 2 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.777 0.324 17995
689 1 2 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.955 1.701 17995
690 1 2 . 1 1 63 63 ALA H H 41 8.295 8.295 7.945 0.350 17995
691 1 2 . 1 1 64 64 VAL N N 42 118.186 118.186 116.042 2.144 17995
692 1 2 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.287 -0.294 17995
693 1 2 . 1 1 64 64 VAL C C 42 177.327 177.327 177.217 0.110 17995
694 1 2 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.323 1.989 17995
695 1 2 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.168 0.024 17995
696 1 2 . 1 1 64 64 VAL H H 42 8.019 8.019 7.319 0.700 17995
697 1 2 . 1 1 65 65 VAL N N 43 118.361 118.361 121.200 -2.839 17995
698 1 2 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.468 0.096 17995
699 1 2 . 1 1 65 65 VAL C C 43 178.520 178.520 178.146 0.374 17995
700 1 2 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.437 0.120 17995
701 1 2 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.149 0.351 17995
702 1 2 . 1 1 65 65 VAL H H 43 6.942 6.942 7.345 -0.403 17995
703 1 2 . 1 1 66 66 ASN N N 44 119.476 119.476 118.209 1.267 17995
704 1 2 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.447 0.115 17995
705 1 2 . 1 1 66 66 ASN C C 44 178.760 178.760 178.070 0.690 17995
706 1 2 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.333 -0.497 17995
707 1 2 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.278 -0.471 17995
708 1 2 . 1 1 66 66 ASN H H 44 7.789 7.789 7.789 0.000 17995
709 1 2 . 1 1 67 67 VAL N N 45 124.029 124.029 116.656 7.373 17995
710 1 2 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.845 -0.227 17995
711 1 2 . 1 1 67 67 VAL C C 45 177.100 177.100 177.982 -0.882 17995
712 1 2 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.082 1.284 17995
713 1 2 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.594 -0.134 17995
714 1 2 . 1 1 67 67 VAL H H 45 9.055 9.055 7.657 1.398 17995
715 1 2 . 1 1 68 68 ILE N N 46 121.006 121.006 121.623 -0.617 17995
716 1 2 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.690 0.098 17995
717 1 2 . 1 1 68 68 ILE C C 46 177.871 177.871 178.146 -0.275 17995
718 1 2 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.588 -0.326 17995
719 1 2 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.521 -1.354 17995
720 1 2 . 1 1 68 68 ILE H H 46 8.509 8.509 7.935 0.574 17995
721 1 2 . 1 1 69 69 THR N N 47 116.096 116.096 116.467 -0.371 17995
722 1 2 . 1 1 69 69 THR HA H 47 4.391 4.391 3.948 0.443 17995
723 1 2 . 1 1 69 69 THR C C 47 176.365 176.365 176.357 0.008 17995
724 1 2 . 1 1 69 69 THR CA C 47 66.256 66.256 66.880 -0.624 17995
725 1 2 . 1 1 69 69 THR CB C 47 69.098 69.098 68.322 0.776 17995
726 1 2 . 1 1 69 69 THR H H 47 8.512 8.512 7.949 0.563 17995
727 1 2 . 1 1 70 70 ALA N N 48 123.948 123.948 124.310 -0.362 17995
728 1 2 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.245 0.058 17995
729 1 2 . 1 1 70 70 ALA C C 48 181.452 181.452 180.004 1.448 17995
730 1 2 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.267 -0.083 17995
731 1 2 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.230 1.192 17995
732 1 2 . 1 1 70 70 ALA H H 48 7.802 7.802 7.928 -0.126 17995
733 1 2 . 1 1 71 71 LEU N N 49 121.199 121.199 119.787 1.412 17995
734 1 2 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.207 0.016 17995
735 1 2 . 1 1 71 71 LEU C C 49 178.192 178.192 179.637 -1.445 17995
736 1 2 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.153 0.409 17995
737 1 2 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.788 1.663 17995
738 1 2 . 1 1 71 71 LEU H H 49 8.802 8.802 8.281 0.521 17995
739 1 2 . 1 1 72 72 GLU N N 50 119.782 119.782 119.035 0.747 17995
740 1 2 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.227 -0.737 17995
741 1 2 . 1 1 72 72 GLU C C 50 180.303 180.303 179.667 0.636 17995
742 1 2 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.221 0.630 17995
743 1 2 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.052 2.055 17995
744 1 2 . 1 1 72 72 GLU H H 50 8.762 8.762 8.236 0.526 17995
745 1 2 . 1 1 73 73 GLU N N 51 116.902 116.902 118.021 -1.119 17995
746 1 2 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.141 -0.089 17995
747 1 2 . 1 1 73 73 GLU C C 51 178.334 178.334 178.963 -0.629 17995
748 1 2 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.419 0.199 17995
749 1 2 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.352 0.730 17995
750 1 2 . 1 1 73 73 GLU H H 51 7.953 7.953 7.904 0.049 17995
751 1 2 . 1 1 74 74 TYR N N 52 119.999 119.999 117.765 2.234 17995
752 1 2 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.320 -0.438 17995
753 1 2 . 1 1 74 74 TYR C C 52 177.384 177.384 178.042 -0.658 17995
754 1 2 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.395 0.205 17995
755 1 2 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.896 0.749 17995
756 1 2 . 1 1 74 74 TYR H H 52 8.078 8.078 8.003 0.075 17995
757 1 2 . 1 1 75 75 PHE N N 53 113.650 113.650 114.599 -0.949 17995
758 1 2 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.503 -0.317 17995
759 1 2 . 1 1 75 75 PHE C C 53 174.485 174.485 175.549 -1.064 17995
760 1 2 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.749 0.495 17995
761 1 2 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.103 0.937 17995
762 1 2 . 1 1 75 75 PHE H H 53 8.244 8.244 8.334 -0.090 17995
763 1 2 . 1 1 76 76 ASP N N 54 119.712 119.712 117.384 2.328 17995
764 1 2 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.548 -0.168 17995
765 1 2 . 1 1 76 76 ASP C C 54 174.118 174.118 175.441 -1.323 17995
766 1 2 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.707 -0.844 17995
767 1 2 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.100 0.056 17995
768 1 2 . 1 1 76 76 ASP H H 54 7.596 7.596 8.223 -0.627 17995
769 1 2 . 1 1 77 77 PHE N N 55 113.804 113.804 116.455 -2.651 17995
770 1 2 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.046 0.029 17995
771 1 2 . 1 1 77 77 PHE C C 55 174.384 174.384 173.548 0.836 17995
772 1 2 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.153 -0.717 17995
773 1 2 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.901 -0.271 17995
774 1 2 . 1 1 77 77 PHE H H 55 7.725 7.725 8.166 -0.441 17995
775 1 2 . 1 1 78 78 SER N N 56 114.319 114.319 114.890 -0.571 17995
776 1 2 . 1 1 78 78 SER HA H 56 5.149 5.149 4.898 0.251 17995
777 1 2 . 1 1 78 78 SER C C 56 174.100 174.100 173.333 0.767 17995
778 1 2 . 1 1 78 78 SER CA C 56 56.800 56.800 56.736 0.063 17995
779 1 2 . 1 1 78 78 SER CB C 56 65.011 65.011 63.594 1.417 17995
780 1 2 . 1 1 78 78 SER H H 56 8.727 8.727 8.301 0.426 17995
781 1 2 . 1 1 79 79 VAL N N 57 128.316 128.316 129.838 -1.522 17995
782 1 2 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.745 0.499 17995
783 1 2 . 1 1 79 79 VAL C C 57 175.637 175.637 175.335 0.302 17995
784 1 2 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.922 -1.168 17995
785 1 2 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.312 1.561 17995
786 1 2 . 1 1 79 79 VAL H H 57 10.222 10.222 7.958 2.264 17995
787 1 2 . 1 1 80 80 ASP N N 58 130.058 130.058 127.588 2.470 17995
788 1 2 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.420 0.426 17995
789 1 2 . 1 1 80 80 ASP C C 58 177.205 177.205 177.323 -0.118 17995
790 1 2 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.452 -0.975 17995
791 1 2 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.828 -0.163 17995
792 1 2 . 1 1 80 80 ASP H H 58 9.396 9.396 8.119 1.277 17995
793 1 2 . 1 1 81 81 ASP N N 59 122.564 122.564 124.779 -2.215 17995
794 1 2 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.311 -0.031 17995
795 1 2 . 1 1 81 81 ASP C C 59 177.291 177.291 177.760 -0.469 17995
796 1 2 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.134 0.326 17995
797 1 2 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.924 -0.194 17995
798 1 2 . 1 1 81 81 ASP H H 59 8.696 8.696 8.745 -0.049 17995
799 1 2 . 1 1 82 82 ASP N N 60 115.817 115.817 119.197 -3.380 17995
800 1 2 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.525 0.034 17995
801 1 2 . 1 1 82 82 ASP C C 60 176.939 176.939 177.028 -0.089 17995
802 1 2 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.934 -1.073 17995
803 1 2 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.874 -0.459 17995
804 1 2 . 1 1 82 82 ASP H H 60 8.460 8.460 8.191 0.269 17995
805 1 2 . 1 1 83 83 GLU N N 61 118.478 118.478 116.210 2.268 17995
806 1 2 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.482 -0.181 17995
807 1 2 . 1 1 83 83 GLU C C 61 175.841 175.841 176.183 -0.342 17995
808 1 2 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.012 1.292 17995
809 1 2 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.976 0.515 17995
810 1 2 . 1 1 83 83 GLU H H 61 7.903 7.903 7.657 0.246 17995
811 1 2 . 1 1 84 84 ILE N N 62 117.759 117.759 121.622 -3.863 17995
812 1 2 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.828 0.337 17995
813 1 2 . 1 1 84 84 ILE C C 62 174.069 174.069 175.298 -1.229 17995
814 1 2 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.680 -2.186 17995
815 1 2 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.989 1.146 17995
816 1 2 . 1 1 84 84 ILE H H 62 7.396 7.396 7.304 0.092 17995
817 1 2 . 1 1 85 85 SER N N 63 119.980 119.980 120.749 -0.769 17995
818 1 2 . 1 1 85 85 SER HA H 63 4.789 4.789 4.741 0.048 17995
819 1 2 . 1 1 85 85 SER CA C 63 56.772 56.772 56.728 0.044 17995
820 1 2 . 1 1 85 85 SER CB C 63 66.916 66.916 66.090 0.826 17995
821 1 2 . 1 1 85 85 SER H H 63 8.384 8.384 8.145 0.239 17995
822 1 2 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.357 -0.330 17995
823 1 2 . 1 1 86 86 ALA C C 64 180.211 180.211 179.517 0.694 17995
824 1 2 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.767 0.734 17995
825 1 2 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.730 -0.720 17995
826 1 2 . 1 1 87 87 GLN N N 65 116.123 116.123 115.060 1.063 17995
827 1 2 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.218 -0.153 17995
828 1 2 . 1 1 87 87 GLN C C 65 178.564 178.564 177.164 1.400 17995
829 1 2 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.068 1.671 17995
830 1 2 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.218 0.225 17995
831 1 2 . 1 1 87 87 GLN H H 65 7.990 7.990 7.748 0.242 17995
832 1 2 . 1 1 88 88 THR N N 66 119.153 119.153 114.297 4.856 17995
833 1 2 . 1 1 88 88 THR HA H 66 3.631 3.631 4.119 -0.488 17995
834 1 2 . 1 1 88 88 THR C C 66 174.748 174.748 174.440 0.308 17995
835 1 2 . 1 1 88 88 THR CA C 66 66.591 66.591 65.096 1.495 17995
836 1 2 . 1 1 88 88 THR CB C 66 68.702 68.702 68.707 -0.005 17995
837 1 2 . 1 1 88 88 THR H H 66 7.738 7.738 7.283 0.455 17995
838 1 2 . 1 1 89 89 PHE N N 67 115.088 115.088 116.435 -1.347 17995
839 1 2 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.643 -0.406 17995
840 1 2 . 1 1 89 89 PHE C C 67 173.600 173.600 176.495 -2.895 17995
841 1 2 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.532 -0.010 17995
842 1 2 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.408 1.298 17995
843 1 2 . 1 1 89 89 PHE H H 67 7.180 7.180 7.476 -0.296 17995
844 1 2 . 1 1 90 90 GLU N N 68 122.222 122.222 119.798 2.424 17995
845 1 2 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.087 0.080 17995
846 1 2 . 1 1 90 90 GLU C C 68 178.581 178.581 176.818 1.763 17995
847 1 2 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.565 1.161 17995
848 1 2 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.679 1.069 17995
849 1 2 . 1 1 90 90 GLU H H 68 7.421 7.421 8.122 -0.701 17995
850 1 2 . 1 1 91 91 THR N N 69 106.383 106.383 107.204 -0.821 17995
851 1 2 . 1 1 91 91 THR HA H 69 5.477 5.477 4.987 0.490 17995
852 1 2 . 1 1 91 91 THR C C 69 174.775 174.775 174.674 0.101 17995
853 1 2 . 1 1 91 91 THR CA C 69 58.798 58.798 58.907 -0.109 17995
854 1 2 . 1 1 91 91 THR CB C 69 74.841 74.841 73.038 1.803 17995
855 1 2 . 1 1 91 91 THR H H 69 8.534 8.534 7.194 1.340 17995
856 1 2 . 1 1 92 92 LEU N N 70 120.326 120.326 122.777 -2.451 17995
857 1 2 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.078 0.065 17995
858 1 2 . 1 1 92 92 LEU C C 70 178.174 178.174 178.281 -0.107 17995
859 1 2 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.733 0.533 17995
860 1 2 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.971 -1.101 17995
861 1 2 . 1 1 92 92 LEU H H 70 7.991 7.991 8.672 -0.681 17995
862 1 2 . 1 1 93 93 GLY N N 71 106.588 106.588 104.735 1.853 17995
863 1 2 . 1 1 93 93 GLY C C 71 175.300 175.300 176.200 -0.900 17995
864 1 2 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.364 -0.026 17995
865 1 2 . 1 1 93 93 GLY H H 71 9.019 9.019 8.376 0.643 17995
866 1 2 . 1 1 94 94 SER N N 72 120.200 120.200 118.673 1.527 17995
867 1 2 . 1 1 94 94 SER HA H 72 4.090 4.090 4.273 -0.183 17995
868 1 2 . 1 1 94 94 SER C C 72 177.631 177.631 176.734 0.897 17995
869 1 2 . 1 1 94 94 SER CA C 72 62.329 62.329 62.219 0.110 17995
870 1 2 . 1 1 94 94 SER H H 72 8.709 8.709 7.403 1.306 17995
871 1 2 . 1 1 95 95 LEU N N 73 129.169 129.169 121.487 7.682 17995
872 1 2 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.042 0.198 17995
873 1 2 . 1 1 95 95 LEU C C 73 176.439 176.439 179.044 -2.605 17995
874 1 2 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.452 0.350 17995
875 1 2 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.453 1.406 17995
876 1 2 . 1 1 95 95 LEU H H 73 7.800 7.800 7.500 0.300 17995
877 1 2 . 1 1 96 96 ALA N N 74 121.721 121.721 122.268 -0.547 17995
878 1 2 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.054 -0.065 17995
879 1 2 . 1 1 96 96 ALA C C 74 180.456 180.456 180.001 0.455 17995
880 1 2 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.232 0.470 17995
881 1 2 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.424 -0.708 17995
882 1 2 . 1 1 96 96 ALA H H 74 8.612 8.612 8.079 0.533 17995
883 1 2 . 1 1 97 97 LEU N N 75 122.095 122.095 119.437 2.658 17995
884 1 2 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.051 0.006 17995
885 1 2 . 1 1 97 97 LEU C C 75 178.805 178.805 179.285 -0.480 17995
886 1 2 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.745 0.024 17995
887 1 2 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.552 1.270 17995
888 1 2 . 1 1 97 97 LEU H H 75 8.777 8.777 7.960 0.817 17995
889 1 2 . 1 1 98 98 PHE N N 76 122.741 122.741 118.110 4.631 17995
890 1 2 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.945 0.317 17995
891 1 2 . 1 1 98 98 PHE C C 76 176.878 176.878 178.352 -1.474 17995
892 1 2 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.729 -1.497 17995
893 1 2 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.430 0.119 17995
894 1 2 . 1 1 98 98 PHE H H 76 7.889 7.889 7.937 -0.048 17995
895 1 2 . 1 1 99 99 VAL N N 77 119.641 119.641 114.772 4.869 17995
896 1 2 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.694 -0.916 17995
897 1 2 . 1 1 99 99 VAL C C 77 176.414 176.414 177.646 -1.232 17995
898 1 2 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.112 0.856 17995
899 1 2 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.248 -0.062 17995
900 1 2 . 1 1 99 99 VAL H H 77 7.599 7.599 8.347 -0.748 17995
901 1 2 . 1 1 100 100 GLU N N 78 118.850 118.850 121.690 -2.840 17995
902 1 2 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.221 -0.448 17995
903 1 2 . 1 1 100 100 GLU C C 78 179.007 179.007 179.113 -0.106 17995
904 1 2 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.274 0.266 17995
905 1 2 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.992 0.786 17995
906 1 2 . 1 1 100 100 GLU H H 78 7.740 7.740 8.053 -0.313 17995
907 1 2 . 1 1 101 101 HIS N N 79 120.328 120.328 116.538 3.790 17995
908 1 2 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.373 -0.172 17995
909 1 2 . 1 1 101 101 HIS C C 79 178.242 178.242 177.961 0.281 17995
910 1 2 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.192 1.046 17995
911 1 2 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.032 -0.094 17995
912 1 2 . 1 1 101 101 HIS H H 79 8.354 8.354 8.021 0.333 17995
913 1 2 . 1 1 102 102 LYS N N 80 121.044 121.044 120.252 0.792 17995
914 1 2 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.374 -0.807 17995
915 1 2 . 1 1 102 102 LYS C C 80 179.199 179.199 179.292 -0.093 17995
916 1 2 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.659 -1.672 17995
917 1 2 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.315 -2.139 17995
918 1 2 . 1 1 102 102 LYS H H 80 7.908 7.908 7.960 -0.052 17995
919 1 2 . 1 1 103 103 LEU N N 81 118.698 118.698 119.175 -0.477 17995
920 1 2 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.348 -0.190 17995
921 1 2 . 1 1 103 103 LEU C C 81 178.593 178.593 178.556 0.037 17995
922 1 2 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.001 0.395 17995
923 1 2 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.219 2.090 17995
924 1 2 . 1 1 103 103 LEU H H 81 7.784 7.784 7.931 -0.147 17995
925 1 2 . 1 1 104 104 SER N N 82 114.826 114.826 114.083 0.743 17995
926 1 2 . 1 1 104 104 SER HA H 82 4.358 4.358 4.333 0.025 17995
927 1 2 . 1 1 104 104 SER C C 82 174.810 174.810 174.915 -0.105 17995
928 1 2 . 1 1 104 104 SER CA C 82 59.567 59.567 60.117 -0.550 17995
929 1 2 . 1 1 104 104 SER CB C 82 63.859 63.859 63.172 0.687 17995
930 1 2 . 1 1 104 104 SER H H 82 7.738 7.738 7.906 -0.168 17995
931 1 3 . 1 1 24 24 GLN N N 2 121.730 121.730 122.326 -0.596 17995
932 1 3 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.430 -0.468 17995
933 1 3 . 1 1 24 24 GLN C C 2 177.291 177.291 177.514 -0.223 17995
934 1 3 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.217 1.174 17995
935 1 3 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.223 -0.513 17995
936 1 3 . 1 1 24 24 GLN H H 2 8.511 8.511 9.033 -0.522 17995
937 1 3 . 1 1 25 25 HIS N N 3 116.878 116.878 120.890 -4.012 17995
938 1 3 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.635 0.468 17995
939 1 3 . 1 1 25 25 HIS C C 3 175.501 175.501 177.564 -2.063 17995
940 1 3 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.300 -1.953 17995
941 1 3 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.656 0.971 17995
942 1 3 . 1 1 25 25 HIS H H 3 8.216 8.216 8.199 0.017 17995
943 1 3 . 1 1 26 26 LEU N N 4 121.540 121.540 118.770 2.770 17995
944 1 3 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.105 -0.412 17995
945 1 3 . 1 1 26 26 LEU C C 4 177.649 177.649 178.331 -0.682 17995
946 1 3 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.128 1.575 17995
947 1 3 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.100 1.235 17995
948 1 3 . 1 1 26 26 LEU H H 4 7.447 7.447 8.176 -0.729 17995
949 1 3 . 1 1 27 27 GLU N N 5 118.441 118.441 119.683 -1.242 17995
950 1 3 . 1 1 27 27 GLU HA H 5 3.891 3.891 4.008 -0.117 17995
951 1 3 . 1 1 27 27 GLU C C 5 178.162 178.162 178.443 -0.281 17995
952 1 3 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.040 0.582 17995
953 1 3 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.615 -0.538 17995
954 1 3 . 1 1 27 27 GLU H H 5 8.561 8.561 7.837 0.724 17995
955 1 3 . 1 1 28 28 ALA N N 6 122.005 122.005 122.653 -0.648 17995
956 1 3 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.272 -0.140 17995
957 1 3 . 1 1 28 28 ALA C C 6 180.421 180.421 180.059 0.362 17995
958 1 3 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.961 0.318 17995
959 1 3 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.280 0.486 17995
960 1 3 . 1 1 28 28 ALA H H 6 8.205 8.205 7.734 0.471 17995
961 1 3 . 1 1 29 29 VAL N N 7 116.985 116.985 119.664 -2.679 17995
962 1 3 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.703 -0.194 17995
963 1 3 . 1 1 29 29 VAL C C 7 177.034 177.034 177.802 -0.768 17995
964 1 3 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.721 0.642 17995
965 1 3 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.130 0.309 17995
966 1 3 . 1 1 29 29 VAL H H 7 8.392 8.392 8.020 0.372 17995
967 1 3 . 1 1 30 30 ARG N N 8 121.674 121.674 119.101 2.573 17995
968 1 3 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.053 -0.389 17995
969 1 3 . 1 1 30 30 ARG C C 8 177.810 177.810 178.435 -0.625 17995
970 1 3 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.253 1.272 17995
971 1 3 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.415 1.251 17995
972 1 3 . 1 1 30 30 ARG H H 8 8.784 8.784 8.301 0.483 17995
973 1 3 . 1 1 31 31 ASN N N 9 118.102 118.102 118.898 -0.796 17995
974 1 3 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.574 -0.290 17995
975 1 3 . 1 1 31 31 ASN C C 9 177.890 177.890 177.250 0.640 17995
976 1 3 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.151 0.103 17995
977 1 3 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.301 -0.713 17995
978 1 3 . 1 1 31 31 ASN H H 9 8.144 8.144 7.955 0.189 17995
979 1 3 . 1 1 32 32 ILE N N 10 123.614 123.614 120.381 3.233 17995
980 1 3 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.563 0.229 17995
981 1 3 . 1 1 32 32 ILE C C 10 177.810 177.810 177.933 -0.123 17995
982 1 3 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.550 -0.292 17995
983 1 3 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.785 0.949 17995
984 1 3 . 1 1 32 32 ILE H H 10 8.137 8.137 7.780 0.357 17995
985 1 3 . 1 1 33 33 LEU N N 11 119.797 119.797 119.705 0.092 17995
986 1 3 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.083 -0.297 17995
987 1 3 . 1 1 33 33 LEU C C 11 179.039 179.039 179.452 -0.413 17995
988 1 3 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.386 0.324 17995
989 1 3 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.200 0.876 17995
990 1 3 . 1 1 33 33 LEU H H 11 8.637 8.637 8.334 0.303 17995
991 1 3 . 1 1 34 34 GLY N N 12 103.682 103.682 106.143 -2.461 17995
992 1 3 . 1 1 34 34 GLY C C 12 175.242 175.242 175.434 -0.192 17995
993 1 3 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.016 0.702 17995
994 1 3 . 1 1 34 34 GLY H H 12 8.513 8.513 8.400 0.113 17995
995 1 3 . 1 1 35 35 ASP N N 13 122.235 122.235 122.335 -0.100 17995
996 1 3 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.642 -0.057 17995
997 1 3 . 1 1 35 35 ASP C C 13 179.013 179.013 178.638 0.375 17995
998 1 3 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.033 -0.117 17995
999 1 3 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.468 -0.422 17995
1000 1 3 . 1 1 35 35 ASP H H 13 7.968 7.968 7.739 0.229 17995
1001 1 3 . 1 1 36 36 VAL N N 14 120.841 120.841 120.099 0.742 17995
1002 1 3 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.805 -0.128 17995
1003 1 3 . 1 1 36 36 VAL C C 14 177.797 177.797 177.924 -0.127 17995
1004 1 3 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.566 0.438 17995
1005 1 3 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.290 -0.058 17995
1006 1 3 . 1 1 36 36 VAL H H 14 8.765 8.765 8.161 0.604 17995
1007 1 3 . 1 1 37 37 LEU N N 15 114.630 114.630 115.530 -0.900 17995
1008 1 3 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.305 -0.024 17995
1009 1 3 . 1 1 37 37 LEU C C 15 175.483 175.483 176.254 -0.771 17995
1010 1 3 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.728 -0.558 17995
1011 1 3 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.131 -1.437 17995
1012 1 3 . 1 1 37 37 LEU H H 15 7.942 7.942 7.690 0.252 17995
1013 1 3 . 1 1 38 38 ASN N N 16 116.887 116.887 116.481 0.406 17995
1014 1 3 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.547 -0.013 17995
1015 1 3 . 1 1 38 38 ASN C C 16 175.668 175.668 174.588 1.080 17995
1016 1 3 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.944 -0.025 17995
1017 1 3 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.538 -0.680 17995
1018 1 3 . 1 1 38 38 ASN H H 16 7.561 7.561 7.893 -0.332 17995
1019 1 3 . 1 1 39 39 LEU N N 17 114.676 114.676 120.586 -5.910 17995
1020 1 3 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.422 -0.352 17995
1021 1 3 . 1 1 39 39 LEU C C 17 178.415 178.415 178.141 0.274 17995
1022 1 3 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.088 0.656 17995
1023 1 3 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.471 0.805 17995
1024 1 3 . 1 1 39 39 LEU H H 17 8.233 8.233 7.932 0.301 17995
1025 1 3 . 1 1 40 40 GLY N N 18 109.665 109.665 108.306 1.359 17995
1026 1 3 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.786 -0.481 17995
1027 1 3 . 1 1 40 40 GLY H H 18 8.678 8.678 8.160 0.518 17995
1028 1 3 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.371 -0.243 17995
1029 1 3 . 1 1 41 41 GLU C C 19 178.328 178.328 178.258 0.070 17995
1030 1 3 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.333 1.931 17995
1031 1 3 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.054 -0.974 17995
1032 1 3 . 1 1 42 42 ARG N N 20 118.936 118.936 121.420 -2.484 17995
1033 1 3 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.144 0.031 17995
1034 1 3 . 1 1 42 42 ARG C C 20 178.912 178.912 177.811 1.101 17995
1035 1 3 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.732 -0.495 17995
1036 1 3 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.212 -0.156 17995
1037 1 3 . 1 1 42 42 ARG H H 20 7.979 7.979 7.837 0.142 17995
1038 1 3 . 1 1 43 43 LYS N N 21 119.087 119.087 114.689 4.398 17995
1039 1 3 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.107 -0.359 17995
1040 1 3 . 1 1 43 43 LYS C C 21 176.559 176.559 178.969 -2.410 17995
1041 1 3 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.941 0.157 17995
1042 1 3 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.482 0.499 17995
1043 1 3 . 1 1 43 43 LYS H H 21 7.719 7.719 8.302 -0.583 17995
1044 1 3 . 1 1 44 44 HIS N N 22 115.571 115.571 117.993 -2.422 17995
1045 1 3 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.446 -0.018 17995
1046 1 3 . 1 1 44 44 HIS C C 22 176.288 176.288 176.107 0.181 17995
1047 1 3 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.675 -0.891 17995
1048 1 3 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.047 0.423 17995
1049 1 3 . 1 1 44 44 HIS H H 22 7.124 7.124 7.995 -0.871 17995
1050 1 3 . 1 1 45 45 THR N N 23 107.890 107.890 111.842 -3.952 17995
1051 1 3 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995
1052 1 3 . 1 1 45 45 THR C C 23 174.650 174.650 174.546 0.104 17995
1053 1 3 . 1 1 45 45 THR CA C 23 61.627 61.627 61.855 -0.228 17995
1054 1 3 . 1 1 45 45 THR CB C 23 69.475 69.475 69.025 0.450 17995
1055 1 3 . 1 1 45 45 THR H H 23 7.441 7.441 7.505 -0.064 17995
1056 1 3 . 1 1 46 46 LEU N N 24 121.435 121.435 119.999 1.436 17995
1057 1 3 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.823 -0.200 17995
1058 1 3 . 1 1 46 46 LEU C C 24 176.537 176.537 175.485 1.052 17995
1059 1 3 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.173 1.417 17995
1060 1 3 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.749 -0.632 17995
1061 1 3 . 1 1 46 46 LEU H H 24 7.059 7.059 7.288 -0.229 17995
1062 1 3 . 1 1 47 47 THR N N 25 116.104 116.104 111.902 4.202 17995
1063 1 3 . 1 1 47 47 THR HA H 25 4.605 4.605 4.561 0.044 17995
1064 1 3 . 1 1 47 47 THR C C 25 175.526 175.526 175.301 0.225 17995
1065 1 3 . 1 1 47 47 THR CA C 25 59.878 59.878 59.325 0.553 17995
1066 1 3 . 1 1 47 47 THR CB C 25 71.752 71.752 71.800 -0.048 17995
1067 1 3 . 1 1 47 47 THR H H 25 9.432 9.432 7.883 1.549 17995
1068 1 3 . 1 1 48 48 ALA N N 26 122.234 122.234 122.341 -0.107 17995
1069 1 3 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.166 -0.357 17995
1070 1 3 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.222 0.370 17995
1071 1 3 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.199 0.455 17995
1072 1 3 . 1 1 48 48 ALA H H 26 9.142 9.142 8.493 0.649 17995
1073 1 3 . 1 1 49 49 SER HA H 27 4.448 4.448 4.337 0.111 17995
1074 1 3 . 1 1 49 49 SER C C 27 174.637 174.637 175.043 -0.406 17995
1075 1 3 . 1 1 49 49 SER CA C 27 58.348 58.348 59.483 -1.135 17995
1076 1 3 . 1 1 49 49 SER CB C 27 63.704 63.704 62.620 1.084 17995
1077 1 3 . 1 1 50 50 SER N N 28 122.032 122.032 118.207 3.825 17995
1078 1 3 . 1 1 50 50 SER HA H 28 4.269 4.269 4.427 -0.158 17995
1079 1 3 . 1 1 50 50 SER C C 28 172.904 172.904 174.015 -1.111 17995
1080 1 3 . 1 1 50 50 SER CA C 28 60.846 60.846 58.911 1.935 17995
1081 1 3 . 1 1 50 50 SER CB C 28 63.063 63.063 63.959 -0.896 17995
1082 1 3 . 1 1 50 50 SER H H 28 8.157 8.157 7.433 0.724 17995
1083 1 3 . 1 1 51 51 VAL N N 29 127.079 127.079 125.822 1.257 17995
1084 1 3 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.203 0.139 17995
1085 1 3 . 1 1 51 51 VAL C C 29 176.612 176.612 175.979 0.633 17995
1086 1 3 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.204 -0.756 17995
1087 1 3 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.578 -0.353 17995
1088 1 3 . 1 1 51 51 VAL H H 29 8.505 8.505 8.669 -0.164 17995
1089 1 3 . 1 1 52 52 LEU N N 30 126.014 126.014 124.857 1.157 17995
1090 1 3 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.619 0.176 17995
1091 1 3 . 1 1 52 52 LEU C C 30 176.569 176.569 177.136 -0.567 17995
1092 1 3 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.577 -1.045 17995
1093 1 3 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.015 -2.011 17995
1094 1 3 . 1 1 52 52 LEU H H 30 7.954 7.954 8.494 -0.540 17995
1095 1 3 . 1 1 53 53 LEU N N 31 122.601 122.601 119.391 3.210 17995
1096 1 3 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.981 0.105 17995
1097 1 3 . 1 1 53 53 LEU C C 31 177.683 177.683 177.825 -0.142 17995
1098 1 3 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.592 0.782 17995
1099 1 3 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.174 0.645 17995
1100 1 3 . 1 1 53 53 LEU H H 31 7.777 7.777 7.867 -0.090 17995
1101 1 3 . 1 1 54 54 GLY N N 32 114.941 114.941 113.506 1.435 17995
1102 1 3 . 1 1 54 54 GLY C C 32 173.612 173.612 174.647 -1.035 17995
1103 1 3 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.409 0.149 17995
1104 1 3 . 1 1 54 54 GLY H H 32 9.121 9.121 8.660 0.461 17995
1105 1 3 . 1 1 55 55 ASN N N 33 117.901 117.901 121.760 -3.859 17995
1106 1 3 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.749 0.181 17995
1107 1 3 . 1 1 55 55 ASN C C 33 174.458 174.458 176.103 -1.645 17995
1108 1 3 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.489 -0.670 17995
1109 1 3 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.547 2.000 17995
1110 1 3 . 1 1 55 55 ASN H H 33 7.789 7.789 7.812 -0.023 17995
1111 1 3 . 1 1 56 56 ILE N N 34 120.163 120.163 122.066 -1.903 17995
1112 1 3 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.466 0.071 17995
1113 1 3 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.615 0.385 17995
1114 1 3 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.339 1.754 17995
1115 1 3 . 1 1 56 56 ILE H H 34 7.703 7.703 7.971 -0.268 17995
1116 1 3 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.414 -0.241 17995
1117 1 3 . 1 1 57 57 PRO C C 35 177.969 177.969 176.770 1.199 17995
1118 1 3 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.320 0.956 17995
1119 1 3 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.960 -0.026 17995
1120 1 3 . 1 1 58 58 GLU N N 36 116.701 116.701 116.824 -0.123 17995
1121 1 3 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.317 -0.345 17995
1122 1 3 . 1 1 58 58 GLU C C 36 176.612 176.612 176.116 0.496 17995
1123 1 3 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.890 3.457 17995
1124 1 3 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.314 0.518 17995
1125 1 3 . 1 1 58 58 GLU H H 36 9.581 9.581 8.646 0.935 17995
1126 1 3 . 1 1 59 59 LEU N N 37 121.189 121.189 123.532 -2.343 17995
1127 1 3 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.291 0.021 17995
1128 1 3 . 1 1 59 59 LEU C C 37 173.353 173.353 175.330 -1.977 17995
1129 1 3 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.286 -1.008 17995
1130 1 3 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.300 -0.301 17995
1131 1 3 . 1 1 59 59 LEU H H 37 7.560 7.560 7.269 0.291 17995
1132 1 3 . 1 1 60 60 ASP N N 38 126.468 126.468 124.332 2.136 17995
1133 1 3 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.717 -0.002 17995
1134 1 3 . 1 1 60 60 ASP C C 38 175.828 175.828 177.136 -1.308 17995
1135 1 3 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.956 -1.036 17995
1136 1 3 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.767 -2.211 17995
1137 1 3 . 1 1 60 60 ASP H H 38 7.527 7.527 7.743 -0.216 17995
1138 1 3 . 1 1 61 61 SER N N 39 113.128 113.128 116.397 -3.269 17995
1139 1 3 . 1 1 61 61 SER HA H 39 4.019 4.019 4.083 -0.064 17995
1140 1 3 . 1 1 61 61 SER C C 39 175.854 175.854 176.929 -1.075 17995
1141 1 3 . 1 1 61 61 SER CA C 39 61.276 61.276 61.780 -0.504 17995
1142 1 3 . 1 1 61 61 SER CB C 39 65.520 65.520 62.986 2.534 17995
1143 1 3 . 1 1 61 61 SER H H 39 8.623 8.623 8.529 0.094 17995
1144 1 3 . 1 1 62 62 MET N N 40 121.706 121.706 118.067 3.639 17995
1145 1 3 . 1 1 62 62 MET HA H 40 4.303 4.303 4.255 0.048 17995
1146 1 3 . 1 1 62 62 MET C C 40 177.755 177.755 178.012 -0.257 17995
1147 1 3 . 1 1 62 62 MET CA C 40 57.714 57.714 56.813 0.901 17995
1148 1 3 . 1 1 62 62 MET CB C 40 32.386 32.386 31.582 0.804 17995
1149 1 3 . 1 1 62 62 MET H H 40 7.802 7.802 8.061 -0.259 17995
1150 1 3 . 1 1 63 63 ALA N N 41 124.277 124.277 122.032 2.245 17995
1151 1 3 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.079 0.092 17995
1152 1 3 . 1 1 63 63 ALA C C 41 179.893 179.893 179.399 0.494 17995
1153 1 3 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.965 0.136 17995
1154 1 3 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.995 1.661 17995
1155 1 3 . 1 1 63 63 ALA H H 41 8.295 8.295 7.982 0.313 17995
1156 1 3 . 1 1 64 64 VAL N N 42 118.186 118.186 115.135 3.051 17995
1157 1 3 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.304 -0.311 17995
1158 1 3 . 1 1 64 64 VAL C C 42 177.327 177.327 177.507 -0.180 17995
1159 1 3 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.553 1.759 17995
1160 1 3 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.009 0.183 17995
1161 1 3 . 1 1 64 64 VAL H H 42 8.019 8.019 7.644 0.375 17995
1162 1 3 . 1 1 65 65 VAL N N 43 118.361 118.361 121.611 -3.250 17995
1163 1 3 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.457 0.107 17995
1164 1 3 . 1 1 65 65 VAL C C 43 178.520 178.520 178.109 0.411 17995
1165 1 3 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.574 -0.017 17995
1166 1 3 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995
1167 1 3 . 1 1 65 65 VAL H H 43 6.942 6.942 7.442 -0.500 17995
1168 1 3 . 1 1 66 66 ASN N N 44 119.476 119.476 118.397 1.079 17995
1169 1 3 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.455 0.107 17995
1170 1 3 . 1 1 66 66 ASN C C 44 178.760 178.760 178.105 0.655 17995
1171 1 3 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.275 -0.439 17995
1172 1 3 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.236 -0.429 17995
1173 1 3 . 1 1 66 66 ASN H H 44 7.789 7.789 7.908 -0.119 17995
1174 1 3 . 1 1 67 67 VAL N N 45 124.029 124.029 116.381 7.648 17995
1175 1 3 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.858 -0.240 17995
1176 1 3 . 1 1 67 67 VAL C C 45 177.100 177.100 177.849 -0.749 17995
1177 1 3 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.858 1.508 17995
1178 1 3 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.556 -0.096 17995
1179 1 3 . 1 1 67 67 VAL H H 45 9.055 9.055 7.634 1.421 17995
1180 1 3 . 1 1 68 68 ILE N N 46 121.006 121.006 122.241 -1.235 17995
1181 1 3 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.657 0.131 17995
1182 1 3 . 1 1 68 68 ILE C C 46 177.871 177.871 177.921 -0.050 17995
1183 1 3 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.701 -0.438 17995
1184 1 3 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.623 -1.456 17995
1185 1 3 . 1 1 68 68 ILE H H 46 8.509 8.509 7.993 0.516 17995
1186 1 3 . 1 1 69 69 THR N N 47 116.096 116.096 116.798 -0.702 17995
1187 1 3 . 1 1 69 69 THR HA H 47 4.391 4.391 4.082 0.309 17995
1188 1 3 . 1 1 69 69 THR C C 47 176.365 176.365 176.653 -0.288 17995
1189 1 3 . 1 1 69 69 THR CA C 47 66.256 66.256 66.710 -0.455 17995
1190 1 3 . 1 1 69 69 THR CB C 47 69.098 69.098 68.743 0.355 17995
1191 1 3 . 1 1 69 69 THR H H 47 8.512 8.512 7.909 0.603 17995
1192 1 3 . 1 1 70 70 ALA N N 48 123.948 123.948 124.318 -0.370 17995
1193 1 3 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.224 0.079 17995
1194 1 3 . 1 1 70 70 ALA C C 48 181.452 181.452 179.561 1.891 17995
1195 1 3 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.246 -0.063 17995
1196 1 3 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.122 1.300 17995
1197 1 3 . 1 1 70 70 ALA H H 48 7.802 7.802 7.850 -0.048 17995
1198 1 3 . 1 1 71 71 LEU N N 49 121.199 121.199 119.449 1.750 17995
1199 1 3 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.042 0.181 17995
1200 1 3 . 1 1 71 71 LEU C C 49 178.192 178.192 179.385 -1.193 17995
1201 1 3 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.330 0.231 17995
1202 1 3 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.919 1.532 17995
1203 1 3 . 1 1 71 71 LEU H H 49 8.802 8.802 8.256 0.546 17995
1204 1 3 . 1 1 72 72 GLU N N 50 119.782 119.782 118.249 1.533 17995
1205 1 3 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.418 0.072 17995
1206 1 3 . 1 1 72 72 GLU C C 50 180.303 180.303 179.552 0.751 17995
1207 1 3 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.409 0.442 17995
1208 1 3 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.124 1.984 17995
1209 1 3 . 1 1 72 72 GLU H H 50 8.762 8.762 8.100 0.662 17995
1210 1 3 . 1 1 73 73 GLU N N 51 116.902 116.902 119.342 -2.440 17995
1211 1 3 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.186 -0.134 17995
1212 1 3 . 1 1 73 73 GLU C C 51 178.334 178.334 178.713 -0.379 17995
1213 1 3 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.786 -0.168 17995
1214 1 3 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.682 0.400 17995
1215 1 3 . 1 1 73 73 GLU H H 51 7.953 7.953 8.053 -0.100 17995
1216 1 3 . 1 1 74 74 TYR N N 52 119.999 119.999 118.054 1.945 17995
1217 1 3 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.291 -0.409 17995
1218 1 3 . 1 1 74 74 TYR C C 52 177.384 177.384 178.154 -0.770 17995
1219 1 3 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.877 0.723 17995
1220 1 3 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.530 1.115 17995
1221 1 3 . 1 1 74 74 TYR H H 52 8.078 8.078 8.389 -0.311 17995
1222 1 3 . 1 1 75 75 PHE N N 53 113.650 113.650 114.327 -0.677 17995
1223 1 3 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.548 -0.362 17995
1224 1 3 . 1 1 75 75 PHE C C 53 174.485 174.485 175.539 -1.054 17995
1225 1 3 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.444 -0.200 17995
1226 1 3 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.497 0.543 17995
1227 1 3 . 1 1 75 75 PHE H H 53 8.244 8.244 8.331 -0.087 17995
1228 1 3 . 1 1 76 76 ASP N N 54 119.712 119.712 117.823 1.889 17995
1229 1 3 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.533 -0.153 17995
1230 1 3 . 1 1 76 76 ASP C C 54 174.118 174.118 175.325 -1.207 17995
1231 1 3 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.646 -0.783 17995
1232 1 3 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.078 0.078 17995
1233 1 3 . 1 1 76 76 ASP H H 54 7.596 7.596 8.203 -0.607 17995
1234 1 3 . 1 1 77 77 PHE N N 55 113.804 113.804 116.928 -3.124 17995
1235 1 3 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.843 0.232 17995
1236 1 3 . 1 1 77 77 PHE C C 55 174.384 174.384 173.313 1.071 17995
1237 1 3 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.157 -1.721 17995
1238 1 3 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.593 0.037 17995
1239 1 3 . 1 1 77 77 PHE H H 55 7.725 7.725 7.900 -0.175 17995
1240 1 3 . 1 1 78 78 SER N N 56 114.319 114.319 116.252 -1.933 17995
1241 1 3 . 1 1 78 78 SER HA H 56 5.149 5.149 4.682 0.467 17995
1242 1 3 . 1 1 78 78 SER C C 56 174.100 174.100 173.084 1.016 17995
1243 1 3 . 1 1 78 78 SER CA C 56 56.800 56.800 57.435 -0.635 17995
1244 1 3 . 1 1 78 78 SER CB C 56 65.011 65.011 64.874 0.137 17995
1245 1 3 . 1 1 78 78 SER H H 56 8.727 8.727 8.352 0.375 17995
1246 1 3 . 1 1 79 79 VAL N N 57 128.316 128.316 125.220 3.096 17995
1247 1 3 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.967 0.277 17995
1248 1 3 . 1 1 79 79 VAL C C 57 175.637 175.637 175.357 0.280 17995
1249 1 3 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.850 -1.096 17995
1250 1 3 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.965 0.908 17995
1251 1 3 . 1 1 79 79 VAL H H 57 10.222 10.222 8.101 2.121 17995
1252 1 3 . 1 1 80 80 ASP N N 58 130.058 130.058 127.063 2.995 17995
1253 1 3 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.676 0.170 17995
1254 1 3 . 1 1 80 80 ASP C C 58 177.205 177.205 176.952 0.253 17995
1255 1 3 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.337 0.139 17995
1256 1 3 . 1 1 80 80 ASP CB C 58 42.665 42.665 44.069 -1.404 17995
1257 1 3 . 1 1 80 80 ASP H H 58 9.396 9.396 8.301 1.095 17995
1258 1 3 . 1 1 81 81 ASP N N 59 122.564 122.564 123.754 -1.190 17995
1259 1 3 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.412 -0.132 17995
1260 1 3 . 1 1 81 81 ASP C C 59 177.291 177.291 177.499 -0.208 17995
1261 1 3 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.822 0.638 17995
1262 1 3 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.066 -0.337 17995
1263 1 3 . 1 1 81 81 ASP H H 59 8.696 8.696 8.727 -0.031 17995
1264 1 3 . 1 1 82 82 ASP N N 60 115.817 115.817 119.130 -3.313 17995
1265 1 3 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.471 0.088 17995
1266 1 3 . 1 1 82 82 ASP C C 60 176.939 176.939 177.639 -0.700 17995
1267 1 3 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.460 -1.599 17995
1268 1 3 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.198 -0.783 17995
1269 1 3 . 1 1 82 82 ASP H H 60 8.460 8.460 8.089 0.371 17995
1270 1 3 . 1 1 83 83 GLU N N 61 118.478 118.478 115.267 3.211 17995
1271 1 3 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.440 -0.139 17995
1272 1 3 . 1 1 83 83 GLU C C 61 175.841 175.841 176.005 -0.164 17995
1273 1 3 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.904 0.400 17995
1274 1 3 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.726 0.765 17995
1275 1 3 . 1 1 83 83 GLU H H 61 7.903 7.903 7.788 0.115 17995
1276 1 3 . 1 1 84 84 ILE N N 62 117.759 117.759 121.404 -3.645 17995
1277 1 3 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.833 0.332 17995
1278 1 3 . 1 1 84 84 ILE C C 62 174.069 174.069 175.392 -1.323 17995
1279 1 3 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.949 -2.455 17995
1280 1 3 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.887 1.248 17995
1281 1 3 . 1 1 84 84 ILE H H 62 7.396 7.396 7.152 0.244 17995
1282 1 3 . 1 1 85 85 SER N N 63 119.980 119.980 122.277 -2.297 17995
1283 1 3 . 1 1 85 85 SER HA H 63 4.789 4.789 4.730 0.059 17995
1284 1 3 . 1 1 85 85 SER CA C 63 56.772 56.772 57.050 -0.278 17995
1285 1 3 . 1 1 85 85 SER CB C 63 66.916 66.916 65.370 1.546 17995
1286 1 3 . 1 1 85 85 SER H H 63 8.384 8.384 8.381 0.003 17995
1287 1 3 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.328 -0.301 17995
1288 1 3 . 1 1 86 86 ALA C C 64 180.211 180.211 179.586 0.625 17995
1289 1 3 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.819 0.682 17995
1290 1 3 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.570 -0.560 17995
1291 1 3 . 1 1 87 87 GLN N N 65 116.123 116.123 114.594 1.529 17995
1292 1 3 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.208 -0.143 17995
1293 1 3 . 1 1 87 87 GLN C C 65 178.564 178.564 176.599 1.965 17995
1294 1 3 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.346 1.393 17995
1295 1 3 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.997 0.446 17995
1296 1 3 . 1 1 87 87 GLN H H 65 7.990 7.990 8.049 -0.059 17995
1297 1 3 . 1 1 88 88 THR N N 66 119.153 119.153 113.814 5.339 17995
1298 1 3 . 1 1 88 88 THR HA H 66 3.631 3.631 4.221 -0.590 17995
1299 1 3 . 1 1 88 88 THR C C 66 174.748 174.748 174.515 0.233 17995
1300 1 3 . 1 1 88 88 THR CA C 66 66.591 66.591 65.540 1.051 17995
1301 1 3 . 1 1 88 88 THR CB C 66 68.702 68.702 68.932 -0.230 17995
1302 1 3 . 1 1 88 88 THR H H 66 7.738 7.738 7.423 0.315 17995
1303 1 3 . 1 1 89 89 PHE N N 67 115.088 115.088 117.233 -2.145 17995
1304 1 3 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.684 -0.447 17995
1305 1 3 . 1 1 89 89 PHE C C 67 173.600 173.600 176.874 -3.274 17995
1306 1 3 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.743 -0.221 17995
1307 1 3 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.656 1.050 17995
1308 1 3 . 1 1 89 89 PHE H H 67 7.180 7.180 7.466 -0.286 17995
1309 1 3 . 1 1 90 90 GLU N N 68 122.222 122.222 119.835 2.387 17995
1310 1 3 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.122 0.045 17995
1311 1 3 . 1 1 90 90 GLU C C 68 178.581 178.581 176.744 1.837 17995
1312 1 3 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.213 1.513 17995
1313 1 3 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.706 1.042 17995
1314 1 3 . 1 1 90 90 GLU H H 68 7.421 7.421 8.336 -0.915 17995
1315 1 3 . 1 1 91 91 THR N N 69 106.383 106.383 107.087 -0.704 17995
1316 1 3 . 1 1 91 91 THR HA H 69 5.477 5.477 4.945 0.532 17995
1317 1 3 . 1 1 91 91 THR C C 69 174.775 174.775 174.604 0.171 17995
1318 1 3 . 1 1 91 91 THR CA C 69 58.798 58.798 59.108 -0.310 17995
1319 1 3 . 1 1 91 91 THR CB C 69 74.841 74.841 72.925 1.916 17995
1320 1 3 . 1 1 91 91 THR H H 69 8.534 8.534 7.255 1.279 17995
1321 1 3 . 1 1 92 92 LEU N N 70 120.326 120.326 122.265 -1.939 17995
1322 1 3 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.143 0.000 17995
1323 1 3 . 1 1 92 92 LEU C C 70 178.174 178.174 178.272 -0.098 17995
1324 1 3 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.380 0.886 17995
1325 1 3 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.047 -1.177 17995
1326 1 3 . 1 1 92 92 LEU H H 70 7.991 7.991 8.364 -0.373 17995
1327 1 3 . 1 1 93 93 GLY N N 71 106.588 106.588 105.199 1.389 17995
1328 1 3 . 1 1 93 93 GLY C C 71 175.300 175.300 176.105 -0.805 17995
1329 1 3 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.296 0.041 17995
1330 1 3 . 1 1 93 93 GLY H H 71 9.019 9.019 8.407 0.612 17995
1331 1 3 . 1 1 94 94 SER N N 72 120.200 120.200 118.546 1.654 17995
1332 1 3 . 1 1 94 94 SER HA H 72 4.090 4.090 4.224 -0.134 17995
1333 1 3 . 1 1 94 94 SER C C 72 177.631 177.631 176.337 1.294 17995
1334 1 3 . 1 1 94 94 SER CA C 72 62.329 62.329 62.286 0.043 17995
1335 1 3 . 1 1 94 94 SER H H 72 8.709 8.709 7.442 1.267 17995
1336 1 3 . 1 1 95 95 LEU N N 73 129.169 129.169 121.462 7.707 17995
1337 1 3 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.055 0.185 17995
1338 1 3 . 1 1 95 95 LEU C C 73 176.439 176.439 179.000 -2.561 17995
1339 1 3 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.359 0.443 17995
1340 1 3 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.373 1.486 17995
1341 1 3 . 1 1 95 95 LEU H H 73 7.800 7.800 7.498 0.302 17995
1342 1 3 . 1 1 96 96 ALA N N 74 121.721 121.721 122.185 -0.464 17995
1343 1 3 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.957 0.032 17995
1344 1 3 . 1 1 96 96 ALA C C 74 180.456 180.456 179.788 0.668 17995
1345 1 3 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.197 0.505 17995
1346 1 3 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.314 -0.598 17995
1347 1 3 . 1 1 96 96 ALA H H 74 8.612 8.612 8.025 0.587 17995
1348 1 3 . 1 1 97 97 LEU N N 75 122.095 122.095 119.423 2.672 17995
1349 1 3 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.908 0.149 17995
1350 1 3 . 1 1 97 97 LEU C C 75 178.805 178.805 179.204 -0.399 17995
1351 1 3 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.004 -0.235 17995
1352 1 3 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.788 1.034 17995
1353 1 3 . 1 1 97 97 LEU H H 75 8.777 8.777 7.915 0.862 17995
1354 1 3 . 1 1 98 98 PHE N N 76 122.741 122.741 117.622 5.119 17995
1355 1 3 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.155 0.107 17995
1356 1 3 . 1 1 98 98 PHE C C 76 176.878 176.878 178.521 -1.643 17995
1357 1 3 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.801 -1.569 17995
1358 1 3 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.351 0.198 17995
1359 1 3 . 1 1 98 98 PHE H H 76 7.889 7.889 8.004 -0.115 17995
1360 1 3 . 1 1 99 99 VAL N N 77 119.641 119.641 115.024 4.617 17995
1361 1 3 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.265 -0.487 17995
1362 1 3 . 1 1 99 99 VAL C C 77 176.414 176.414 177.561 -1.147 17995
1363 1 3 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.998 0.970 17995
1364 1 3 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.978 0.208 17995
1365 1 3 . 1 1 99 99 VAL H H 77 7.599 7.599 8.172 -0.573 17995
1366 1 3 . 1 1 100 100 GLU N N 78 118.850 118.850 121.918 -3.068 17995
1367 1 3 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.120 -0.347 17995
1368 1 3 . 1 1 100 100 GLU C C 78 179.007 179.007 179.095 -0.088 17995
1369 1 3 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.214 0.326 17995
1370 1 3 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.830 0.948 17995
1371 1 3 . 1 1 100 100 GLU H H 78 7.740 7.740 8.160 -0.420 17995
1372 1 3 . 1 1 101 101 HIS N N 79 120.328 120.328 117.737 2.591 17995
1373 1 3 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.362 -0.161 17995
1374 1 3 . 1 1 101 101 HIS C C 79 178.242 178.242 177.912 0.330 17995
1375 1 3 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.433 -0.195 17995
1376 1 3 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.843 0.095 17995
1377 1 3 . 1 1 101 101 HIS H H 79 8.354 8.354 7.823 0.531 17995
1378 1 3 . 1 1 102 102 LYS N N 80 121.044 121.044 118.905 2.139 17995
1379 1 3 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.206 -0.639 17995
1380 1 3 . 1 1 102 102 LYS C C 80 179.199 179.199 178.802 0.397 17995
1381 1 3 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.084 -1.097 17995
1382 1 3 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.833 -1.657 17995
1383 1 3 . 1 1 102 102 LYS H H 80 7.908 7.908 7.812 0.096 17995
1384 1 3 . 1 1 103 103 LEU N N 81 118.698 118.698 118.538 0.160 17995
1385 1 3 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.229 -0.071 17995
1386 1 3 . 1 1 103 103 LEU C C 81 178.593 178.593 178.572 0.021 17995
1387 1 3 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.949 0.447 17995
1388 1 3 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.792 1.517 17995
1389 1 3 . 1 1 103 103 LEU H H 81 7.784 7.784 7.838 -0.054 17995
1390 1 3 . 1 1 104 104 SER N N 82 114.826 114.826 113.652 1.174 17995
1391 1 3 . 1 1 104 104 SER HA H 82 4.358 4.358 4.278 0.080 17995
1392 1 3 . 1 1 104 104 SER C C 82 174.810 174.810 174.125 0.685 17995
1393 1 3 . 1 1 104 104 SER CA C 82 59.567 59.567 60.420 -0.853 17995
1394 1 3 . 1 1 104 104 SER CB C 82 63.859 63.859 63.688 0.171 17995
1395 1 3 . 1 1 104 104 SER H H 82 7.738 7.738 7.809 -0.071 17995
1396 1 4 . 1 1 24 24 GLN N N 2 121.730 121.730 122.476 -0.746 17995
1397 1 4 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.417 -0.455 17995
1398 1 4 . 1 1 24 24 GLN C C 2 177.291 177.291 176.883 0.408 17995
1399 1 4 . 1 1 24 24 GLN CA C 2 58.391 58.391 56.677 1.714 17995
1400 1 4 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.430 -0.720 17995
1401 1 4 . 1 1 24 24 GLN H H 2 8.511 8.511 9.294 -0.783 17995
1402 1 4 . 1 1 25 25 HIS N N 3 116.878 116.878 118.912 -2.034 17995
1403 1 4 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.717 0.386 17995
1404 1 4 . 1 1 25 25 HIS C C 3 175.501 175.501 176.778 -1.277 17995
1405 1 4 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.836 -1.489 17995
1406 1 4 . 1 1 25 25 HIS CB C 3 30.627 30.627 31.270 -0.643 17995
1407 1 4 . 1 1 25 25 HIS H H 3 8.216 8.216 8.185 0.031 17995
1408 1 4 . 1 1 26 26 LEU N N 4 121.540 121.540 118.957 2.583 17995
1409 1 4 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995
1410 1 4 . 1 1 26 26 LEU C C 4 177.649 177.649 178.176 -0.527 17995
1411 1 4 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.305 1.398 17995
1412 1 4 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.296 1.039 17995
1413 1 4 . 1 1 26 26 LEU H H 4 7.447 7.447 8.245 -0.798 17995
1414 1 4 . 1 1 27 27 GLU N N 5 118.441 118.441 120.169 -1.728 17995
1415 1 4 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.961 -0.070 17995
1416 1 4 . 1 1 27 27 GLU C C 5 178.162 178.162 178.286 -0.124 17995
1417 1 4 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.268 0.354 17995
1418 1 4 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.377 -0.300 17995
1419 1 4 . 1 1 27 27 GLU H H 5 8.561 8.561 8.455 0.106 17995
1420 1 4 . 1 1 28 28 ALA N N 6 122.005 122.005 121.994 0.011 17995
1421 1 4 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.182 -0.050 17995
1422 1 4 . 1 1 28 28 ALA C C 6 180.421 180.421 180.115 0.306 17995
1423 1 4 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.875 0.404 17995
1424 1 4 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.323 0.444 17995
1425 1 4 . 1 1 28 28 ALA H H 6 8.205 8.205 7.711 0.494 17995
1426 1 4 . 1 1 29 29 VAL N N 7 116.985 116.985 119.696 -2.711 17995
1427 1 4 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.698 -0.189 17995
1428 1 4 . 1 1 29 29 VAL C C 7 177.034 177.034 177.690 -0.656 17995
1429 1 4 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.747 -0.384 17995
1430 1 4 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.622 -0.183 17995
1431 1 4 . 1 1 29 29 VAL H H 7 8.392 8.392 8.130 0.262 17995
1432 1 4 . 1 1 30 30 ARG N N 8 121.674 121.674 119.415 2.259 17995
1433 1 4 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.024 -0.360 17995
1434 1 4 . 1 1 30 30 ARG C C 8 177.810 177.810 178.407 -0.597 17995
1435 1 4 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.350 1.175 17995
1436 1 4 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.417 1.249 17995
1437 1 4 . 1 1 30 30 ARG H H 8 8.784 8.784 8.389 0.395 17995
1438 1 4 . 1 1 31 31 ASN N N 9 118.102 118.102 118.850 -0.748 17995
1439 1 4 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.525 -0.241 17995
1440 1 4 . 1 1 31 31 ASN C C 9 177.890 177.890 177.360 0.530 17995
1441 1 4 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.145 0.109 17995
1442 1 4 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.249 -0.661 17995
1443 1 4 . 1 1 31 31 ASN H H 9 8.144 8.144 7.888 0.256 17995
1444 1 4 . 1 1 32 32 ILE N N 10 123.614 123.614 120.379 3.235 17995
1445 1 4 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.668 0.124 17995
1446 1 4 . 1 1 32 32 ILE C C 10 177.810 177.810 177.824 -0.014 17995
1447 1 4 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.374 -0.116 17995
1448 1 4 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.092 0.642 17995
1449 1 4 . 1 1 32 32 ILE H H 10 8.137 8.137 7.793 0.344 17995
1450 1 4 . 1 1 33 33 LEU N N 11 119.797 119.797 120.011 -0.214 17995
1451 1 4 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.006 -0.220 17995
1452 1 4 . 1 1 33 33 LEU C C 11 179.039 179.039 179.485 -0.446 17995
1453 1 4 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.074 0.636 17995
1454 1 4 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.453 0.623 17995
1455 1 4 . 1 1 33 33 LEU H H 11 8.637 8.637 8.492 0.145 17995
1456 1 4 . 1 1 34 34 GLY N N 12 103.682 103.682 105.483 -1.801 17995
1457 1 4 . 1 1 34 34 GLY C C 12 175.242 175.242 175.198 0.044 17995
1458 1 4 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.892 0.826 17995
1459 1 4 . 1 1 34 34 GLY H H 12 8.513 8.513 8.346 0.167 17995
1460 1 4 . 1 1 35 35 ASP N N 13 122.235 122.235 122.061 0.174 17995
1461 1 4 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.549 0.036 17995
1462 1 4 . 1 1 35 35 ASP C C 13 179.013 179.013 178.422 0.591 17995
1463 1 4 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.045 -0.129 17995
1464 1 4 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.284 -0.238 17995
1465 1 4 . 1 1 35 35 ASP H H 13 7.968 7.968 7.675 0.293 17995
1466 1 4 . 1 1 36 36 VAL N N 14 120.841 120.841 120.449 0.392 17995
1467 1 4 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.843 -0.166 17995
1468 1 4 . 1 1 36 36 VAL C C 14 177.797 177.797 177.831 -0.034 17995
1469 1 4 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.768 0.236 17995
1470 1 4 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.163 0.068 17995
1471 1 4 . 1 1 36 36 VAL H H 14 8.765 8.765 8.205 0.560 17995
1472 1 4 . 1 1 37 37 LEU N N 15 114.630 114.630 115.890 -1.260 17995
1473 1 4 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.337 -0.056 17995
1474 1 4 . 1 1 37 37 LEU C C 15 175.483 175.483 176.378 -0.895 17995
1475 1 4 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.531 -0.361 17995
1476 1 4 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.053 -0.359 17995
1477 1 4 . 1 1 37 37 LEU H H 15 7.942 7.942 7.948 -0.006 17995
1478 1 4 . 1 1 38 38 ASN N N 16 116.887 116.887 115.798 1.089 17995
1479 1 4 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.522 0.012 17995
1480 1 4 . 1 1 38 38 ASN C C 16 175.668 175.668 175.204 0.464 17995
1481 1 4 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.709 0.211 17995
1482 1 4 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.786 -0.928 17995
1483 1 4 . 1 1 38 38 ASN H H 16 7.561 7.561 7.924 -0.363 17995
1484 1 4 . 1 1 39 39 LEU N N 17 114.676 114.676 120.470 -5.794 17995
1485 1 4 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.362 -0.292 17995
1486 1 4 . 1 1 39 39 LEU C C 17 178.415 178.415 178.235 0.180 17995
1487 1 4 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.553 0.191 17995
1488 1 4 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.505 0.771 17995
1489 1 4 . 1 1 39 39 LEU H H 17 8.233 8.233 8.018 0.215 17995
1490 1 4 . 1 1 40 40 GLY N N 18 109.665 109.665 108.267 1.398 17995
1491 1 4 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.834 -0.528 17995
1492 1 4 . 1 1 40 40 GLY H H 18 8.678 8.678 8.024 0.654 17995
1493 1 4 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.283 -0.155 17995
1494 1 4 . 1 1 41 41 GLU C C 19 178.328 178.328 178.119 0.209 17995
1495 1 4 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.158 1.106 17995
1496 1 4 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.690 -0.610 17995
1497 1 4 . 1 1 42 42 ARG N N 20 118.936 118.936 119.495 -0.559 17995
1498 1 4 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.115 0.060 17995
1499 1 4 . 1 1 42 42 ARG C C 20 178.912 178.912 177.774 1.138 17995
1500 1 4 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.540 -0.303 17995
1501 1 4 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.325 -0.269 17995
1502 1 4 . 1 1 42 42 ARG H H 20 7.979 7.979 7.729 0.250 17995
1503 1 4 . 1 1 43 43 LYS N N 21 119.087 119.087 114.364 4.723 17995
1504 1 4 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.092 -0.344 17995
1505 1 4 . 1 1 43 43 LYS C C 21 176.559 176.559 177.427 -0.868 17995
1506 1 4 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.657 0.441 17995
1507 1 4 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.647 0.334 17995
1508 1 4 . 1 1 43 43 LYS H H 21 7.719 7.719 7.942 -0.223 17995
1509 1 4 . 1 1 44 44 HIS N N 22 115.571 115.571 118.579 -3.008 17995
1510 1 4 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.458 -0.030 17995
1511 1 4 . 1 1 44 44 HIS C C 22 176.288 176.288 175.995 0.293 17995
1512 1 4 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.128 -0.344 17995
1513 1 4 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.968 -0.498 17995
1514 1 4 . 1 1 44 44 HIS H H 22 7.124 7.124 7.717 -0.593 17995
1515 1 4 . 1 1 45 45 THR N N 23 107.890 107.890 113.335 -5.445 17995
1516 1 4 . 1 1 45 45 THR HA H 23 4.355 4.355 4.078 0.277 17995
1517 1 4 . 1 1 45 45 THR C C 23 174.650 174.650 174.836 -0.186 17995
1518 1 4 . 1 1 45 45 THR CA C 23 61.627 61.627 62.583 -0.956 17995
1519 1 4 . 1 1 45 45 THR CB C 23 69.475 69.475 68.945 0.530 17995
1520 1 4 . 1 1 45 45 THR H H 23 7.441 7.441 7.450 -0.009 17995
1521 1 4 . 1 1 46 46 LEU N N 24 121.435 121.435 119.921 1.514 17995
1522 1 4 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.903 -0.280 17995
1523 1 4 . 1 1 46 46 LEU C C 24 176.537 176.537 175.571 0.966 17995
1524 1 4 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.083 1.507 17995
1525 1 4 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.600 0.517 17995
1526 1 4 . 1 1 46 46 LEU H H 24 7.059 7.059 7.440 -0.381 17995
1527 1 4 . 1 1 47 47 THR N N 25 116.104 116.104 110.371 5.733 17995
1528 1 4 . 1 1 47 47 THR HA H 25 4.605 4.605 4.615 -0.010 17995
1529 1 4 . 1 1 47 47 THR C C 25 175.526 175.526 175.509 0.017 17995
1530 1 4 . 1 1 47 47 THR CA C 25 59.878 59.878 59.846 0.032 17995
1531 1 4 . 1 1 47 47 THR CB C 25 71.752 71.752 70.830 0.922 17995
1532 1 4 . 1 1 47 47 THR H H 25 9.432 9.432 7.901 1.531 17995
1533 1 4 . 1 1 48 48 ALA N N 26 122.234 122.234 120.813 1.421 17995
1534 1 4 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.196 -0.387 17995
1535 1 4 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.570 1.023 17995
1536 1 4 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.428 0.226 17995
1537 1 4 . 1 1 48 48 ALA H H 26 9.142 9.142 8.562 0.580 17995
1538 1 4 . 1 1 49 49 SER HA H 27 4.448 4.448 4.451 -0.003 17995
1539 1 4 . 1 1 49 49 SER C C 27 174.637 174.637 173.909 0.728 17995
1540 1 4 . 1 1 49 49 SER CA C 27 58.348 58.348 57.345 1.003 17995
1541 1 4 . 1 1 49 49 SER CB C 27 63.704 63.704 62.956 0.748 17995
1542 1 4 . 1 1 50 50 SER N N 28 122.032 122.032 118.795 3.237 17995
1543 1 4 . 1 1 50 50 SER HA H 28 4.269 4.269 4.487 -0.218 17995
1544 1 4 . 1 1 50 50 SER C C 28 172.904 172.904 174.056 -1.152 17995
1545 1 4 . 1 1 50 50 SER CA C 28 60.846 60.846 58.230 2.616 17995
1546 1 4 . 1 1 50 50 SER CB C 28 63.063 63.063 63.563 -0.500 17995
1547 1 4 . 1 1 50 50 SER H H 28 8.157 8.157 7.588 0.569 17995
1548 1 4 . 1 1 51 51 VAL N N 29 127.079 127.079 125.741 1.338 17995
1549 1 4 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.153 0.189 17995
1550 1 4 . 1 1 51 51 VAL C C 29 176.612 176.612 175.939 0.673 17995
1551 1 4 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.932 -0.484 17995
1552 1 4 . 1 1 51 51 VAL CB C 29 32.225 32.225 31.857 0.368 17995
1553 1 4 . 1 1 51 51 VAL H H 29 8.505 8.505 8.696 -0.191 17995
1554 1 4 . 1 1 52 52 LEU N N 30 126.014 126.014 123.299 2.715 17995
1555 1 4 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.576 0.219 17995
1556 1 4 . 1 1 52 52 LEU C C 30 176.569 176.569 177.679 -1.110 17995
1557 1 4 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.732 -1.200 17995
1558 1 4 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.266 -2.262 17995
1559 1 4 . 1 1 52 52 LEU H H 30 7.954 7.954 7.872 0.082 17995
1560 1 4 . 1 1 53 53 LEU N N 31 122.601 122.601 119.036 3.565 17995
1561 1 4 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.931 0.155 17995
1562 1 4 . 1 1 53 53 LEU C C 31 177.683 177.683 178.257 -0.574 17995
1563 1 4 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.534 0.840 17995
1564 1 4 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.065 0.754 17995
1565 1 4 . 1 1 53 53 LEU H H 31 7.777 7.777 7.676 0.101 17995
1566 1 4 . 1 1 54 54 GLY N N 32 114.941 114.941 113.467 1.474 17995
1567 1 4 . 1 1 54 54 GLY C C 32 173.612 173.612 174.552 -0.940 17995
1568 1 4 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.863 -0.305 17995
1569 1 4 . 1 1 54 54 GLY H H 32 9.121 9.121 9.096 0.025 17995
1570 1 4 . 1 1 55 55 ASN N N 33 117.901 117.901 119.062 -1.161 17995
1571 1 4 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.731 0.199 17995
1572 1 4 . 1 1 55 55 ASN C C 33 174.458 174.458 175.866 -1.408 17995
1573 1 4 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.057 -0.238 17995
1574 1 4 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.170 2.377 17995
1575 1 4 . 1 1 55 55 ASN H H 33 7.789 7.789 8.075 -0.286 17995
1576 1 4 . 1 1 56 56 ILE N N 34 120.163 120.163 122.700 -2.537 17995
1577 1 4 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.398 0.139 17995
1578 1 4 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.792 0.209 17995
1579 1 4 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.445 1.648 17995
1580 1 4 . 1 1 56 56 ILE H H 34 7.703 7.703 7.882 -0.179 17995
1581 1 4 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.487 -0.314 17995
1582 1 4 . 1 1 57 57 PRO C C 35 177.969 177.969 176.772 1.197 17995
1583 1 4 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.118 1.158 17995
1584 1 4 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.038 -0.104 17995
1585 1 4 . 1 1 58 58 GLU N N 36 116.701 116.701 117.650 -0.949 17995
1586 1 4 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.366 -0.394 17995
1587 1 4 . 1 1 58 58 GLU C C 36 176.612 176.612 175.660 0.952 17995
1588 1 4 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.016 3.331 17995
1589 1 4 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.209 0.624 17995
1590 1 4 . 1 1 58 58 GLU H H 36 9.581 9.581 8.308 1.273 17995
1591 1 4 . 1 1 59 59 LEU N N 37 121.189 121.189 124.064 -2.875 17995
1592 1 4 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.284 0.028 17995
1593 1 4 . 1 1 59 59 LEU C C 37 173.353 173.353 175.583 -2.230 17995
1594 1 4 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.632 -1.354 17995
1595 1 4 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.789 -0.790 17995
1596 1 4 . 1 1 59 59 LEU H H 37 7.560 7.560 7.212 0.348 17995
1597 1 4 . 1 1 60 60 ASP N N 38 126.468 126.468 125.562 0.906 17995
1598 1 4 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.769 -0.054 17995
1599 1 4 . 1 1 60 60 ASP C C 38 175.828 175.828 177.209 -1.381 17995
1600 1 4 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.817 -0.897 17995
1601 1 4 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.994 -2.438 17995
1602 1 4 . 1 1 60 60 ASP H H 38 7.527 7.527 7.685 -0.158 17995
1603 1 4 . 1 1 61 61 SER N N 39 113.128 113.128 116.983 -3.855 17995
1604 1 4 . 1 1 61 61 SER HA H 39 4.019 4.019 4.103 -0.084 17995
1605 1 4 . 1 1 61 61 SER C C 39 175.854 175.854 176.871 -1.017 17995
1606 1 4 . 1 1 61 61 SER CA C 39 61.276 61.276 61.174 0.102 17995
1607 1 4 . 1 1 61 61 SER CB C 39 65.520 65.520 62.970 2.550 17995
1608 1 4 . 1 1 61 61 SER H H 39 8.623 8.623 8.538 0.085 17995
1609 1 4 . 1 1 62 62 MET N N 40 121.706 121.706 120.230 1.476 17995
1610 1 4 . 1 1 62 62 MET HA H 40 4.303 4.303 4.111 0.192 17995
1611 1 4 . 1 1 62 62 MET C C 40 177.755 177.755 178.293 -0.538 17995
1612 1 4 . 1 1 62 62 MET CA C 40 57.714 57.714 56.275 1.440 17995
1613 1 4 . 1 1 62 62 MET CB C 40 32.386 32.386 31.050 1.336 17995
1614 1 4 . 1 1 62 62 MET H H 40 7.802 7.802 8.340 -0.538 17995
1615 1 4 . 1 1 63 63 ALA N N 41 124.277 124.277 120.389 3.888 17995
1616 1 4 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.131 0.040 17995
1617 1 4 . 1 1 63 63 ALA C C 41 179.893 179.893 179.250 0.643 17995
1618 1 4 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.769 0.332 17995
1619 1 4 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.831 1.825 17995
1620 1 4 . 1 1 63 63 ALA H H 41 8.295 8.295 8.136 0.159 17995
1621 1 4 . 1 1 64 64 VAL N N 42 118.186 118.186 115.856 2.330 17995
1622 1 4 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.355 -0.362 17995
1623 1 4 . 1 1 64 64 VAL C C 42 177.327 177.327 177.257 0.070 17995
1624 1 4 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.303 2.009 17995
1625 1 4 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.194 -0.002 17995
1626 1 4 . 1 1 64 64 VAL H H 42 8.019 8.019 7.212 0.807 17995
1627 1 4 . 1 1 65 65 VAL N N 43 118.361 118.361 121.265 -2.904 17995
1628 1 4 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.460 0.104 17995
1629 1 4 . 1 1 65 65 VAL C C 43 178.520 178.520 178.028 0.492 17995
1630 1 4 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.449 0.108 17995
1631 1 4 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.194 0.306 17995
1632 1 4 . 1 1 65 65 VAL H H 43 6.942 6.942 7.291 -0.349 17995
1633 1 4 . 1 1 66 66 ASN N N 44 119.476 119.476 118.398 1.078 17995
1634 1 4 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.459 0.103 17995
1635 1 4 . 1 1 66 66 ASN C C 44 178.760 178.760 177.859 0.901 17995
1636 1 4 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.222 -0.386 17995
1637 1 4 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.103 -0.297 17995
1638 1 4 . 1 1 66 66 ASN H H 44 7.789 7.789 7.977 -0.188 17995
1639 1 4 . 1 1 67 67 VAL N N 45 124.029 124.029 117.763 6.266 17995
1640 1 4 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.953 -0.335 17995
1641 1 4 . 1 1 67 67 VAL C C 45 177.100 177.100 177.474 -0.374 17995
1642 1 4 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.871 1.495 17995
1643 1 4 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.427 0.033 17995
1644 1 4 . 1 1 67 67 VAL H H 45 9.055 9.055 7.768 1.287 17995
1645 1 4 . 1 1 68 68 ILE N N 46 121.006 121.006 122.572 -1.566 17995
1646 1 4 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.657 0.131 17995
1647 1 4 . 1 1 68 68 ILE C C 46 177.871 177.871 177.830 0.041 17995
1648 1 4 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.813 -0.551 17995
1649 1 4 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.373 -1.206 17995
1650 1 4 . 1 1 68 68 ILE H H 46 8.509 8.509 7.680 0.829 17995
1651 1 4 . 1 1 69 69 THR N N 47 116.096 116.096 116.214 -0.118 17995
1652 1 4 . 1 1 69 69 THR HA H 47 4.391 4.391 3.850 0.541 17995
1653 1 4 . 1 1 69 69 THR C C 47 176.365 176.365 176.108 0.257 17995
1654 1 4 . 1 1 69 69 THR CA C 47 66.256 66.256 67.281 -1.025 17995
1655 1 4 . 1 1 69 69 THR CB C 47 69.098 69.098 68.211 0.887 17995
1656 1 4 . 1 1 69 69 THR H H 47 8.512 8.512 7.951 0.561 17995
1657 1 4 . 1 1 70 70 ALA N N 48 123.948 123.948 123.787 0.161 17995
1658 1 4 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.013 0.290 17995
1659 1 4 . 1 1 70 70 ALA C C 48 181.452 181.452 179.596 1.856 17995
1660 1 4 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.143 0.040 17995
1661 1 4 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.258 1.165 17995
1662 1 4 . 1 1 70 70 ALA H H 48 7.802 7.802 7.841 -0.039 17995
1663 1 4 . 1 1 71 71 LEU N N 49 121.199 121.199 119.391 1.808 17995
1664 1 4 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.105 0.118 17995
1665 1 4 . 1 1 71 71 LEU C C 49 178.192 178.192 179.694 -1.502 17995
1666 1 4 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.140 0.421 17995
1667 1 4 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.819 1.631 17995
1668 1 4 . 1 1 71 71 LEU H H 49 8.802 8.802 8.211 0.591 17995
1669 1 4 . 1 1 72 72 GLU N N 50 119.782 119.782 118.219 1.563 17995
1670 1 4 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.989 -0.499 17995
1671 1 4 . 1 1 72 72 GLU C C 50 180.303 180.303 179.943 0.360 17995
1672 1 4 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.106 0.745 17995
1673 1 4 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.882 2.226 17995
1674 1 4 . 1 1 72 72 GLU H H 50 8.762 8.762 8.111 0.651 17995
1675 1 4 . 1 1 73 73 GLU N N 51 116.902 116.902 119.748 -2.846 17995
1676 1 4 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995
1677 1 4 . 1 1 73 73 GLU C C 51 178.334 178.334 178.773 -0.439 17995
1678 1 4 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.682 -0.064 17995
1679 1 4 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.331 0.751 17995
1680 1 4 . 1 1 73 73 GLU H H 51 7.953 7.953 7.996 -0.043 17995
1681 1 4 . 1 1 74 74 TYR N N 52 119.999 119.999 116.801 3.198 17995
1682 1 4 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.407 -0.525 17995
1683 1 4 . 1 1 74 74 TYR C C 52 177.384 177.384 178.196 -0.812 17995
1684 1 4 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.662 0.938 17995
1685 1 4 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.779 0.866 17995
1686 1 4 . 1 1 74 74 TYR H H 52 8.078 8.078 7.941 0.137 17995
1687 1 4 . 1 1 75 75 PHE N N 53 113.650 113.650 115.302 -1.652 17995
1688 1 4 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.490 -0.304 17995
1689 1 4 . 1 1 75 75 PHE C C 53 174.485 174.485 175.616 -1.131 17995
1690 1 4 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.082 0.162 17995
1691 1 4 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.378 0.662 17995
1692 1 4 . 1 1 75 75 PHE H H 53 8.244 8.244 8.295 -0.051 17995
1693 1 4 . 1 1 76 76 ASP N N 54 119.712 119.712 119.793 -0.081 17995
1694 1 4 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.565 -0.185 17995
1695 1 4 . 1 1 76 76 ASP C C 54 174.118 174.118 174.987 -0.869 17995
1696 1 4 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.355 -0.492 17995
1697 1 4 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.544 -0.388 17995
1698 1 4 . 1 1 76 76 ASP H H 54 7.596 7.596 8.195 -0.599 17995
1699 1 4 . 1 1 77 77 PHE N N 55 113.804 113.804 117.745 -3.941 17995
1700 1 4 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.968 0.107 17995
1701 1 4 . 1 1 77 77 PHE C C 55 174.384 174.384 173.228 1.156 17995
1702 1 4 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.191 -1.755 17995
1703 1 4 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.246 0.384 17995
1704 1 4 . 1 1 77 77 PHE H H 55 7.725 7.725 7.892 -0.167 17995
1705 1 4 . 1 1 78 78 SER N N 56 114.319 114.319 115.366 -1.047 17995
1706 1 4 . 1 1 78 78 SER HA H 56 5.149 5.149 4.717 0.432 17995
1707 1 4 . 1 1 78 78 SER C C 56 174.100 174.100 172.933 1.167 17995
1708 1 4 . 1 1 78 78 SER CA C 56 56.800 56.800 56.125 0.675 17995
1709 1 4 . 1 1 78 78 SER CB C 56 65.011 65.011 63.860 1.151 17995
1710 1 4 . 1 1 78 78 SER H H 56 8.727 8.727 8.255 0.472 17995
1711 1 4 . 1 1 79 79 VAL N N 57 128.316 128.316 128.075 0.241 17995
1712 1 4 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.950 0.294 17995
1713 1 4 . 1 1 79 79 VAL C C 57 175.637 175.637 175.509 0.128 17995
1714 1 4 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.919 -1.165 17995
1715 1 4 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.908 0.965 17995
1716 1 4 . 1 1 79 79 VAL H H 57 10.222 10.222 8.004 2.218 17995
1717 1 4 . 1 1 80 80 ASP N N 58 130.058 130.058 126.750 3.308 17995
1718 1 4 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.537 0.309 17995
1719 1 4 . 1 1 80 80 ASP C C 58 177.205 177.205 177.453 -0.248 17995
1720 1 4 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.227 -0.751 17995
1721 1 4 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.115 -0.450 17995
1722 1 4 . 1 1 80 80 ASP H H 58 9.396 9.396 8.178 1.218 17995
1723 1 4 . 1 1 81 81 ASP N N 59 122.564 122.564 125.504 -2.940 17995
1724 1 4 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.326 -0.046 17995
1725 1 4 . 1 1 81 81 ASP C C 59 177.291 177.291 177.585 -0.294 17995
1726 1 4 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.536 -0.076 17995
1727 1 4 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.017 -0.287 17995
1728 1 4 . 1 1 81 81 ASP H H 59 8.696 8.696 8.886 -0.190 17995
1729 1 4 . 1 1 82 82 ASP N N 60 115.817 115.817 119.381 -3.564 17995
1730 1 4 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.550 0.009 17995
1731 1 4 . 1 1 82 82 ASP C C 60 176.939 176.939 177.335 -0.396 17995
1732 1 4 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.136 -1.274 17995
1733 1 4 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.044 -0.629 17995
1734 1 4 . 1 1 82 82 ASP H H 60 8.460 8.460 8.183 0.277 17995
1735 1 4 . 1 1 83 83 GLU N N 61 118.478 118.478 116.889 1.589 17995
1736 1 4 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.548 -0.247 17995
1737 1 4 . 1 1 83 83 GLU C C 61 175.841 175.841 176.324 -0.483 17995
1738 1 4 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.285 1.020 17995
1739 1 4 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.708 0.783 17995
1740 1 4 . 1 1 83 83 GLU H H 61 7.903 7.903 7.776 0.127 17995
1741 1 4 . 1 1 84 84 ILE N N 62 117.759 117.759 121.979 -4.220 17995
1742 1 4 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.964 0.201 17995
1743 1 4 . 1 1 84 84 ILE C C 62 174.069 174.069 175.264 -1.195 17995
1744 1 4 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.814 -2.320 17995
1745 1 4 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.061 2.074 17995
1746 1 4 . 1 1 84 84 ILE H H 62 7.396 7.396 7.297 0.099 17995
1747 1 4 . 1 1 85 85 SER N N 63 119.980 119.980 121.729 -1.749 17995
1748 1 4 . 1 1 85 85 SER HA H 63 4.789 4.789 4.797 -0.008 17995
1749 1 4 . 1 1 85 85 SER CA C 63 56.772 56.772 56.374 0.398 17995
1750 1 4 . 1 1 85 85 SER CB C 63 66.916 66.916 66.269 0.647 17995
1751 1 4 . 1 1 85 85 SER H H 63 8.384 8.384 8.129 0.255 17995
1752 1 4 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.311 -0.284 17995
1753 1 4 . 1 1 86 86 ALA C C 64 180.211 180.211 179.278 0.933 17995
1754 1 4 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.693 0.808 17995
1755 1 4 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.686 -0.676 17995
1756 1 4 . 1 1 87 87 GLN N N 65 116.123 116.123 115.013 1.110 17995
1757 1 4 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.253 -0.188 17995
1758 1 4 . 1 1 87 87 GLN C C 65 178.564 178.564 177.005 1.559 17995
1759 1 4 . 1 1 87 87 GLN CA C 65 58.739 58.739 56.628 2.111 17995
1760 1 4 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.180 0.263 17995
1761 1 4 . 1 1 87 87 GLN H H 65 7.990 7.990 7.795 0.195 17995
1762 1 4 . 1 1 88 88 THR N N 66 119.153 119.153 114.011 5.142 17995
1763 1 4 . 1 1 88 88 THR HA H 66 3.631 3.631 3.922 -0.291 17995
1764 1 4 . 1 1 88 88 THR C C 66 174.748 174.748 175.518 -0.770 17995
1765 1 4 . 1 1 88 88 THR CA C 66 66.591 66.591 64.759 1.832 17995
1766 1 4 . 1 1 88 88 THR CB C 66 68.702 68.702 68.728 -0.026 17995
1767 1 4 . 1 1 88 88 THR H H 66 7.738 7.738 7.405 0.333 17995
1768 1 4 . 1 1 89 89 PHE N N 67 115.088 115.088 117.859 -2.771 17995
1769 1 4 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.573 -0.336 17995
1770 1 4 . 1 1 89 89 PHE C C 67 173.600 173.600 176.005 -2.405 17995
1771 1 4 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.275 0.247 17995
1772 1 4 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.760 1.946 17995
1773 1 4 . 1 1 89 89 PHE H H 67 7.180 7.180 7.546 -0.366 17995
1774 1 4 . 1 1 90 90 GLU N N 68 122.222 122.222 119.080 3.142 17995
1775 1 4 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.104 0.063 17995
1776 1 4 . 1 1 90 90 GLU C C 68 178.581 178.581 177.016 1.565 17995
1777 1 4 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.053 1.673 17995
1778 1 4 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.968 0.780 17995
1779 1 4 . 1 1 90 90 GLU H H 68 7.421 7.421 7.896 -0.475 17995
1780 1 4 . 1 1 91 91 THR N N 69 106.383 106.383 111.165 -4.782 17995
1781 1 4 . 1 1 91 91 THR HA H 69 5.477 5.477 4.775 0.702 17995
1782 1 4 . 1 1 91 91 THR C C 69 174.775 174.775 174.135 0.640 17995
1783 1 4 . 1 1 91 91 THR CA C 69 58.798 58.798 60.485 -1.687 17995
1784 1 4 . 1 1 91 91 THR CB C 69 74.841 74.841 71.579 3.262 17995
1785 1 4 . 1 1 91 91 THR H H 69 8.534 8.534 7.386 1.148 17995
1786 1 4 . 1 1 92 92 LEU N N 70 120.326 120.326 125.647 -5.321 17995
1787 1 4 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.099 0.044 17995
1788 1 4 . 1 1 92 92 LEU C C 70 178.174 178.174 177.895 0.279 17995
1789 1 4 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.574 0.692 17995
1790 1 4 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.261 -1.391 17995
1791 1 4 . 1 1 92 92 LEU H H 70 7.991 7.991 8.673 -0.682 17995
1792 1 4 . 1 1 93 93 GLY N N 71 106.588 106.588 105.066 1.522 17995
1793 1 4 . 1 1 93 93 GLY C C 71 175.300 175.300 176.094 -0.794 17995
1794 1 4 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.565 -0.228 17995
1795 1 4 . 1 1 93 93 GLY H H 71 9.019 9.019 8.463 0.556 17995
1796 1 4 . 1 1 94 94 SER N N 72 120.200 120.200 118.624 1.576 17995
1797 1 4 . 1 1 94 94 SER HA H 72 4.090 4.090 4.310 -0.220 17995
1798 1 4 . 1 1 94 94 SER C C 72 177.631 177.631 176.782 0.849 17995
1799 1 4 . 1 1 94 94 SER CA C 72 62.329 62.329 62.138 0.191 17995
1800 1 4 . 1 1 94 94 SER H H 72 8.709 8.709 7.429 1.280 17995
1801 1 4 . 1 1 95 95 LEU N N 73 129.169 129.169 121.195 7.974 17995
1802 1 4 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.874 0.366 17995
1803 1 4 . 1 1 95 95 LEU C C 73 176.439 176.439 178.973 -2.534 17995
1804 1 4 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.284 0.518 17995
1805 1 4 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.308 1.551 17995
1806 1 4 . 1 1 95 95 LEU H H 73 7.800 7.800 7.453 0.347 17995
1807 1 4 . 1 1 96 96 ALA N N 74 121.721 121.721 122.800 -1.079 17995
1808 1 4 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.000 -0.011 17995
1809 1 4 . 1 1 96 96 ALA C C 74 180.456 180.456 179.876 0.580 17995
1810 1 4 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.234 0.468 17995
1811 1 4 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.422 -0.707 17995
1812 1 4 . 1 1 96 96 ALA H H 74 8.612 8.612 8.017 0.595 17995
1813 1 4 . 1 1 97 97 LEU N N 75 122.095 122.095 119.244 2.851 17995
1814 1 4 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.868 0.189 17995
1815 1 4 . 1 1 97 97 LEU C C 75 178.805 178.805 179.122 -0.317 17995
1816 1 4 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.449 0.320 17995
1817 1 4 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.144 1.678 17995
1818 1 4 . 1 1 97 97 LEU H H 75 8.777 8.777 7.988 0.789 17995
1819 1 4 . 1 1 98 98 PHE N N 76 122.741 122.741 117.997 4.744 17995
1820 1 4 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.998 0.264 17995
1821 1 4 . 1 1 98 98 PHE C C 76 176.878 176.878 178.529 -1.651 17995
1822 1 4 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.353 -1.121 17995
1823 1 4 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.514 0.035 17995
1824 1 4 . 1 1 98 98 PHE H H 76 7.889 7.889 8.126 -0.237 17995
1825 1 4 . 1 1 99 99 VAL N N 77 119.641 119.641 115.432 4.209 17995
1826 1 4 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.512 -0.734 17995
1827 1 4 . 1 1 99 99 VAL C C 77 176.414 176.414 177.787 -1.373 17995
1828 1 4 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.896 1.072 17995
1829 1 4 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.140 0.046 17995
1830 1 4 . 1 1 99 99 VAL H H 77 7.599 7.599 7.906 -0.307 17995
1831 1 4 . 1 1 100 100 GLU N N 78 118.850 118.850 121.885 -3.035 17995
1832 1 4 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.208 -0.435 17995
1833 1 4 . 1 1 100 100 GLU C C 78 179.007 179.007 179.088 -0.081 17995
1834 1 4 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.264 0.276 17995
1835 1 4 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.828 0.950 17995
1836 1 4 . 1 1 100 100 GLU H H 78 7.740 7.740 8.177 -0.437 17995
1837 1 4 . 1 1 101 101 HIS N N 79 120.328 120.328 118.619 1.709 17995
1838 1 4 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.032 0.169 17995
1839 1 4 . 1 1 101 101 HIS C C 79 178.242 178.242 177.761 0.481 17995
1840 1 4 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.183 1.055 17995
1841 1 4 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.872 0.066 17995
1842 1 4 . 1 1 101 101 HIS H H 79 8.354 8.354 7.579 0.775 17995
1843 1 4 . 1 1 102 102 LYS N N 80 121.044 121.044 118.302 2.742 17995
1844 1 4 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.320 -0.753 17995
1845 1 4 . 1 1 102 102 LYS C C 80 179.199 179.199 179.199 0.000 17995
1846 1 4 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.651 -1.664 17995
1847 1 4 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.029 -1.853 17995
1848 1 4 . 1 1 102 102 LYS H H 80 7.908 7.908 7.983 -0.075 17995
1849 1 4 . 1 1 103 103 LEU N N 81 118.698 118.698 118.146 0.552 17995
1850 1 4 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.309 -0.151 17995
1851 1 4 . 1 1 103 103 LEU C C 81 178.593 178.593 178.198 0.395 17995
1852 1 4 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.034 0.362 17995
1853 1 4 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.680 1.629 17995
1854 1 4 . 1 1 103 103 LEU H H 81 7.784 7.784 7.671 0.113 17995
1855 1 4 . 1 1 104 104 SER N N 82 114.826 114.826 112.938 1.888 17995
1856 1 4 . 1 1 104 104 SER HA H 82 4.358 4.358 4.445 -0.087 17995
1857 1 4 . 1 1 104 104 SER C C 82 174.810 174.810 174.384 0.426 17995
1858 1 4 . 1 1 104 104 SER CA C 82 59.567 59.567 59.384 0.183 17995
1859 1 4 . 1 1 104 104 SER CB C 82 63.859 63.859 63.542 0.317 17995
1860 1 4 . 1 1 104 104 SER H H 82 7.738 7.738 7.563 0.175 17995
1861 1 5 . 1 1 24 24 GLN N N 2 121.730 121.730 119.655 2.075 17995
1862 1 5 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.378 -0.416 17995
1863 1 5 . 1 1 24 24 GLN C C 2 177.291 177.291 178.057 -0.766 17995
1864 1 5 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.586 0.805 17995
1865 1 5 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.364 -0.654 17995
1866 1 5 . 1 1 24 24 GLN H H 2 8.511 8.511 9.121 -0.610 17995
1867 1 5 . 1 1 25 25 HIS N N 3 116.878 116.878 119.430 -2.552 17995
1868 1 5 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.509 0.594 17995
1869 1 5 . 1 1 25 25 HIS C C 3 175.501 175.501 177.575 -2.074 17995
1870 1 5 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.553 -2.206 17995
1871 1 5 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.030 0.597 17995
1872 1 5 . 1 1 25 25 HIS H H 3 8.216 8.216 8.340 -0.124 17995
1873 1 5 . 1 1 26 26 LEU N N 4 121.540 121.540 118.918 2.622 17995
1874 1 5 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.109 -0.416 17995
1875 1 5 . 1 1 26 26 LEU C C 4 177.649 177.649 178.345 -0.696 17995
1876 1 5 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.300 1.403 17995
1877 1 5 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.186 1.149 17995
1878 1 5 . 1 1 26 26 LEU H H 4 7.447 7.447 8.136 -0.689 17995
1879 1 5 . 1 1 27 27 GLU N N 5 118.441 118.441 120.336 -1.895 17995
1880 1 5 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.938 -0.047 17995
1881 1 5 . 1 1 27 27 GLU C C 5 178.162 178.162 178.202 -0.040 17995
1882 1 5 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.167 0.455 17995
1883 1 5 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.454 -0.377 17995
1884 1 5 . 1 1 27 27 GLU H H 5 8.561 8.561 7.761 0.799 17995
1885 1 5 . 1 1 28 28 ALA N N 6 122.005 122.005 121.315 0.690 17995
1886 1 5 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.082 0.050 17995
1887 1 5 . 1 1 28 28 ALA C C 6 180.421 180.421 179.637 0.784 17995
1888 1 5 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.949 0.330 17995
1889 1 5 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.376 0.390 17995
1890 1 5 . 1 1 28 28 ALA H H 6 8.205 8.205 8.389 -0.184 17995
1891 1 5 . 1 1 29 29 VAL N N 7 116.985 116.985 119.926 -2.941 17995
1892 1 5 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.575 -0.066 17995
1893 1 5 . 1 1 29 29 VAL C C 7 177.034 177.034 177.526 -0.492 17995
1894 1 5 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.960 0.403 17995
1895 1 5 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.718 -0.279 17995
1896 1 5 . 1 1 29 29 VAL H H 7 8.392 8.392 8.058 0.334 17995
1897 1 5 . 1 1 30 30 ARG N N 8 121.674 121.674 118.991 2.683 17995
1898 1 5 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.021 -0.357 17995
1899 1 5 . 1 1 30 30 ARG C C 8 177.810 177.810 178.514 -0.704 17995
1900 1 5 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.310 1.215 17995
1901 1 5 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.446 1.220 17995
1902 1 5 . 1 1 30 30 ARG H H 8 8.784 8.784 8.213 0.571 17995
1903 1 5 . 1 1 31 31 ASN N N 9 118.102 118.102 118.741 -0.639 17995
1904 1 5 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.554 -0.271 17995
1905 1 5 . 1 1 31 31 ASN C C 9 177.890 177.890 177.278 0.612 17995
1906 1 5 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.092 0.162 17995
1907 1 5 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.357 -0.769 17995
1908 1 5 . 1 1 31 31 ASN H H 9 8.144 8.144 7.861 0.283 17995
1909 1 5 . 1 1 32 32 ILE N N 10 123.614 123.614 120.491 3.123 17995
1910 1 5 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.681 0.111 17995
1911 1 5 . 1 1 32 32 ILE C C 10 177.810 177.810 178.244 -0.434 17995
1912 1 5 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.622 -0.364 17995
1913 1 5 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.018 0.716 17995
1914 1 5 . 1 1 32 32 ILE H H 10 8.137 8.137 7.825 0.312 17995
1915 1 5 . 1 1 33 33 LEU N N 11 119.797 119.797 120.110 -0.313 17995
1916 1 5 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.068 -0.282 17995
1917 1 5 . 1 1 33 33 LEU C C 11 179.039 179.039 179.277 -0.238 17995
1918 1 5 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.797 -0.087 17995
1919 1 5 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.161 0.915 17995
1920 1 5 . 1 1 33 33 LEU H H 11 8.637 8.637 8.570 0.067 17995
1921 1 5 . 1 1 34 34 GLY N N 12 103.682 103.682 105.579 -1.897 17995
1922 1 5 . 1 1 34 34 GLY C C 12 175.242 175.242 175.975 -0.733 17995
1923 1 5 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.902 0.816 17995
1924 1 5 . 1 1 34 34 GLY H H 12 8.513 8.513 8.253 0.260 17995
1925 1 5 . 1 1 35 35 ASP N N 13 122.235 122.235 122.850 -0.615 17995
1926 1 5 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.605 -0.020 17995
1927 1 5 . 1 1 35 35 ASP C C 13 179.013 179.013 178.902 0.111 17995
1928 1 5 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.490 -0.574 17995
1929 1 5 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.003 0.043 17995
1930 1 5 . 1 1 35 35 ASP H H 13 7.968 7.968 7.796 0.172 17995
1931 1 5 . 1 1 36 36 VAL N N 14 120.841 120.841 119.902 0.939 17995
1932 1 5 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.844 -0.167 17995
1933 1 5 . 1 1 36 36 VAL C C 14 177.797 177.797 177.880 -0.083 17995
1934 1 5 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.732 0.272 17995
1935 1 5 . 1 1 36 36 VAL CB C 14 32.232 32.232 31.821 0.411 17995
1936 1 5 . 1 1 36 36 VAL H H 14 8.765 8.765 7.955 0.810 17995
1937 1 5 . 1 1 37 37 LEU N N 15 114.630 114.630 115.560 -0.930 17995
1938 1 5 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.322 -0.041 17995
1939 1 5 . 1 1 37 37 LEU C C 15 175.483 175.483 176.201 -0.718 17995
1940 1 5 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.763 -0.593 17995
1941 1 5 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.809 -1.115 17995
1942 1 5 . 1 1 37 37 LEU H H 15 7.942 7.942 8.089 -0.147 17995
1943 1 5 . 1 1 38 38 ASN N N 16 116.887 116.887 115.398 1.489 17995
1944 1 5 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.417 0.117 17995
1945 1 5 . 1 1 38 38 ASN C C 16 175.668 175.668 175.564 0.104 17995
1946 1 5 . 1 1 38 38 ASN CA C 16 53.920 53.920 54.157 -0.237 17995
1947 1 5 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.673 -0.815 17995
1948 1 5 . 1 1 38 38 ASN H H 16 7.561 7.561 8.082 -0.521 17995
1949 1 5 . 1 1 39 39 LEU N N 17 114.676 114.676 119.460 -4.784 17995
1950 1 5 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.038 0.032 17995
1951 1 5 . 1 1 39 39 LEU C C 17 178.415 178.415 178.276 0.139 17995
1952 1 5 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.757 -1.013 17995
1953 1 5 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.002 1.274 17995
1954 1 5 . 1 1 39 39 LEU H H 17 8.233 8.233 7.924 0.309 17995
1955 1 5 . 1 1 40 40 GLY N N 18 109.665 109.665 107.012 2.653 17995
1956 1 5 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.904 -0.599 17995
1957 1 5 . 1 1 40 40 GLY H H 18 8.678 8.678 8.100 0.578 17995
1958 1 5 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.235 -0.107 17995
1959 1 5 . 1 1 41 41 GLU C C 19 178.328 178.328 177.993 0.335 17995
1960 1 5 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.264 1.000 17995
1961 1 5 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.113 -1.033 17995
1962 1 5 . 1 1 42 42 ARG N N 20 118.936 118.936 119.890 -0.954 17995
1963 1 5 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.087 0.088 17995
1964 1 5 . 1 1 42 42 ARG C C 20 178.912 178.912 177.572 1.340 17995
1965 1 5 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.696 -0.459 17995
1966 1 5 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.235 -0.179 17995
1967 1 5 . 1 1 42 42 ARG H H 20 7.979 7.979 7.853 0.126 17995
1968 1 5 . 1 1 43 43 LYS N N 21 119.087 119.087 113.974 5.113 17995
1969 1 5 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.190 -0.442 17995
1970 1 5 . 1 1 43 43 LYS C C 21 176.559 176.559 177.771 -1.212 17995
1971 1 5 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.761 0.337 17995
1972 1 5 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.623 0.357 17995
1973 1 5 . 1 1 43 43 LYS H H 21 7.719 7.719 8.290 -0.571 17995
1974 1 5 . 1 1 44 44 HIS N N 22 115.571 115.571 118.231 -2.660 17995
1975 1 5 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.547 -0.119 17995
1976 1 5 . 1 1 44 44 HIS C C 22 176.288 176.288 175.840 0.448 17995
1977 1 5 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.422 -0.638 17995
1978 1 5 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.771 -0.301 17995
1979 1 5 . 1 1 44 44 HIS H H 22 7.124 7.124 7.782 -0.658 17995
1980 1 5 . 1 1 45 45 THR N N 23 107.890 107.890 112.050 -4.160 17995
1981 1 5 . 1 1 45 45 THR HA H 23 4.355 4.355 4.186 0.169 17995
1982 1 5 . 1 1 45 45 THR C C 23 174.650 174.650 174.709 -0.059 17995
1983 1 5 . 1 1 45 45 THR CA C 23 61.627 61.627 62.518 -0.891 17995
1984 1 5 . 1 1 45 45 THR CB C 23 69.475 69.475 69.219 0.256 17995
1985 1 5 . 1 1 45 45 THR H H 23 7.441 7.441 7.632 -0.191 17995
1986 1 5 . 1 1 46 46 LEU N N 24 121.435 121.435 119.044 2.391 17995
1987 1 5 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.790 -0.167 17995
1988 1 5 . 1 1 46 46 LEU C C 24 176.537 176.537 175.674 0.863 17995
1989 1 5 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.207 1.383 17995
1990 1 5 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.770 0.346 17995
1991 1 5 . 1 1 46 46 LEU H H 24 7.059 7.059 7.152 -0.093 17995
1992 1 5 . 1 1 47 47 THR N N 25 116.104 116.104 113.055 3.049 17995
1993 1 5 . 1 1 47 47 THR HA H 25 4.605 4.605 4.654 -0.049 17995
1994 1 5 . 1 1 47 47 THR C C 25 175.526 175.526 175.433 0.093 17995
1995 1 5 . 1 1 47 47 THR CA C 25 59.878 59.878 59.876 0.002 17995
1996 1 5 . 1 1 47 47 THR CB C 25 71.752 71.752 71.167 0.585 17995
1997 1 5 . 1 1 47 47 THR H H 25 9.432 9.432 7.969 1.463 17995
1998 1 5 . 1 1 48 48 ALA N N 26 122.234 122.234 120.944 1.290 17995
1999 1 5 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.113 -0.304 17995
2000 1 5 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.266 0.327 17995
2001 1 5 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.472 0.182 17995
2002 1 5 . 1 1 48 48 ALA H H 26 9.142 9.142 8.560 0.582 17995
2003 1 5 . 1 1 49 49 SER HA H 27 4.448 4.448 4.423 0.025 17995
2004 1 5 . 1 1 49 49 SER C C 27 174.637 174.637 174.645 -0.008 17995
2005 1 5 . 1 1 49 49 SER CA C 27 58.348 58.348 58.953 -0.605 17995
2006 1 5 . 1 1 49 49 SER CB C 27 63.704 63.704 63.116 0.588 17995
2007 1 5 . 1 1 50 50 SER N N 28 122.032 122.032 118.863 3.169 17995
2008 1 5 . 1 1 50 50 SER HA H 28 4.269 4.269 4.396 -0.127 17995
2009 1 5 . 1 1 50 50 SER C C 28 172.904 172.904 173.989 -1.085 17995
2010 1 5 . 1 1 50 50 SER CA C 28 60.846 60.846 58.857 1.989 17995
2011 1 5 . 1 1 50 50 SER CB C 28 63.063 63.063 64.116 -1.053 17995
2012 1 5 . 1 1 50 50 SER H H 28 8.157 8.157 7.523 0.634 17995
2013 1 5 . 1 1 51 51 VAL N N 29 127.079 127.079 124.312 2.767 17995
2014 1 5 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.324 0.018 17995
2015 1 5 . 1 1 51 51 VAL C C 29 176.612 176.612 175.853 0.759 17995
2016 1 5 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.357 0.091 17995
2017 1 5 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.376 -0.151 17995
2018 1 5 . 1 1 51 51 VAL H H 29 8.505 8.505 8.677 -0.172 17995
2019 1 5 . 1 1 52 52 LEU N N 30 126.014 126.014 125.344 0.670 17995
2020 1 5 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.674 0.121 17995
2021 1 5 . 1 1 52 52 LEU C C 30 176.569 176.569 176.915 -0.346 17995
2022 1 5 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.875 -1.343 17995
2023 1 5 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.847 -1.843 17995
2024 1 5 . 1 1 52 52 LEU H H 30 7.954 7.954 8.287 -0.333 17995
2025 1 5 . 1 1 53 53 LEU N N 31 122.601 122.601 120.643 1.958 17995
2026 1 5 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.054 0.032 17995
2027 1 5 . 1 1 53 53 LEU C C 31 177.683 177.683 177.560 0.123 17995
2028 1 5 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.775 0.599 17995
2029 1 5 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.961 -0.142 17995
2030 1 5 . 1 1 53 53 LEU H H 31 7.777 7.777 7.946 -0.169 17995
2031 1 5 . 1 1 54 54 GLY N N 32 114.941 114.941 115.333 -0.392 17995
2032 1 5 . 1 1 54 54 GLY C C 32 173.612 173.612 174.293 -0.681 17995
2033 1 5 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.744 -0.186 17995
2034 1 5 . 1 1 54 54 GLY H H 32 9.121 9.121 9.019 0.102 17995
2035 1 5 . 1 1 55 55 ASN N N 33 117.901 117.901 120.617 -2.716 17995
2036 1 5 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.729 0.201 17995
2037 1 5 . 1 1 55 55 ASN C C 33 174.458 174.458 176.425 -1.967 17995
2038 1 5 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.453 -0.634 17995
2039 1 5 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.381 2.166 17995
2040 1 5 . 1 1 55 55 ASN H H 33 7.789 7.789 7.799 -0.010 17995
2041 1 5 . 1 1 56 56 ILE N N 34 120.163 120.163 122.227 -2.064 17995
2042 1 5 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.368 0.169 17995
2043 1 5 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.062 -0.062 17995
2044 1 5 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.348 1.745 17995
2045 1 5 . 1 1 56 56 ILE H H 34 7.703 7.703 8.072 -0.369 17995
2046 1 5 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.396 -0.223 17995
2047 1 5 . 1 1 57 57 PRO C C 35 177.969 177.969 176.702 1.267 17995
2048 1 5 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.338 0.938 17995
2049 1 5 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.933 0.001 17995
2050 1 5 . 1 1 58 58 GLU N N 36 116.701 116.701 116.853 -0.152 17995
2051 1 5 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.347 -0.375 17995
2052 1 5 . 1 1 58 58 GLU C C 36 176.612 176.612 176.108 0.504 17995
2053 1 5 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.785 3.562 17995
2054 1 5 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.376 0.456 17995
2055 1 5 . 1 1 58 58 GLU H H 36 9.581 9.581 8.612 0.969 17995
2056 1 5 . 1 1 59 59 LEU N N 37 121.189 121.189 123.888 -2.699 17995
2057 1 5 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.352 -0.040 17995
2058 1 5 . 1 1 59 59 LEU C C 37 173.353 173.353 175.593 -2.240 17995
2059 1 5 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.539 -1.261 17995
2060 1 5 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.264 0.735 17995
2061 1 5 . 1 1 59 59 LEU H H 37 7.560 7.560 7.231 0.329 17995
2062 1 5 . 1 1 60 60 ASP N N 38 126.468 126.468 124.266 2.202 17995
2063 1 5 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.684 0.031 17995
2064 1 5 . 1 1 60 60 ASP C C 38 175.828 175.828 177.052 -1.224 17995
2065 1 5 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.171 -1.251 17995
2066 1 5 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.983 -2.427 17995
2067 1 5 . 1 1 60 60 ASP H H 38 7.527 7.527 7.712 -0.185 17995
2068 1 5 . 1 1 61 61 SER N N 39 113.128 113.128 117.195 -4.067 17995
2069 1 5 . 1 1 61 61 SER HA H 39 4.019 4.019 4.089 -0.070 17995
2070 1 5 . 1 1 61 61 SER C C 39 175.854 175.854 176.891 -1.037 17995
2071 1 5 . 1 1 61 61 SER CA C 39 61.276 61.276 61.714 -0.438 17995
2072 1 5 . 1 1 61 61 SER CB C 39 65.520 65.520 62.998 2.522 17995
2073 1 5 . 1 1 61 61 SER H H 39 8.623 8.623 8.551 0.072 17995
2074 1 5 . 1 1 62 62 MET N N 40 121.706 121.706 118.409 3.297 17995
2075 1 5 . 1 1 62 62 MET HA H 40 4.303 4.303 4.282 0.021 17995
2076 1 5 . 1 1 62 62 MET C C 40 177.755 177.755 178.079 -0.324 17995
2077 1 5 . 1 1 62 62 MET CA C 40 57.714 57.714 56.238 1.476 17995
2078 1 5 . 1 1 62 62 MET CB C 40 32.386 32.386 31.327 1.059 17995
2079 1 5 . 1 1 62 62 MET H H 40 7.802 7.802 8.170 -0.368 17995
2080 1 5 . 1 1 63 63 ALA N N 41 124.277 124.277 122.219 2.058 17995
2081 1 5 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.083 0.088 17995
2082 1 5 . 1 1 63 63 ALA C C 41 179.893 179.893 179.401 0.492 17995
2083 1 5 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.056 0.045 17995
2084 1 5 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.012 1.644 17995
2085 1 5 . 1 1 63 63 ALA H H 41 8.295 8.295 7.741 0.554 17995
2086 1 5 . 1 1 64 64 VAL N N 42 118.186 118.186 115.250 2.936 17995
2087 1 5 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.430 -0.437 17995
2088 1 5 . 1 1 64 64 VAL C C 42 177.327 177.327 177.519 -0.192 17995
2089 1 5 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.653 1.659 17995
2090 1 5 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.068 0.124 17995
2091 1 5 . 1 1 64 64 VAL H H 42 8.019 8.019 7.563 0.456 17995
2092 1 5 . 1 1 65 65 VAL N N 43 118.361 118.361 121.364 -3.003 17995
2093 1 5 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.464 0.100 17995
2094 1 5 . 1 1 65 65 VAL C C 43 178.520 178.520 178.373 0.147 17995
2095 1 5 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.443 0.114 17995
2096 1 5 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995
2097 1 5 . 1 1 65 65 VAL H H 43 6.942 6.942 7.444 -0.502 17995
2098 1 5 . 1 1 66 66 ASN N N 44 119.476 119.476 118.603 0.873 17995
2099 1 5 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.457 0.105 17995
2100 1 5 . 1 1 66 66 ASN C C 44 178.760 178.760 177.989 0.771 17995
2101 1 5 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.252 -0.416 17995
2102 1 5 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.213 -0.406 17995
2103 1 5 . 1 1 66 66 ASN H H 44 7.789 7.789 7.973 -0.184 17995
2104 1 5 . 1 1 67 67 VAL N N 45 124.029 124.029 116.542 7.487 17995
2105 1 5 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.873 -0.255 17995
2106 1 5 . 1 1 67 67 VAL C C 45 177.100 177.100 177.884 -0.784 17995
2107 1 5 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.906 1.460 17995
2108 1 5 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.593 -0.134 17995
2109 1 5 . 1 1 67 67 VAL H H 45 9.055 9.055 7.686 1.369 17995
2110 1 5 . 1 1 68 68 ILE N N 46 121.006 121.006 122.357 -1.351 17995
2111 1 5 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.626 0.162 17995
2112 1 5 . 1 1 68 68 ILE C C 46 177.871 177.871 177.824 0.047 17995
2113 1 5 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.496 -0.234 17995
2114 1 5 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.630 -1.463 17995
2115 1 5 . 1 1 68 68 ILE H H 46 8.509 8.509 8.125 0.384 17995
2116 1 5 . 1 1 69 69 THR N N 47 116.096 116.096 116.966 -0.870 17995
2117 1 5 . 1 1 69 69 THR HA H 47 4.391 4.391 4.117 0.274 17995
2118 1 5 . 1 1 69 69 THR C C 47 176.365 176.365 176.450 -0.085 17995
2119 1 5 . 1 1 69 69 THR CA C 47 66.256 66.256 66.933 -0.678 17995
2120 1 5 . 1 1 69 69 THR CB C 47 69.098 69.098 68.338 0.759 17995
2121 1 5 . 1 1 69 69 THR H H 47 8.512 8.512 7.847 0.665 17995
2122 1 5 . 1 1 70 70 ALA N N 48 123.948 123.948 123.805 0.143 17995
2123 1 5 . 1 1 70 70 ALA HA H 48 4.303 4.303 3.993 0.310 17995
2124 1 5 . 1 1 70 70 ALA C C 48 181.452 181.452 179.456 1.996 17995
2125 1 5 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.113 0.070 17995
2126 1 5 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.203 1.219 17995
2127 1 5 . 1 1 70 70 ALA H H 48 7.802 7.802 7.776 0.026 17995
2128 1 5 . 1 1 71 71 LEU N N 49 121.199 121.199 119.074 2.125 17995
2129 1 5 . 1 1 71 71 LEU HA H 49 4.223 4.223 3.799 0.424 17995
2130 1 5 . 1 1 71 71 LEU C C 49 178.192 178.192 179.229 -1.037 17995
2131 1 5 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.162 0.399 17995
2132 1 5 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.794 1.657 17995
2133 1 5 . 1 1 71 71 LEU H H 49 8.802 8.802 8.076 0.726 17995
2134 1 5 . 1 1 72 72 GLU N N 50 119.782 119.782 118.435 1.347 17995
2135 1 5 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.174 0.316 17995
2136 1 5 . 1 1 72 72 GLU C C 50 180.303 180.303 179.250 1.053 17995
2137 1 5 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.334 0.517 17995
2138 1 5 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.009 2.099 17995
2139 1 5 . 1 1 72 72 GLU H H 50 8.762 8.762 8.070 0.692 17995
2140 1 5 . 1 1 73 73 GLU N N 51 116.902 116.902 119.686 -2.784 17995
2141 1 5 . 1 1 73 73 GLU HA H 51 4.052 4.052 3.974 0.078 17995
2142 1 5 . 1 1 73 73 GLU C C 51 178.334 178.334 179.080 -0.746 17995
2143 1 5 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.782 -0.164 17995
2144 1 5 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.230 0.852 17995
2145 1 5 . 1 1 73 73 GLU H H 51 7.953 7.953 7.778 0.175 17995
2146 1 5 . 1 1 74 74 TYR N N 52 119.999 119.999 117.814 2.185 17995
2147 1 5 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.394 -0.512 17995
2148 1 5 . 1 1 74 74 TYR C C 52 177.384 177.384 178.512 -1.128 17995
2149 1 5 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.895 0.705 17995
2150 1 5 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.719 0.926 17995
2151 1 5 . 1 1 74 74 TYR H H 52 8.078 8.078 7.759 0.319 17995
2152 1 5 . 1 1 75 75 PHE N N 53 113.650 113.650 115.452 -1.802 17995
2153 1 5 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.535 -0.349 17995
2154 1 5 . 1 1 75 75 PHE C C 53 174.485 174.485 175.676 -1.191 17995
2155 1 5 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.681 0.563 17995
2156 1 5 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.177 0.863 17995
2157 1 5 . 1 1 75 75 PHE H H 53 8.244 8.244 8.252 -0.008 17995
2158 1 5 . 1 1 76 76 ASP N N 54 119.712 119.712 119.443 0.269 17995
2159 1 5 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.448 -0.068 17995
2160 1 5 . 1 1 76 76 ASP C C 54 174.118 174.118 174.693 -0.575 17995
2161 1 5 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.313 -0.450 17995
2162 1 5 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.470 -0.314 17995
2163 1 5 . 1 1 76 76 ASP H H 54 7.596 7.596 8.114 -0.518 17995
2164 1 5 . 1 1 77 77 PHE N N 55 113.804 113.804 117.998 -4.194 17995
2165 1 5 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.869 0.206 17995
2166 1 5 . 1 1 77 77 PHE C C 55 174.384 174.384 172.730 1.654 17995
2167 1 5 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.755 -2.318 17995
2168 1 5 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.151 0.479 17995
2169 1 5 . 1 1 77 77 PHE H H 55 7.725 7.725 8.043 -0.318 17995
2170 1 5 . 1 1 78 78 SER N N 56 114.319 114.319 115.110 -0.791 17995
2171 1 5 . 1 1 78 78 SER HA H 56 5.149 5.149 4.533 0.616 17995
2172 1 5 . 1 1 78 78 SER C C 56 174.100 174.100 172.777 1.323 17995
2173 1 5 . 1 1 78 78 SER CA C 56 56.800 56.800 56.676 0.124 17995
2174 1 5 . 1 1 78 78 SER CB C 56 65.011 65.011 65.323 -0.312 17995
2175 1 5 . 1 1 78 78 SER H H 56 8.727 8.727 8.347 0.380 17995
2176 1 5 . 1 1 79 79 VAL N N 57 128.316 128.316 126.861 1.455 17995
2177 1 5 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.539 -0.295 17995
2178 1 5 . 1 1 79 79 VAL C C 57 175.637 175.637 175.698 -0.061 17995
2179 1 5 . 1 1 79 79 VAL CA C 57 61.754 61.754 61.875 -0.121 17995
2180 1 5 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.302 0.571 17995
2181 1 5 . 1 1 79 79 VAL H H 57 10.222 10.222 8.213 2.009 17995
2182 1 5 . 1 1 80 80 ASP N N 58 130.058 130.058 127.605 2.453 17995
2183 1 5 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.698 0.148 17995
2184 1 5 . 1 1 80 80 ASP C C 58 177.205 177.205 176.787 0.418 17995
2185 1 5 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.469 0.007 17995
2186 1 5 . 1 1 80 80 ASP CB C 58 42.665 42.665 44.216 -1.551 17995
2187 1 5 . 1 1 80 80 ASP H H 58 9.396 9.396 8.617 0.779 17995
2188 1 5 . 1 1 81 81 ASP N N 59 122.564 122.564 122.713 -0.149 17995
2189 1 5 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.370 -0.090 17995
2190 1 5 . 1 1 81 81 ASP C C 59 177.291 177.291 176.731 0.560 17995
2191 1 5 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.698 0.762 17995
2192 1 5 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.167 -0.437 17995
2193 1 5 . 1 1 81 81 ASP H H 59 8.696 8.696 8.664 0.032 17995
2194 1 5 . 1 1 82 82 ASP N N 60 115.817 115.817 117.999 -2.182 17995
2195 1 5 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.475 0.084 17995
2196 1 5 . 1 1 82 82 ASP C C 60 176.939 176.939 177.842 -0.903 17995
2197 1 5 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.343 -1.482 17995
2198 1 5 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.304 -0.889 17995
2199 1 5 . 1 1 82 82 ASP H H 60 8.460 8.460 8.091 0.369 17995
2200 1 5 . 1 1 83 83 GLU N N 61 118.478 118.478 116.616 1.862 17995
2201 1 5 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.464 -0.163 17995
2202 1 5 . 1 1 83 83 GLU C C 61 175.841 175.841 177.050 -1.209 17995
2203 1 5 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.501 0.803 17995
2204 1 5 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.535 0.956 17995
2205 1 5 . 1 1 83 83 GLU H H 61 7.903 7.903 7.688 0.215 17995
2206 1 5 . 1 1 84 84 ILE N N 62 117.759 117.759 121.867 -4.108 17995
2207 1 5 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.699 0.466 17995
2208 1 5 . 1 1 84 84 ILE C C 62 174.069 174.069 175.122 -1.053 17995
2209 1 5 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.599 -3.105 17995
2210 1 5 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.811 1.324 17995
2211 1 5 . 1 1 84 84 ILE H H 62 7.396 7.396 7.461 -0.065 17995
2212 1 5 . 1 1 85 85 SER N N 63 119.980 119.980 120.881 -0.901 17995
2213 1 5 . 1 1 85 85 SER HA H 63 4.789 4.789 4.693 0.096 17995
2214 1 5 . 1 1 85 85 SER CA C 63 56.772 56.772 56.894 -0.122 17995
2215 1 5 . 1 1 85 85 SER CB C 63 66.916 66.916 65.538 1.378 17995
2216 1 5 . 1 1 85 85 SER H H 63 8.384 8.384 8.274 0.110 17995
2217 1 5 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.321 -0.294 17995
2218 1 5 . 1 1 86 86 ALA C C 64 180.211 180.211 179.375 0.836 17995
2219 1 5 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.713 0.788 17995
2220 1 5 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.706 -0.696 17995
2221 1 5 . 1 1 87 87 GLN N N 65 116.123 116.123 114.811 1.312 17995
2222 1 5 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.238 -0.173 17995
2223 1 5 . 1 1 87 87 GLN C C 65 178.564 178.564 177.279 1.285 17995
2224 1 5 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.266 1.473 17995
2225 1 5 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.017 0.426 17995
2226 1 5 . 1 1 87 87 GLN H H 65 7.990 7.990 7.846 0.144 17995
2227 1 5 . 1 1 88 88 THR N N 66 119.153 119.153 115.290 3.863 17995
2228 1 5 . 1 1 88 88 THR HA H 66 3.631 3.631 4.280 -0.649 17995
2229 1 5 . 1 1 88 88 THR C C 66 174.748 174.748 174.626 0.122 17995
2230 1 5 . 1 1 88 88 THR CA C 66 66.591 66.591 65.674 0.917 17995
2231 1 5 . 1 1 88 88 THR CB C 66 68.702 68.702 68.886 -0.184 17995
2232 1 5 . 1 1 88 88 THR H H 66 7.738 7.738 7.460 0.278 17995
2233 1 5 . 1 1 89 89 PHE N N 67 115.088 115.088 116.244 -1.156 17995
2234 1 5 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.677 -0.440 17995
2235 1 5 . 1 1 89 89 PHE C C 67 173.600 173.600 176.744 -3.144 17995
2236 1 5 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.764 -0.242 17995
2237 1 5 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.226 0.480 17995
2238 1 5 . 1 1 89 89 PHE H H 67 7.180 7.180 7.739 -0.559 17995
2239 1 5 . 1 1 90 90 GLU N N 68 122.222 122.222 118.912 3.310 17995
2240 1 5 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.096 0.071 17995
2241 1 5 . 1 1 90 90 GLU C C 68 178.581 178.581 177.109 1.472 17995
2242 1 5 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.209 1.517 17995
2243 1 5 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.869 0.879 17995
2244 1 5 . 1 1 90 90 GLU H H 68 7.421 7.421 8.311 -0.890 17995
2245 1 5 . 1 1 91 91 THR N N 69 106.383 106.383 108.648 -2.265 17995
2246 1 5 . 1 1 91 91 THR HA H 69 5.477 5.477 4.881 0.596 17995
2247 1 5 . 1 1 91 91 THR C C 69 174.775 174.775 174.494 0.281 17995
2248 1 5 . 1 1 91 91 THR CA C 69 58.798 58.798 59.404 -0.606 17995
2249 1 5 . 1 1 91 91 THR CB C 69 74.841 74.841 72.927 1.914 17995
2250 1 5 . 1 1 91 91 THR H H 69 8.534 8.534 7.458 1.076 17995
2251 1 5 . 1 1 92 92 LEU N N 70 120.326 120.326 122.760 -2.434 17995
2252 1 5 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.106 0.037 17995
2253 1 5 . 1 1 92 92 LEU C C 70 178.174 178.174 178.281 -0.107 17995
2254 1 5 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.778 0.488 17995
2255 1 5 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.018 -1.148 17995
2256 1 5 . 1 1 92 92 LEU H H 70 7.991 7.991 8.389 -0.398 17995
2257 1 5 . 1 1 93 93 GLY N N 71 106.588 106.588 105.136 1.452 17995
2258 1 5 . 1 1 93 93 GLY C C 71 175.300 175.300 175.999 -0.699 17995
2259 1 5 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.440 -0.103 17995
2260 1 5 . 1 1 93 93 GLY H H 71 9.019 9.019 8.478 0.541 17995
2261 1 5 . 1 1 94 94 SER N N 72 120.200 120.200 118.617 1.583 17995
2262 1 5 . 1 1 94 94 SER HA H 72 4.090 4.090 4.252 -0.162 17995
2263 1 5 . 1 1 94 94 SER C C 72 177.631 177.631 176.786 0.845 17995
2264 1 5 . 1 1 94 94 SER CA C 72 62.329 62.329 62.111 0.218 17995
2265 1 5 . 1 1 94 94 SER H H 72 8.709 8.709 7.385 1.324 17995
2266 1 5 . 1 1 95 95 LEU N N 73 129.169 129.169 121.464 7.705 17995
2267 1 5 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.021 0.219 17995
2268 1 5 . 1 1 95 95 LEU C C 73 176.439 176.439 178.971 -2.532 17995
2269 1 5 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.420 0.382 17995
2270 1 5 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.282 1.577 17995
2271 1 5 . 1 1 95 95 LEU H H 73 7.800 7.800 7.484 0.316 17995
2272 1 5 . 1 1 96 96 ALA N N 74 121.721 121.721 122.397 -0.676 17995
2273 1 5 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.014 -0.025 17995
2274 1 5 . 1 1 96 96 ALA C C 74 180.456 180.456 179.874 0.582 17995
2275 1 5 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.255 0.447 17995
2276 1 5 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.402 -0.686 17995
2277 1 5 . 1 1 96 96 ALA H H 74 8.612 8.612 8.043 0.569 17995
2278 1 5 . 1 1 97 97 LEU N N 75 122.095 122.095 118.759 3.336 17995
2279 1 5 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.882 0.175 17995
2280 1 5 . 1 1 97 97 LEU C C 75 178.805 178.805 178.917 -0.112 17995
2281 1 5 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.670 1.099 17995
2282 1 5 . 1 1 97 97 LEU CB C 75 41.822 41.822 39.850 1.972 17995
2283 1 5 . 1 1 97 97 LEU H H 75 8.777 8.777 7.980 0.797 17995
2284 1 5 . 1 1 98 98 PHE N N 76 122.741 122.741 118.939 3.802 17995
2285 1 5 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.031 0.231 17995
2286 1 5 . 1 1 98 98 PHE C C 76 176.878 176.878 178.527 -1.649 17995
2287 1 5 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.319 -1.087 17995
2288 1 5 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.563 -0.014 17995
2289 1 5 . 1 1 98 98 PHE H H 76 7.889 7.889 7.852 0.037 17995
2290 1 5 . 1 1 99 99 VAL N N 77 119.641 119.641 115.297 4.344 17995
2291 1 5 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.437 -0.659 17995
2292 1 5 . 1 1 99 99 VAL C C 77 176.414 176.414 177.736 -1.322 17995
2293 1 5 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.028 0.940 17995
2294 1 5 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.334 -0.148 17995
2295 1 5 . 1 1 99 99 VAL H H 77 7.599 7.599 8.184 -0.585 17995
2296 1 5 . 1 1 100 100 GLU N N 78 118.850 118.850 122.107 -3.257 17995
2297 1 5 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.204 -0.431 17995
2298 1 5 . 1 1 100 100 GLU C C 78 179.007 179.007 179.418 -0.411 17995
2299 1 5 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.358 0.182 17995
2300 1 5 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.048 0.730 17995
2301 1 5 . 1 1 100 100 GLU H H 78 7.740 7.740 8.005 -0.265 17995
2302 1 5 . 1 1 101 101 HIS N N 79 120.328 120.328 118.244 2.084 17995
2303 1 5 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.290 -0.089 17995
2304 1 5 . 1 1 101 101 HIS C C 79 178.242 178.242 178.028 0.214 17995
2305 1 5 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.307 0.931 17995
2306 1 5 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.775 0.163 17995
2307 1 5 . 1 1 101 101 HIS H H 79 8.354 8.354 7.703 0.651 17995
2308 1 5 . 1 1 102 102 LYS N N 80 121.044 121.044 119.524 1.520 17995
2309 1 5 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.247 -0.680 17995
2310 1 5 . 1 1 102 102 LYS C C 80 179.199 179.199 179.017 0.182 17995
2311 1 5 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.559 -1.572 17995
2312 1 5 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.872 -1.696 17995
2313 1 5 . 1 1 102 102 LYS H H 80 7.908 7.908 7.814 0.094 17995
2314 1 5 . 1 1 103 103 LEU N N 81 118.698 118.698 117.879 0.819 17995
2315 1 5 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.339 -0.181 17995
2316 1 5 . 1 1 103 103 LEU C C 81 178.593 178.593 178.590 0.003 17995
2317 1 5 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.795 0.601 17995
2318 1 5 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.791 1.518 17995
2319 1 5 . 1 1 103 103 LEU H H 81 7.784 7.784 7.746 0.038 17995
2320 1 5 . 1 1 104 104 SER N N 82 114.826 114.826 112.657 2.169 17995
2321 1 5 . 1 1 104 104 SER HA H 82 4.358 4.358 4.511 -0.153 17995
2322 1 5 . 1 1 104 104 SER C C 82 174.810 174.810 174.544 0.266 17995
2323 1 5 . 1 1 104 104 SER CA C 82 59.567 59.567 58.737 0.830 17995
2324 1 5 . 1 1 104 104 SER CB C 82 63.859 63.859 63.937 -0.078 17995
2325 1 5 . 1 1 104 104 SER H H 82 7.738 7.738 8.124 -0.386 17995
2326 1 6 . 1 1 24 24 GLN N N 2 121.730 121.730 122.274 -0.544 17995
2327 1 6 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.451 -0.489 17995
2328 1 6 . 1 1 24 24 GLN C C 2 177.291 177.291 177.475 -0.184 17995
2329 1 6 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.269 1.122 17995
2330 1 6 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.340 -0.631 17995
2331 1 6 . 1 1 24 24 GLN H H 2 8.511 8.511 9.095 -0.584 17995
2332 1 6 . 1 1 25 25 HIS N N 3 116.878 116.878 120.867 -3.989 17995
2333 1 6 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.707 0.396 17995
2334 1 6 . 1 1 25 25 HIS C C 3 175.501 175.501 177.499 -1.998 17995
2335 1 6 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.186 -1.839 17995
2336 1 6 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.795 0.832 17995
2337 1 6 . 1 1 25 25 HIS H H 3 8.216 8.216 8.406 -0.190 17995
2338 1 6 . 1 1 26 26 LEU N N 4 121.540 121.540 119.034 2.506 17995
2339 1 6 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995
2340 1 6 . 1 1 26 26 LEU C C 4 177.649 177.649 178.300 -0.651 17995
2341 1 6 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.233 1.470 17995
2342 1 6 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.138 1.198 17995
2343 1 6 . 1 1 26 26 LEU H H 4 7.447 7.447 8.202 -0.755 17995
2344 1 6 . 1 1 27 27 GLU N N 5 118.441 118.441 119.832 -1.391 17995
2345 1 6 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.987 -0.096 17995
2346 1 6 . 1 1 27 27 GLU C C 5 178.162 178.162 178.442 -0.280 17995
2347 1 6 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.157 0.466 17995
2348 1 6 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.594 -0.517 17995
2349 1 6 . 1 1 27 27 GLU H H 5 8.561 8.561 7.880 0.681 17995
2350 1 6 . 1 1 28 28 ALA N N 6 122.005 122.005 122.492 -0.487 17995
2351 1 6 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.211 -0.079 17995
2352 1 6 . 1 1 28 28 ALA C C 6 180.421 180.421 180.018 0.403 17995
2353 1 6 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.894 0.385 17995
2354 1 6 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.203 0.563 17995
2355 1 6 . 1 1 28 28 ALA H H 6 8.205 8.205 7.707 0.498 17995
2356 1 6 . 1 1 29 29 VAL N N 7 116.985 116.985 119.838 -2.853 17995
2357 1 6 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.728 -0.219 17995
2358 1 6 . 1 1 29 29 VAL C C 7 177.034 177.034 177.753 -0.719 17995
2359 1 6 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.748 0.615 17995
2360 1 6 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.145 0.293 17995
2361 1 6 . 1 1 29 29 VAL H H 7 8.392 8.392 8.020 0.372 17995
2362 1 6 . 1 1 30 30 ARG N N 8 121.674 121.674 119.208 2.466 17995
2363 1 6 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.006 -0.342 17995
2364 1 6 . 1 1 30 30 ARG C C 8 177.810 177.810 178.437 -0.627 17995
2365 1 6 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.373 1.152 17995
2366 1 6 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.393 1.273 17995
2367 1 6 . 1 1 30 30 ARG H H 8 8.784 8.784 8.323 0.461 17995
2368 1 6 . 1 1 31 31 ASN N N 9 118.102 118.102 118.651 -0.549 17995
2369 1 6 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.526 -0.242 17995
2370 1 6 . 1 1 31 31 ASN C C 9 177.890 177.890 177.228 0.662 17995
2371 1 6 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.087 0.167 17995
2372 1 6 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.248 -0.659 17995
2373 1 6 . 1 1 31 31 ASN H H 9 8.144 8.144 7.878 0.266 17995
2374 1 6 . 1 1 32 32 ILE N N 10 123.614 123.614 120.381 3.233 17995
2375 1 6 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.474 0.318 17995
2376 1 6 . 1 1 32 32 ILE C C 10 177.810 177.810 177.861 -0.051 17995
2377 1 6 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.292 -0.034 17995
2378 1 6 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.862 0.872 17995
2379 1 6 . 1 1 32 32 ILE H H 10 8.137 8.137 7.707 0.430 17995
2380 1 6 . 1 1 33 33 LEU N N 11 119.797 119.797 119.485 0.312 17995
2381 1 6 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.105 -0.319 17995
2382 1 6 . 1 1 33 33 LEU C C 11 179.039 179.039 179.441 -0.402 17995
2383 1 6 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.458 0.252 17995
2384 1 6 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.176 0.900 17995
2385 1 6 . 1 1 33 33 LEU H H 11 8.637 8.637 8.531 0.106 17995
2386 1 6 . 1 1 34 34 GLY N N 12 103.682 103.682 105.822 -2.140 17995
2387 1 6 . 1 1 34 34 GLY C C 12 175.242 175.242 175.433 -0.191 17995
2388 1 6 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.776 0.942 17995
2389 1 6 . 1 1 34 34 GLY H H 12 8.513 8.513 8.284 0.229 17995
2390 1 6 . 1 1 35 35 ASP N N 13 122.235 122.235 122.155 0.080 17995
2391 1 6 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.510 0.075 17995
2392 1 6 . 1 1 35 35 ASP C C 13 179.013 179.013 178.589 0.424 17995
2393 1 6 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.703 0.214 17995
2394 1 6 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.177 -0.131 17995
2395 1 6 . 1 1 35 35 ASP H H 13 7.968 7.968 7.733 0.235 17995
2396 1 6 . 1 1 36 36 VAL N N 14 120.841 120.841 120.183 0.658 17995
2397 1 6 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.761 -0.084 17995
2398 1 6 . 1 1 36 36 VAL C C 14 177.797 177.797 177.813 -0.016 17995
2399 1 6 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.720 0.284 17995
2400 1 6 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.175 0.057 17995
2401 1 6 . 1 1 36 36 VAL H H 14 8.765 8.765 8.126 0.639 17995
2402 1 6 . 1 1 37 37 LEU N N 15 114.630 114.630 116.242 -1.612 17995
2403 1 6 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.229 0.052 17995
2404 1 6 . 1 1 37 37 LEU C C 15 175.483 175.483 176.379 -0.896 17995
2405 1 6 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.945 -0.775 17995
2406 1 6 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.995 -1.301 17995
2407 1 6 . 1 1 37 37 LEU H H 15 7.942 7.942 7.798 0.144 17995
2408 1 6 . 1 1 38 38 ASN N N 16 116.887 116.887 115.571 1.316 17995
2409 1 6 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.473 0.061 17995
2410 1 6 . 1 1 38 38 ASN C C 16 175.668 175.668 175.209 0.459 17995
2411 1 6 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.743 0.177 17995
2412 1 6 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.593 -0.735 17995
2413 1 6 . 1 1 38 38 ASN H H 16 7.561 7.561 8.053 -0.492 17995
2414 1 6 . 1 1 39 39 LEU N N 17 114.676 114.676 118.874 -4.198 17995
2415 1 6 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.215 -0.145 17995
2416 1 6 . 1 1 39 39 LEU C C 17 178.415 178.415 178.108 0.307 17995
2417 1 6 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.179 -0.435 17995
2418 1 6 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.340 0.936 17995
2419 1 6 . 1 1 39 39 LEU H H 17 8.233 8.233 8.123 0.110 17995
2420 1 6 . 1 1 40 40 GLY N N 18 109.665 109.665 107.609 2.056 17995
2421 1 6 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.648 -0.343 17995
2422 1 6 . 1 1 40 40 GLY H H 18 8.678 8.678 7.840 0.838 17995
2423 1 6 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.359 -0.231 17995
2424 1 6 . 1 1 41 41 GLU C C 19 178.328 178.328 177.644 0.684 17995
2425 1 6 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.528 1.736 17995
2426 1 6 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.232 -1.152 17995
2427 1 6 . 1 1 42 42 ARG N N 20 118.936 118.936 120.723 -1.787 17995
2428 1 6 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.079 0.096 17995
2429 1 6 . 1 1 42 42 ARG C C 20 178.912 178.912 176.819 2.093 17995
2430 1 6 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.772 -0.535 17995
2431 1 6 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.266 -0.210 17995
2432 1 6 . 1 1 42 42 ARG H H 20 7.979 7.979 7.739 0.240 17995
2433 1 6 . 1 1 43 43 LYS N N 21 119.087 119.087 114.541 4.546 17995
2434 1 6 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.193 -0.445 17995
2435 1 6 . 1 1 43 43 LYS C C 21 176.559 176.559 178.301 -1.742 17995
2436 1 6 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.542 0.556 17995
2437 1 6 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.713 0.268 17995
2438 1 6 . 1 1 43 43 LYS H H 21 7.719 7.719 8.133 -0.414 17995
2439 1 6 . 1 1 44 44 HIS N N 22 115.571 115.571 118.823 -3.252 17995
2440 1 6 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.502 -0.074 17995
2441 1 6 . 1 1 44 44 HIS C C 22 176.288 176.288 176.450 -0.162 17995
2442 1 6 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.509 -0.725 17995
2443 1 6 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.140 0.330 17995
2444 1 6 . 1 1 44 44 HIS H H 22 7.124 7.124 7.610 -0.486 17995
2445 1 6 . 1 1 45 45 THR N N 23 107.890 107.890 113.426 -5.536 17995
2446 1 6 . 1 1 45 45 THR HA H 23 4.355 4.355 4.326 0.029 17995
2447 1 6 . 1 1 45 45 THR C C 23 174.650 174.650 174.319 0.331 17995
2448 1 6 . 1 1 45 45 THR CA C 23 61.627 61.627 62.138 -0.511 17995
2449 1 6 . 1 1 45 45 THR CB C 23 69.475 69.475 68.863 0.612 17995
2450 1 6 . 1 1 45 45 THR H H 23 7.441 7.441 7.829 -0.388 17995
2451 1 6 . 1 1 46 46 LEU N N 24 121.435 121.435 118.521 2.914 17995
2452 1 6 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.901 -0.278 17995
2453 1 6 . 1 1 46 46 LEU C C 24 176.537 176.537 175.319 1.218 17995
2454 1 6 . 1 1 46 46 LEU CA C 24 54.590 54.590 52.807 1.783 17995
2455 1 6 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.715 -0.598 17995
2456 1 6 . 1 1 46 46 LEU H H 24 7.059 7.059 7.183 -0.124 17995
2457 1 6 . 1 1 47 47 THR N N 25 116.104 116.104 110.722 5.382 17995
2458 1 6 . 1 1 47 47 THR HA H 25 4.605 4.605 4.693 -0.088 17995
2459 1 6 . 1 1 47 47 THR C C 25 175.526 175.526 175.231 0.295 17995
2460 1 6 . 1 1 47 47 THR CA C 25 59.878 59.878 59.304 0.574 17995
2461 1 6 . 1 1 47 47 THR CB C 25 71.752 71.752 71.497 0.255 17995
2462 1 6 . 1 1 47 47 THR H H 25 9.432 9.432 7.913 1.519 17995
2463 1 6 . 1 1 48 48 ALA N N 26 122.234 122.234 120.841 1.393 17995
2464 1 6 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.162 -0.353 17995
2465 1 6 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.719 0.874 17995
2466 1 6 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.613 0.041 17995
2467 1 6 . 1 1 48 48 ALA H H 26 9.142 9.142 8.606 0.536 17995
2468 1 6 . 1 1 49 49 SER HA H 27 4.448 4.448 4.456 -0.008 17995
2469 1 6 . 1 1 49 49 SER C C 27 174.637 174.637 174.852 -0.215 17995
2470 1 6 . 1 1 49 49 SER CA C 27 58.348 58.348 58.668 -0.320 17995
2471 1 6 . 1 1 49 49 SER CB C 27 63.704 63.704 63.289 0.415 17995
2472 1 6 . 1 1 50 50 SER N N 28 122.032 122.032 119.183 2.849 17995
2473 1 6 . 1 1 50 50 SER HA H 28 4.269 4.269 4.435 -0.166 17995
2474 1 6 . 1 1 50 50 SER C C 28 172.904 172.904 173.685 -0.781 17995
2475 1 6 . 1 1 50 50 SER CA C 28 60.846 60.846 58.377 2.469 17995
2476 1 6 . 1 1 50 50 SER CB C 28 63.063 63.063 63.857 -0.794 17995
2477 1 6 . 1 1 50 50 SER H H 28 8.157 8.157 7.659 0.498 17995
2478 1 6 . 1 1 51 51 VAL N N 29 127.079 127.079 126.246 0.833 17995
2479 1 6 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.172 0.170 17995
2480 1 6 . 1 1 51 51 VAL C C 29 176.612 176.612 175.898 0.714 17995
2481 1 6 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.007 -0.559 17995
2482 1 6 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.334 -0.109 17995
2483 1 6 . 1 1 51 51 VAL H H 29 8.505 8.505 8.737 -0.232 17995
2484 1 6 . 1 1 52 52 LEU N N 30 126.014 126.014 126.131 -0.117 17995
2485 1 6 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.694 0.101 17995
2486 1 6 . 1 1 52 52 LEU C C 30 176.569 176.569 176.754 -0.185 17995
2487 1 6 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.757 -1.224 17995
2488 1 6 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.989 -1.985 17995
2489 1 6 . 1 1 52 52 LEU H H 30 7.954 7.954 8.238 -0.284 17995
2490 1 6 . 1 1 53 53 LEU N N 31 122.601 122.601 120.353 2.248 17995
2491 1 6 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.006 0.080 17995
2492 1 6 . 1 1 53 53 LEU C C 31 177.683 177.683 177.554 0.129 17995
2493 1 6 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.768 0.606 17995
2494 1 6 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.151 -0.332 17995
2495 1 6 . 1 1 53 53 LEU H H 31 7.777 7.777 7.986 -0.209 17995
2496 1 6 . 1 1 54 54 GLY N N 32 114.941 114.941 114.471 0.470 17995
2497 1 6 . 1 1 54 54 GLY C C 32 173.612 173.612 173.954 -0.342 17995
2498 1 6 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.685 -0.127 17995
2499 1 6 . 1 1 54 54 GLY H H 32 9.121 9.121 9.117 0.004 17995
2500 1 6 . 1 1 55 55 ASN N N 33 117.901 117.901 119.996 -2.095 17995
2501 1 6 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.809 0.121 17995
2502 1 6 . 1 1 55 55 ASN C C 33 174.458 174.458 176.278 -1.820 17995
2503 1 6 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.033 -0.214 17995
2504 1 6 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.950 1.597 17995
2505 1 6 . 1 1 55 55 ASN H H 33 7.789 7.789 7.772 0.017 17995
2506 1 6 . 1 1 56 56 ILE N N 34 120.163 120.163 122.867 -2.704 17995
2507 1 6 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.402 0.135 17995
2508 1 6 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.982 0.019 17995
2509 1 6 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.423 1.670 17995
2510 1 6 . 1 1 56 56 ILE H H 34 7.703 7.703 8.136 -0.432 17995
2511 1 6 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.409 -0.236 17995
2512 1 6 . 1 1 57 57 PRO C C 35 177.969 177.969 176.680 1.289 17995
2513 1 6 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.331 0.945 17995
2514 1 6 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.994 -0.060 17995
2515 1 6 . 1 1 58 58 GLU N N 36 116.701 116.701 116.615 0.086 17995
2516 1 6 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.380 -0.408 17995
2517 1 6 . 1 1 58 58 GLU C C 36 176.612 176.612 175.754 0.858 17995
2518 1 6 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.596 3.751 17995
2519 1 6 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.476 0.356 17995
2520 1 6 . 1 1 58 58 GLU H H 36 9.581 9.581 8.669 0.912 17995
2521 1 6 . 1 1 59 59 LEU N N 37 121.189 121.189 123.691 -2.502 17995
2522 1 6 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.233 0.079 17995
2523 1 6 . 1 1 59 59 LEU C C 37 173.353 173.353 175.222 -1.869 17995
2524 1 6 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.396 -1.118 17995
2525 1 6 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.352 -0.353 17995
2526 1 6 . 1 1 59 59 LEU H H 37 7.560 7.560 7.292 0.268 17995
2527 1 6 . 1 1 60 60 ASP N N 38 126.468 126.468 124.610 1.858 17995
2528 1 6 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.749 -0.034 17995
2529 1 6 . 1 1 60 60 ASP C C 38 175.828 175.828 176.868 -1.040 17995
2530 1 6 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.695 -0.775 17995
2531 1 6 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.948 -2.392 17995
2532 1 6 . 1 1 60 60 ASP H H 38 7.527 7.527 7.686 -0.159 17995
2533 1 6 . 1 1 61 61 SER N N 39 113.128 113.128 116.958 -3.830 17995
2534 1 6 . 1 1 61 61 SER HA H 39 4.019 4.019 4.110 -0.091 17995
2535 1 6 . 1 1 61 61 SER C C 39 175.854 175.854 176.837 -0.983 17995
2536 1 6 . 1 1 61 61 SER CA C 39 61.276 61.276 61.744 -0.468 17995
2537 1 6 . 1 1 61 61 SER CB C 39 65.520 65.520 63.025 2.495 17995
2538 1 6 . 1 1 61 61 SER H H 39 8.623 8.623 8.573 0.050 17995
2539 1 6 . 1 1 62 62 MET N N 40 121.706 121.706 117.819 3.887 17995
2540 1 6 . 1 1 62 62 MET HA H 40 4.303 4.303 4.344 -0.041 17995
2541 1 6 . 1 1 62 62 MET C C 40 177.755 177.755 177.969 -0.214 17995
2542 1 6 . 1 1 62 62 MET CA C 40 57.714 57.714 56.059 1.655 17995
2543 1 6 . 1 1 62 62 MET CB C 40 32.386 32.386 31.533 0.853 17995
2544 1 6 . 1 1 62 62 MET H H 40 7.802 7.802 7.916 -0.114 17995
2545 1 6 . 1 1 63 63 ALA N N 41 124.277 124.277 122.510 1.767 17995
2546 1 6 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.136 0.035 17995
2547 1 6 . 1 1 63 63 ALA C C 41 179.893 179.893 179.433 0.460 17995
2548 1 6 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.810 0.291 17995
2549 1 6 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.053 1.603 17995
2550 1 6 . 1 1 63 63 ALA H H 41 8.295 8.295 7.946 0.349 17995
2551 1 6 . 1 1 64 64 VAL N N 42 118.186 118.186 115.995 2.191 17995
2552 1 6 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.474 -0.481 17995
2553 1 6 . 1 1 64 64 VAL C C 42 177.327 177.327 177.490 -0.163 17995
2554 1 6 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.785 1.527 17995
2555 1 6 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.271 -0.079 17995
2556 1 6 . 1 1 64 64 VAL H H 42 8.019 8.019 7.610 0.409 17995
2557 1 6 . 1 1 65 65 VAL N N 43 118.361 118.361 121.133 -2.772 17995
2558 1 6 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.510 0.054 17995
2559 1 6 . 1 1 65 65 VAL C C 43 178.520 178.520 177.954 0.566 17995
2560 1 6 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.528 0.030 17995
2561 1 6 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.169 0.331 17995
2562 1 6 . 1 1 65 65 VAL H H 43 6.942 6.942 7.577 -0.635 17995
2563 1 6 . 1 1 66 66 ASN N N 44 119.476 119.476 117.850 1.626 17995
2564 1 6 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.532 0.030 17995
2565 1 6 . 1 1 66 66 ASN C C 44 178.760 178.760 177.894 0.866 17995
2566 1 6 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.036 -0.200 17995
2567 1 6 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.493 -0.686 17995
2568 1 6 . 1 1 66 66 ASN H H 44 7.789 7.789 7.883 -0.094 17995
2569 1 6 . 1 1 67 67 VAL N N 45 124.029 124.029 116.765 7.264 17995
2570 1 6 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.792 -0.174 17995
2571 1 6 . 1 1 67 67 VAL C C 45 177.100 177.100 177.771 -0.671 17995
2572 1 6 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.155 1.211 17995
2573 1 6 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.771 -0.311 17995
2574 1 6 . 1 1 67 67 VAL H H 45 9.055 9.055 7.713 1.342 17995
2575 1 6 . 1 1 68 68 ILE N N 46 121.006 121.006 121.476 -0.470 17995
2576 1 6 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.762 0.026 17995
2577 1 6 . 1 1 68 68 ILE C C 46 177.871 177.871 178.317 -0.446 17995
2578 1 6 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.573 -0.311 17995
2579 1 6 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.565 -1.398 17995
2580 1 6 . 1 1 68 68 ILE H H 46 8.509 8.509 7.865 0.644 17995
2581 1 6 . 1 1 69 69 THR N N 47 116.096 116.096 116.390 -0.294 17995
2582 1 6 . 1 1 69 69 THR HA H 47 4.391 4.391 3.982 0.409 17995
2583 1 6 . 1 1 69 69 THR C C 47 176.365 176.365 176.224 0.141 17995
2584 1 6 . 1 1 69 69 THR CA C 47 66.256 66.256 67.123 -0.867 17995
2585 1 6 . 1 1 69 69 THR CB C 47 69.098 69.098 68.717 0.381 17995
2586 1 6 . 1 1 69 69 THR H H 47 8.512 8.512 8.003 0.509 17995
2587 1 6 . 1 1 70 70 ALA N N 48 123.948 123.948 124.621 -0.673 17995
2588 1 6 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.265 0.038 17995
2589 1 6 . 1 1 70 70 ALA C C 48 181.452 181.452 179.670 1.782 17995
2590 1 6 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.248 -0.065 17995
2591 1 6 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.210 1.212 17995
2592 1 6 . 1 1 70 70 ALA H H 48 7.802 7.802 7.752 0.050 17995
2593 1 6 . 1 1 71 71 LEU N N 49 121.199 121.199 119.123 2.076 17995
2594 1 6 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.141 0.082 17995
2595 1 6 . 1 1 71 71 LEU C C 49 178.192 178.192 179.442 -1.250 17995
2596 1 6 . 1 1 71 71 LEU CA C 49 58.561 58.561 57.915 0.646 17995
2597 1 6 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.869 1.582 17995
2598 1 6 . 1 1 71 71 LEU H H 49 8.802 8.802 8.449 0.353 17995
2599 1 6 . 1 1 72 72 GLU N N 50 119.782 119.782 119.264 0.518 17995
2600 1 6 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.991 -0.501 17995
2601 1 6 . 1 1 72 72 GLU C C 50 180.303 180.303 179.685 0.618 17995
2602 1 6 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.142 0.709 17995
2603 1 6 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.040 2.068 17995
2604 1 6 . 1 1 72 72 GLU H H 50 8.762 8.762 8.082 0.680 17995
2605 1 6 . 1 1 73 73 GLU N N 51 116.902 116.902 118.887 -1.985 17995
2606 1 6 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995
2607 1 6 . 1 1 73 73 GLU C C 51 178.334 178.334 178.730 -0.396 17995
2608 1 6 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.876 -0.258 17995
2609 1 6 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.270 0.812 17995
2610 1 6 . 1 1 73 73 GLU H H 51 7.953 7.953 7.814 0.139 17995
2611 1 6 . 1 1 74 74 TYR N N 52 119.999 119.999 116.967 3.032 17995
2612 1 6 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.262 -0.380 17995
2613 1 6 . 1 1 74 74 TYR C C 52 177.384 177.384 177.634 -0.250 17995
2614 1 6 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.871 0.729 17995
2615 1 6 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.706 0.939 17995
2616 1 6 . 1 1 74 74 TYR H H 52 8.078 8.078 8.090 -0.012 17995
2617 1 6 . 1 1 75 75 PHE N N 53 113.650 113.650 115.260 -1.610 17995
2618 1 6 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.301 -0.115 17995
2619 1 6 . 1 1 75 75 PHE C C 53 174.485 174.485 175.003 -0.518 17995
2620 1 6 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.187 0.057 17995
2621 1 6 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.955 1.085 17995
2622 1 6 . 1 1 75 75 PHE H H 53 8.244 8.244 7.681 0.563 17995
2623 1 6 . 1 1 76 76 ASP N N 54 119.712 119.712 117.031 2.681 17995
2624 1 6 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.437 -0.057 17995
2625 1 6 . 1 1 76 76 ASP C C 54 174.118 174.118 175.214 -1.096 17995
2626 1 6 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.424 -0.561 17995
2627 1 6 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.216 -0.060 17995
2628 1 6 . 1 1 76 76 ASP H H 54 7.596 7.596 7.741 -0.145 17995
2629 1 6 . 1 1 77 77 PHE N N 55 113.804 113.804 113.845 -0.041 17995
2630 1 6 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.987 0.088 17995
2631 1 6 . 1 1 77 77 PHE C C 55 174.384 174.384 173.924 0.460 17995
2632 1 6 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.464 -1.028 17995
2633 1 6 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.540 0.090 17995
2634 1 6 . 1 1 77 77 PHE H H 55 7.725 7.725 7.084 0.641 17995
2635 1 6 . 1 1 78 78 SER N N 56 114.319 114.319 116.353 -2.034 17995
2636 1 6 . 1 1 78 78 SER HA H 56 5.149 5.149 5.377 -0.228 17995
2637 1 6 . 1 1 78 78 SER C C 56 174.100 174.100 173.870 0.230 17995
2638 1 6 . 1 1 78 78 SER CA C 56 56.800 56.800 57.418 -0.618 17995
2639 1 6 . 1 1 78 78 SER CB C 56 65.011 65.011 64.003 1.008 17995
2640 1 6 . 1 1 78 78 SER H H 56 8.727 8.727 8.487 0.240 17995
2641 1 6 . 1 1 79 79 VAL N N 57 128.316 128.316 128.113 0.203 17995
2642 1 6 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.796 0.448 17995
2643 1 6 . 1 1 79 79 VAL C C 57 175.637 175.637 175.454 0.183 17995
2644 1 6 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.239 -1.485 17995
2645 1 6 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.621 1.252 17995
2646 1 6 . 1 1 79 79 VAL H H 57 10.222 10.222 8.580 1.642 17995
2647 1 6 . 1 1 80 80 ASP N N 58 130.058 130.058 128.114 1.944 17995
2648 1 6 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.633 0.213 17995
2649 1 6 . 1 1 80 80 ASP C C 58 177.205 177.205 176.605 0.600 17995
2650 1 6 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.712 -0.235 17995
2651 1 6 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.629 -0.964 17995
2652 1 6 . 1 1 80 80 ASP H H 58 9.396 9.396 7.828 1.568 17995
2653 1 6 . 1 1 81 81 ASP N N 59 122.564 122.564 121.636 0.928 17995
2654 1 6 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.382 -0.102 17995
2655 1 6 . 1 1 81 81 ASP C C 59 177.291 177.291 176.551 0.740 17995
2656 1 6 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.501 0.959 17995
2657 1 6 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.203 -0.473 17995
2658 1 6 . 1 1 81 81 ASP H H 59 8.696 8.696 8.737 -0.041 17995
2659 1 6 . 1 1 82 82 ASP N N 60 115.817 115.817 117.915 -2.098 17995
2660 1 6 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.473 0.086 17995
2661 1 6 . 1 1 82 82 ASP C C 60 176.939 176.939 177.640 -0.701 17995
2662 1 6 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.098 -1.237 17995
2663 1 6 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.356 -0.941 17995
2664 1 6 . 1 1 82 82 ASP H H 60 8.460 8.460 7.852 0.608 17995
2665 1 6 . 1 1 83 83 GLU N N 61 118.478 118.478 117.252 1.226 17995
2666 1 6 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.363 -0.062 17995
2667 1 6 . 1 1 83 83 GLU C C 61 175.841 175.841 176.932 -1.091 17995
2668 1 6 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.819 0.485 17995
2669 1 6 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.191 1.300 17995
2670 1 6 . 1 1 83 83 GLU H H 61 7.903 7.903 7.682 0.221 17995
2671 1 6 . 1 1 84 84 ILE N N 62 117.759 117.759 122.107 -4.348 17995
2672 1 6 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.727 0.438 17995
2673 1 6 . 1 1 84 84 ILE C C 62 174.069 174.069 174.966 -0.897 17995
2674 1 6 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.494 -3.000 17995
2675 1 6 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.623 1.512 17995
2676 1 6 . 1 1 84 84 ILE H H 62 7.396 7.396 7.172 0.224 17995
2677 1 6 . 1 1 85 85 SER N N 63 119.980 119.980 122.374 -2.394 17995
2678 1 6 . 1 1 85 85 SER HA H 63 4.789 4.789 4.694 0.095 17995
2679 1 6 . 1 1 85 85 SER CA C 63 56.772 56.772 56.725 0.047 17995
2680 1 6 . 1 1 85 85 SER CB C 63 66.916 66.916 66.131 0.785 17995
2681 1 6 . 1 1 85 85 SER H H 63 8.384 8.384 8.235 0.149 17995
2682 1 6 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.209 -0.182 17995
2683 1 6 . 1 1 86 86 ALA C C 64 180.211 180.211 179.522 0.689 17995
2684 1 6 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.959 0.542 17995
2685 1 6 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.490 -0.480 17995
2686 1 6 . 1 1 87 87 GLN N N 65 116.123 116.123 115.560 0.563 17995
2687 1 6 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.248 -0.183 17995
2688 1 6 . 1 1 87 87 GLN C C 65 178.564 178.564 177.753 0.811 17995
2689 1 6 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.722 1.017 17995
2690 1 6 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.506 0.937 17995
2691 1 6 . 1 1 87 87 GLN H H 65 7.990 7.990 8.612 -0.622 17995
2692 1 6 . 1 1 88 88 THR N N 66 119.153 119.153 116.345 2.808 17995
2693 1 6 . 1 1 88 88 THR HA H 66 3.631 3.631 3.966 -0.335 17995
2694 1 6 . 1 1 88 88 THR C C 66 174.748 174.748 174.814 -0.066 17995
2695 1 6 . 1 1 88 88 THR CA C 66 66.591 66.591 65.376 1.215 17995
2696 1 6 . 1 1 88 88 THR CB C 66 68.702 68.702 68.432 0.270 17995
2697 1 6 . 1 1 88 88 THR H H 66 7.738 7.738 7.480 0.258 17995
2698 1 6 . 1 1 89 89 PHE N N 67 115.088 115.088 117.260 -2.172 17995
2699 1 6 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.647 -0.410 17995
2700 1 6 . 1 1 89 89 PHE C C 67 173.600 173.600 176.216 -2.616 17995
2701 1 6 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.243 0.279 17995
2702 1 6 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.026 0.680 17995
2703 1 6 . 1 1 89 89 PHE H H 67 7.180 7.180 7.619 -0.439 17995
2704 1 6 . 1 1 90 90 GLU N N 68 122.222 122.222 119.684 2.538 17995
2705 1 6 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.097 0.070 17995
2706 1 6 . 1 1 90 90 GLU C C 68 178.581 178.581 176.917 1.664 17995
2707 1 6 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.457 1.269 17995
2708 1 6 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.889 0.859 17995
2709 1 6 . 1 1 90 90 GLU H H 68 7.421 7.421 7.638 -0.217 17995
2710 1 6 . 1 1 91 91 THR N N 69 106.383 106.383 110.826 -4.443 17995
2711 1 6 . 1 1 91 91 THR HA H 69 5.477 5.477 4.892 0.585 17995
2712 1 6 . 1 1 91 91 THR C C 69 174.775 174.775 174.168 0.607 17995
2713 1 6 . 1 1 91 91 THR CA C 69 58.798 58.798 60.228 -1.430 17995
2714 1 6 . 1 1 91 91 THR CB C 69 74.841 74.841 71.772 3.070 17995
2715 1 6 . 1 1 91 91 THR H H 69 8.534 8.534 7.356 1.178 17995
2716 1 6 . 1 1 92 92 LEU N N 70 120.326 120.326 125.099 -4.773 17995
2717 1 6 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.229 -0.086 17995
2718 1 6 . 1 1 92 92 LEU C C 70 178.174 178.174 177.980 0.194 17995
2719 1 6 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.164 1.102 17995
2720 1 6 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.287 -1.417 17995
2721 1 6 . 1 1 92 92 LEU H H 70 7.991 7.991 8.577 -0.586 17995
2722 1 6 . 1 1 93 93 GLY N N 71 106.588 106.588 105.017 1.571 17995
2723 1 6 . 1 1 93 93 GLY C C 71 175.300 175.300 176.081 -0.781 17995
2724 1 6 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.409 -0.072 17995
2725 1 6 . 1 1 93 93 GLY H H 71 9.019 9.019 8.388 0.631 17995
2726 1 6 . 1 1 94 94 SER N N 72 120.200 120.200 118.546 1.654 17995
2727 1 6 . 1 1 94 94 SER HA H 72 4.090 4.090 4.284 -0.194 17995
2728 1 6 . 1 1 94 94 SER C C 72 177.631 177.631 176.710 0.921 17995
2729 1 6 . 1 1 94 94 SER CA C 72 62.329 62.329 61.939 0.390 17995
2730 1 6 . 1 1 94 94 SER H H 72 8.709 8.709 7.387 1.322 17995
2731 1 6 . 1 1 95 95 LEU N N 73 129.169 129.169 121.567 7.602 17995
2732 1 6 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.962 0.278 17995
2733 1 6 . 1 1 95 95 LEU C C 73 176.439 176.439 179.145 -2.706 17995
2734 1 6 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.051 0.751 17995
2735 1 6 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.076 1.783 17995
2736 1 6 . 1 1 95 95 LEU H H 73 7.800 7.800 7.439 0.361 17995
2737 1 6 . 1 1 96 96 ALA N N 74 121.721 121.721 122.420 -0.699 17995
2738 1 6 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.989 0.000 17995
2739 1 6 . 1 1 96 96 ALA C C 74 180.456 180.456 179.756 0.700 17995
2740 1 6 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.293 0.409 17995
2741 1 6 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.316 -0.600 17995
2742 1 6 . 1 1 96 96 ALA H H 74 8.612 8.612 8.148 0.464 17995
2743 1 6 . 1 1 97 97 LEU N N 75 122.095 122.095 119.331 2.764 17995
2744 1 6 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.991 0.066 17995
2745 1 6 . 1 1 97 97 LEU C C 75 178.805 178.805 179.312 -0.507 17995
2746 1 6 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.098 -0.329 17995
2747 1 6 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.677 1.145 17995
2748 1 6 . 1 1 97 97 LEU H H 75 8.777 8.777 7.815 0.962 17995
2749 1 6 . 1 1 98 98 PHE N N 76 122.741 122.741 117.368 5.373 17995
2750 1 6 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.910 0.352 17995
2751 1 6 . 1 1 98 98 PHE C C 76 176.878 176.878 178.283 -1.405 17995
2752 1 6 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.535 -1.302 17995
2753 1 6 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.384 0.165 17995
2754 1 6 . 1 1 98 98 PHE H H 76 7.889 7.889 7.990 -0.101 17995
2755 1 6 . 1 1 99 99 VAL N N 77 119.641 119.641 115.506 4.135 17995
2756 1 6 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.440 -0.662 17995
2757 1 6 . 1 1 99 99 VAL C C 77 176.414 176.414 177.651 -1.237 17995
2758 1 6 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.002 0.966 17995
2759 1 6 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.255 -0.069 17995
2760 1 6 . 1 1 99 99 VAL H H 77 7.599 7.599 8.136 -0.537 17995
2761 1 6 . 1 1 100 100 GLU N N 78 118.850 118.850 121.939 -3.089 17995
2762 1 6 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.337 -0.564 17995
2763 1 6 . 1 1 100 100 GLU C C 78 179.007 179.007 179.479 -0.472 17995
2764 1 6 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.465 0.075 17995
2765 1 6 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.108 0.669 17995
2766 1 6 . 1 1 100 100 GLU H H 78 7.740 7.740 8.346 -0.606 17995
2767 1 6 . 1 1 101 101 HIS N N 79 120.328 120.328 117.624 2.704 17995
2768 1 6 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.404 -0.203 17995
2769 1 6 . 1 1 101 101 HIS C C 79 178.242 178.242 177.559 0.683 17995
2770 1 6 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.041 0.197 17995
2771 1 6 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.912 0.026 17995
2772 1 6 . 1 1 101 101 HIS H H 79 8.354 8.354 8.142 0.212 17995
2773 1 6 . 1 1 102 102 LYS N N 80 121.044 121.044 118.872 2.172 17995
2774 1 6 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.111 -0.544 17995
2775 1 6 . 1 1 102 102 LYS C C 80 179.199 179.199 179.258 -0.059 17995
2776 1 6 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.568 -1.581 17995
2777 1 6 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.767 -1.591 17995
2778 1 6 . 1 1 102 102 LYS H H 80 7.908 7.908 7.890 0.018 17995
2779 1 6 . 1 1 103 103 LEU N N 81 118.698 118.698 118.557 0.141 17995
2780 1 6 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.477 -0.319 17995
2781 1 6 . 1 1 103 103 LEU C C 81 178.593 178.593 178.590 0.003 17995
2782 1 6 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.955 0.441 17995
2783 1 6 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.761 1.548 17995
2784 1 6 . 1 1 103 103 LEU H H 81 7.784 7.784 7.921 -0.137 17995
2785 1 6 . 1 1 104 104 SER N N 82 114.826 114.826 113.379 1.447 17995
2786 1 6 . 1 1 104 104 SER HA H 82 4.358 4.358 4.419 -0.061 17995
2787 1 6 . 1 1 104 104 SER C C 82 174.810 174.810 174.085 0.725 17995
2788 1 6 . 1 1 104 104 SER CA C 82 59.567 59.567 59.926 -0.359 17995
2789 1 6 . 1 1 104 104 SER CB C 82 63.859 63.859 63.911 -0.052 17995
2790 1 6 . 1 1 104 104 SER H H 82 7.738 7.738 7.966 -0.228 17995
2791 1 7 . 1 1 24 24 GLN N N 2 121.730 121.730 120.237 1.493 17995
2792 1 7 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.389 -0.427 17995
2793 1 7 . 1 1 24 24 GLN C C 2 177.291 177.291 177.726 -0.435 17995
2794 1 7 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.441 0.950 17995
2795 1 7 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.417 -0.707 17995
2796 1 7 . 1 1 24 24 GLN H H 2 8.511 8.511 9.092 -0.581 17995
2797 1 7 . 1 1 25 25 HIS N N 3 116.878 116.878 119.798 -2.920 17995
2798 1 7 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.710 0.393 17995
2799 1 7 . 1 1 25 25 HIS C C 3 175.501 175.501 177.389 -1.888 17995
2800 1 7 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.565 -1.218 17995
2801 1 7 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.926 0.701 17995
2802 1 7 . 1 1 25 25 HIS H H 3 8.216 8.216 8.347 -0.131 17995
2803 1 7 . 1 1 26 26 LEU N N 4 121.540 121.540 119.461 2.079 17995
2804 1 7 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.109 -0.416 17995
2805 1 7 . 1 1 26 26 LEU C C 4 177.649 177.649 178.169 -0.520 17995
2806 1 7 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.407 1.296 17995
2807 1 7 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.119 1.216 17995
2808 1 7 . 1 1 26 26 LEU H H 4 7.447 7.447 8.080 -0.633 17995
2809 1 7 . 1 1 27 27 GLU N N 5 118.441 118.441 120.417 -1.976 17995
2810 1 7 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.887 0.004 17995
2811 1 7 . 1 1 27 27 GLU C C 5 178.162 178.162 178.196 -0.034 17995
2812 1 7 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.244 0.378 17995
2813 1 7 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.435 -0.358 17995
2814 1 7 . 1 1 27 27 GLU H H 5 8.561 8.561 7.798 0.763 17995
2815 1 7 . 1 1 28 28 ALA N N 6 122.005 122.005 122.004 0.001 17995
2816 1 7 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.100 0.032 17995
2817 1 7 . 1 1 28 28 ALA C C 6 180.421 180.421 179.873 0.548 17995
2818 1 7 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.730 0.549 17995
2819 1 7 . 1 1 28 28 ALA CB C 6 18.766 18.766 17.940 0.826 17995
2820 1 7 . 1 1 28 28 ALA H H 6 8.205 8.205 8.221 -0.016 17995
2821 1 7 . 1 1 29 29 VAL N N 7 116.985 116.985 119.355 -2.370 17995
2822 1 7 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.689 -0.180 17995
2823 1 7 . 1 1 29 29 VAL C C 7 177.034 177.034 177.543 -0.509 17995
2824 1 7 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.851 0.512 17995
2825 1 7 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.715 -0.276 17995
2826 1 7 . 1 1 29 29 VAL H H 7 8.392 8.392 8.026 0.366 17995
2827 1 7 . 1 1 30 30 ARG N N 8 121.674 121.674 119.181 2.493 17995
2828 1 7 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.047 -0.383 17995
2829 1 7 . 1 1 30 30 ARG C C 8 177.810 177.810 178.529 -0.719 17995
2830 1 7 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.131 1.394 17995
2831 1 7 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.444 1.222 17995
2832 1 7 . 1 1 30 30 ARG H H 8 8.784 8.784 8.303 0.482 17995
2833 1 7 . 1 1 31 31 ASN N N 9 118.102 118.102 118.817 -0.715 17995
2834 1 7 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.497 -0.213 17995
2835 1 7 . 1 1 31 31 ASN C C 9 177.890 177.890 177.099 0.791 17995
2836 1 7 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.958 0.296 17995
2837 1 7 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.208 -0.620 17995
2838 1 7 . 1 1 31 31 ASN H H 9 8.144 8.144 7.981 0.163 17995
2839 1 7 . 1 1 32 32 ILE N N 10 123.614 123.614 120.311 3.303 17995
2840 1 7 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.351 0.441 17995
2841 1 7 . 1 1 32 32 ILE C C 10 177.810 177.810 177.778 0.032 17995
2842 1 7 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.122 0.136 17995
2843 1 7 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.856 0.878 17995
2844 1 7 . 1 1 32 32 ILE H H 10 8.137 8.137 7.521 0.616 17995
2845 1 7 . 1 1 33 33 LEU N N 11 119.797 119.797 119.038 0.759 17995
2846 1 7 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.016 -0.230 17995
2847 1 7 . 1 1 33 33 LEU C C 11 179.039 179.039 179.478 -0.439 17995
2848 1 7 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.756 0.954 17995
2849 1 7 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.362 0.714 17995
2850 1 7 . 1 1 33 33 LEU H H 11 8.637 8.637 8.496 0.141 17995
2851 1 7 . 1 1 34 34 GLY N N 12 103.682 103.682 106.056 -2.374 17995
2852 1 7 . 1 1 34 34 GLY C C 12 175.242 175.242 175.432 -0.190 17995
2853 1 7 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.889 0.829 17995
2854 1 7 . 1 1 34 34 GLY H H 12 8.513 8.513 8.159 0.354 17995
2855 1 7 . 1 1 35 35 ASP N N 13 122.235 122.235 121.487 0.748 17995
2856 1 7 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.668 -0.083 17995
2857 1 7 . 1 1 35 35 ASP C C 13 179.013 179.013 177.833 1.180 17995
2858 1 7 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.129 0.787 17995
2859 1 7 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.387 -0.341 17995
2860 1 7 . 1 1 35 35 ASP H H 13 7.968 7.968 7.728 0.240 17995
2861 1 7 . 1 1 36 36 VAL N N 14 120.841 120.841 119.755 1.086 17995
2862 1 7 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.865 -0.188 17995
2863 1 7 . 1 1 36 36 VAL C C 14 177.797 177.797 177.718 0.079 17995
2864 1 7 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.418 0.586 17995
2865 1 7 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.328 -0.096 17995
2866 1 7 . 1 1 36 36 VAL H H 14 8.765 8.765 8.135 0.630 17995
2867 1 7 . 1 1 37 37 LEU N N 15 114.630 114.630 115.537 -0.907 17995
2868 1 7 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.368 -0.087 17995
2869 1 7 . 1 1 37 37 LEU C C 15 175.483 175.483 176.621 -1.138 17995
2870 1 7 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.523 -0.353 17995
2871 1 7 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.945 -0.251 17995
2872 1 7 . 1 1 37 37 LEU H H 15 7.942 7.942 7.838 0.104 17995
2873 1 7 . 1 1 38 38 ASN N N 16 116.887 116.887 117.017 -0.130 17995
2874 1 7 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.542 -0.008 17995
2875 1 7 . 1 1 38 38 ASN C C 16 175.668 175.668 174.832 0.836 17995
2876 1 7 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.873 0.047 17995
2877 1 7 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.418 -0.560 17995
2878 1 7 . 1 1 38 38 ASN H H 16 7.561 7.561 7.985 -0.424 17995
2879 1 7 . 1 1 39 39 LEU N N 17 114.676 114.676 120.482 -5.806 17995
2880 1 7 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.328 -0.258 17995
2881 1 7 . 1 1 39 39 LEU C C 17 178.415 178.415 177.996 0.419 17995
2882 1 7 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.702 0.042 17995
2883 1 7 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.548 0.728 17995
2884 1 7 . 1 1 39 39 LEU H H 17 8.233 8.233 7.916 0.317 17995
2885 1 7 . 1 1 40 40 GLY N N 18 109.665 109.665 107.671 1.994 17995
2886 1 7 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.929 -0.625 17995
2887 1 7 . 1 1 40 40 GLY H H 18 8.678 8.678 7.784 0.894 17995
2888 1 7 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.199 -0.071 17995
2889 1 7 . 1 1 41 41 GLU C C 19 178.328 178.328 178.233 0.095 17995
2890 1 7 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.483 0.780 17995
2891 1 7 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.891 -0.811 17995
2892 1 7 . 1 1 42 42 ARG N N 20 118.936 118.936 120.387 -1.451 17995
2893 1 7 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.117 0.058 17995
2894 1 7 . 1 1 42 42 ARG C C 20 178.912 178.912 177.808 1.104 17995
2895 1 7 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.795 -0.558 17995
2896 1 7 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.307 -0.251 17995
2897 1 7 . 1 1 42 42 ARG H H 20 7.979 7.979 7.950 0.029 17995
2898 1 7 . 1 1 43 43 LYS N N 21 119.087 119.087 112.285 6.802 17995
2899 1 7 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.165 -0.417 17995
2900 1 7 . 1 1 43 43 LYS C C 21 176.559 176.559 176.875 -0.316 17995
2901 1 7 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.001 1.097 17995
2902 1 7 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.093 0.888 17995
2903 1 7 . 1 1 43 43 LYS H H 21 7.719 7.719 8.227 -0.508 17995
2904 1 7 . 1 1 44 44 HIS N N 22 115.571 115.571 118.403 -2.832 17995
2905 1 7 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.496 -0.068 17995
2906 1 7 . 1 1 44 44 HIS C C 22 176.288 176.288 176.225 0.063 17995
2907 1 7 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.469 -0.685 17995
2908 1 7 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.860 -0.390 17995
2909 1 7 . 1 1 44 44 HIS H H 22 7.124 7.124 8.009 -0.885 17995
2910 1 7 . 1 1 45 45 THR N N 23 107.890 107.890 113.026 -5.136 17995
2911 1 7 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995
2912 1 7 . 1 1 45 45 THR C C 23 174.650 174.650 175.387 -0.737 17995
2913 1 7 . 1 1 45 45 THR CA C 23 61.627 61.627 64.018 -2.391 17995
2914 1 7 . 1 1 45 45 THR CB C 23 69.475 69.475 69.170 0.305 17995
2915 1 7 . 1 1 45 45 THR H H 23 7.441 7.441 8.025 -0.584 17995
2916 1 7 . 1 1 46 46 LEU N N 24 121.435 121.435 119.361 2.074 17995
2917 1 7 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.715 -0.092 17995
2918 1 7 . 1 1 46 46 LEU C C 24 176.537 176.537 175.758 0.779 17995
2919 1 7 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.597 -0.007 17995
2920 1 7 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.435 0.682 17995
2921 1 7 . 1 1 46 46 LEU H H 24 7.059 7.059 7.375 -0.316 17995
2922 1 7 . 1 1 47 47 THR N N 25 116.104 116.104 112.628 3.476 17995
2923 1 7 . 1 1 47 47 THR HA H 25 4.605 4.605 4.474 0.131 17995
2924 1 7 . 1 1 47 47 THR C C 25 175.526 175.526 175.595 -0.069 17995
2925 1 7 . 1 1 47 47 THR CA C 25 59.878 59.878 60.622 -0.744 17995
2926 1 7 . 1 1 47 47 THR CB C 25 71.752 71.752 70.773 0.979 17995
2927 1 7 . 1 1 47 47 THR H H 25 9.432 9.432 7.720 1.712 17995
2928 1 7 . 1 1 48 48 ALA N N 26 122.234 122.234 121.667 0.567 17995
2929 1 7 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.125 -0.316 17995
2930 1 7 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.851 0.742 17995
2931 1 7 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.492 0.162 17995
2932 1 7 . 1 1 48 48 ALA H H 26 9.142 9.142 8.601 0.541 17995
2933 1 7 . 1 1 49 49 SER HA H 27 4.448 4.448 4.317 0.131 17995
2934 1 7 . 1 1 49 49 SER C C 27 174.637 174.637 174.999 -0.362 17995
2935 1 7 . 1 1 49 49 SER CA C 27 58.348 58.348 59.806 -1.458 17995
2936 1 7 . 1 1 49 49 SER CB C 27 63.704 63.704 63.303 0.401 17995
2937 1 7 . 1 1 50 50 SER N N 28 122.032 122.032 119.030 3.002 17995
2938 1 7 . 1 1 50 50 SER HA H 28 4.269 4.269 4.341 -0.072 17995
2939 1 7 . 1 1 50 50 SER C C 28 172.904 172.904 173.473 -0.569 17995
2940 1 7 . 1 1 50 50 SER CA C 28 60.846 60.846 59.299 1.547 17995
2941 1 7 . 1 1 50 50 SER CB C 28 63.063 63.063 63.595 -0.532 17995
2942 1 7 . 1 1 50 50 SER H H 28 8.157 8.157 7.759 0.398 17995
2943 1 7 . 1 1 51 51 VAL N N 29 127.079 127.079 126.741 0.338 17995
2944 1 7 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.204 0.138 17995
2945 1 7 . 1 1 51 51 VAL C C 29 176.612 176.612 175.883 0.729 17995
2946 1 7 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.163 -0.715 17995
2947 1 7 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.254 -0.029 17995
2948 1 7 . 1 1 51 51 VAL H H 29 8.505 8.505 8.555 -0.050 17995
2949 1 7 . 1 1 52 52 LEU N N 30 126.014 126.014 124.219 1.795 17995
2950 1 7 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.622 0.173 17995
2951 1 7 . 1 1 52 52 LEU C C 30 176.569 176.569 177.470 -0.901 17995
2952 1 7 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.330 -0.798 17995
2953 1 7 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.958 -1.954 17995
2954 1 7 . 1 1 52 52 LEU H H 30 7.954 7.954 8.243 -0.289 17995
2955 1 7 . 1 1 53 53 LEU N N 31 122.601 122.601 120.143 2.458 17995
2956 1 7 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.981 0.105 17995
2957 1 7 . 1 1 53 53 LEU C C 31 177.683 177.683 177.909 -0.226 17995
2958 1 7 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.647 0.727 17995
2959 1 7 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.088 0.731 17995
2960 1 7 . 1 1 53 53 LEU H H 31 7.777 7.777 8.018 -0.241 17995
2961 1 7 . 1 1 54 54 GLY N N 32 114.941 114.941 113.673 1.268 17995
2962 1 7 . 1 1 54 54 GLY C C 32 173.612 173.612 174.356 -0.744 17995
2963 1 7 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.490 0.068 17995
2964 1 7 . 1 1 54 54 GLY H H 32 9.121 9.121 8.669 0.452 17995
2965 1 7 . 1 1 55 55 ASN N N 33 117.901 117.901 120.083 -2.182 17995
2966 1 7 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.715 0.215 17995
2967 1 7 . 1 1 55 55 ASN C C 33 174.458 174.458 176.245 -1.787 17995
2968 1 7 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.546 -0.727 17995
2969 1 7 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.270 2.277 17995
2970 1 7 . 1 1 55 55 ASN H H 33 7.789 7.789 7.800 -0.011 17995
2971 1 7 . 1 1 56 56 ILE N N 34 120.163 120.163 122.221 -2.058 17995
2972 1 7 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.383 0.154 17995
2973 1 7 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.194 -0.194 17995
2974 1 7 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.175 1.918 17995
2975 1 7 . 1 1 56 56 ILE H H 34 7.703 7.703 7.826 -0.123 17995
2976 1 7 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.462 -0.289 17995
2977 1 7 . 1 1 57 57 PRO C C 35 177.969 177.969 176.654 1.315 17995
2978 1 7 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.151 1.125 17995
2979 1 7 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.037 -0.103 17995
2980 1 7 . 1 1 58 58 GLU N N 36 116.701 116.701 116.999 -0.298 17995
2981 1 7 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.424 -0.452 17995
2982 1 7 . 1 1 58 58 GLU C C 36 176.612 176.612 175.687 0.925 17995
2983 1 7 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.665 3.682 17995
2984 1 7 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.675 0.157 17995
2985 1 7 . 1 1 58 58 GLU H H 36 9.581 9.581 8.553 1.028 17995
2986 1 7 . 1 1 59 59 LEU N N 37 121.189 121.189 124.042 -2.853 17995
2987 1 7 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.342 -0.030 17995
2988 1 7 . 1 1 59 59 LEU C C 37 173.353 173.353 175.736 -2.383 17995
2989 1 7 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.720 -1.442 17995
2990 1 7 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.290 0.709 17995
2991 1 7 . 1 1 59 59 LEU H H 37 7.560 7.560 7.233 0.327 17995
2992 1 7 . 1 1 60 60 ASP N N 38 126.468 126.468 124.477 1.991 17995
2993 1 7 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.717 -0.002 17995
2994 1 7 . 1 1 60 60 ASP C C 38 175.828 175.828 177.034 -1.206 17995
2995 1 7 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.009 -1.089 17995
2996 1 7 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.194 -2.638 17995
2997 1 7 . 1 1 60 60 ASP H H 38 7.527 7.527 7.738 -0.211 17995
2998 1 7 . 1 1 61 61 SER N N 39 113.128 113.128 116.618 -3.490 17995
2999 1 7 . 1 1 61 61 SER HA H 39 4.019 4.019 4.067 -0.048 17995
3000 1 7 . 1 1 61 61 SER C C 39 175.854 175.854 176.937 -1.083 17995
3001 1 7 . 1 1 61 61 SER CA C 39 61.276 61.276 61.755 -0.479 17995
3002 1 7 . 1 1 61 61 SER CB C 39 65.520 65.520 62.994 2.526 17995
3003 1 7 . 1 1 61 61 SER H H 39 8.623 8.623 8.518 0.105 17995
3004 1 7 . 1 1 62 62 MET N N 40 121.706 121.706 117.881 3.825 17995
3005 1 7 . 1 1 62 62 MET HA H 40 4.303 4.303 4.202 0.101 17995
3006 1 7 . 1 1 62 62 MET C C 40 177.755 177.755 178.033 -0.278 17995
3007 1 7 . 1 1 62 62 MET CA C 40 57.714 57.714 57.303 0.411 17995
3008 1 7 . 1 1 62 62 MET CB C 40 32.386 32.386 31.744 0.642 17995
3009 1 7 . 1 1 62 62 MET H H 40 7.802 7.802 8.278 -0.476 17995
3010 1 7 . 1 1 63 63 ALA N N 41 124.277 124.277 121.251 3.026 17995
3011 1 7 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.133 0.038 17995
3012 1 7 . 1 1 63 63 ALA C C 41 179.893 179.893 179.485 0.408 17995
3013 1 7 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.693 0.408 17995
3014 1 7 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.920 1.736 17995
3015 1 7 . 1 1 63 63 ALA H H 41 8.295 8.295 7.979 0.316 17995
3016 1 7 . 1 1 64 64 VAL N N 42 118.186 118.186 115.823 2.363 17995
3017 1 7 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.389 -0.396 17995
3018 1 7 . 1 1 64 64 VAL C C 42 177.327 177.327 177.427 -0.100 17995
3019 1 7 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.693 1.619 17995
3020 1 7 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.119 0.073 17995
3021 1 7 . 1 1 64 64 VAL H H 42 8.019 8.019 7.554 0.465 17995
3022 1 7 . 1 1 65 65 VAL N N 43 118.361 118.361 121.266 -2.905 17995
3023 1 7 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.525 0.039 17995
3024 1 7 . 1 1 65 65 VAL C C 43 178.520 178.520 178.155 0.365 17995
3025 1 7 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.428 0.129 17995
3026 1 7 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995
3027 1 7 . 1 1 65 65 VAL H H 43 6.942 6.942 7.399 -0.457 17995
3028 1 7 . 1 1 66 66 ASN N N 44 119.476 119.476 118.417 1.059 17995
3029 1 7 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995
3030 1 7 . 1 1 66 66 ASN C C 44 178.760 178.760 178.081 0.679 17995
3031 1 7 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.275 -0.439 17995
3032 1 7 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.183 -0.376 17995
3033 1 7 . 1 1 66 66 ASN H H 44 7.789 7.789 8.010 -0.221 17995
3034 1 7 . 1 1 67 67 VAL N N 45 124.029 124.029 117.549 6.480 17995
3035 1 7 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.933 -0.315 17995
3036 1 7 . 1 1 67 67 VAL C C 45 177.100 177.100 177.836 -0.736 17995
3037 1 7 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.776 1.589 17995
3038 1 7 . 1 1 67 67 VAL CB C 45 31.460 31.460 30.994 0.466 17995
3039 1 7 . 1 1 67 67 VAL H H 45 9.055 9.055 7.829 1.226 17995
3040 1 7 . 1 1 68 68 ILE N N 46 121.006 121.006 121.704 -0.698 17995
3041 1 7 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.693 0.095 17995
3042 1 7 . 1 1 68 68 ILE C C 46 177.871 177.871 178.051 -0.180 17995
3043 1 7 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.746 -0.484 17995
3044 1 7 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.355 -1.188 17995
3045 1 7 . 1 1 68 68 ILE H H 46 8.509 8.509 7.947 0.562 17995
3046 1 7 . 1 1 69 69 THR N N 47 116.096 116.096 116.201 -0.105 17995
3047 1 7 . 1 1 69 69 THR HA H 47 4.391 4.391 3.878 0.513 17995
3048 1 7 . 1 1 69 69 THR C C 47 176.365 176.365 176.183 0.182 17995
3049 1 7 . 1 1 69 69 THR CA C 47 66.256 66.256 67.016 -0.760 17995
3050 1 7 . 1 1 69 69 THR CB C 47 69.098 69.098 68.648 0.450 17995
3051 1 7 . 1 1 69 69 THR H H 47 8.512 8.512 7.888 0.624 17995
3052 1 7 . 1 1 70 70 ALA N N 48 123.948 123.948 124.307 -0.359 17995
3053 1 7 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.331 -0.028 17995
3054 1 7 . 1 1 70 70 ALA C C 48 181.452 181.452 179.680 1.772 17995
3055 1 7 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.097 0.086 17995
3056 1 7 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.255 1.167 17995
3057 1 7 . 1 1 70 70 ALA H H 48 7.802 7.802 7.860 -0.058 17995
3058 1 7 . 1 1 71 71 LEU N N 49 121.199 121.199 120.102 1.097 17995
3059 1 7 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.287 -0.064 17995
3060 1 7 . 1 1 71 71 LEU C C 49 178.192 178.192 179.364 -1.172 17995
3061 1 7 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.344 0.217 17995
3062 1 7 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.941 1.510 17995
3063 1 7 . 1 1 71 71 LEU H H 49 8.802 8.802 8.419 0.383 17995
3064 1 7 . 1 1 72 72 GLU N N 50 119.782 119.782 118.309 1.473 17995
3065 1 7 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.648 -0.158 17995
3066 1 7 . 1 1 72 72 GLU C C 50 180.303 180.303 179.358 0.945 17995
3067 1 7 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.031 0.820 17995
3068 1 7 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.814 2.294 17995
3069 1 7 . 1 1 72 72 GLU H H 50 8.762 8.762 7.892 0.870 17995
3070 1 7 . 1 1 73 73 GLU N N 51 116.902 116.902 118.862 -1.960 17995
3071 1 7 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.102 -0.050 17995
3072 1 7 . 1 1 73 73 GLU C C 51 178.334 178.334 179.022 -0.688 17995
3073 1 7 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.812 -0.194 17995
3074 1 7 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.475 0.607 17995
3075 1 7 . 1 1 73 73 GLU H H 51 7.953 7.953 7.844 0.109 17995
3076 1 7 . 1 1 74 74 TYR N N 52 119.999 119.999 117.263 2.736 17995
3077 1 7 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.304 -0.422 17995
3078 1 7 . 1 1 74 74 TYR C C 52 177.384 177.384 178.142 -0.758 17995
3079 1 7 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.158 0.442 17995
3080 1 7 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.700 0.945 17995
3081 1 7 . 1 1 74 74 TYR H H 52 8.078 8.078 8.147 -0.069 17995
3082 1 7 . 1 1 75 75 PHE N N 53 113.650 113.650 115.112 -1.462 17995
3083 1 7 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.534 -0.348 17995
3084 1 7 . 1 1 75 75 PHE C C 53 174.485 174.485 175.545 -1.060 17995
3085 1 7 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.790 -0.546 17995
3086 1 7 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.782 0.258 17995
3087 1 7 . 1 1 75 75 PHE H H 53 8.244 8.244 8.263 -0.019 17995
3088 1 7 . 1 1 76 76 ASP N N 54 119.712 119.712 118.263 1.449 17995
3089 1 7 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.546 -0.166 17995
3090 1 7 . 1 1 76 76 ASP C C 54 174.118 174.118 175.437 -1.319 17995
3091 1 7 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.497 -0.634 17995
3092 1 7 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.900 0.256 17995
3093 1 7 . 1 1 76 76 ASP H H 54 7.596 7.596 8.222 -0.626 17995
3094 1 7 . 1 1 77 77 PHE N N 55 113.804 113.804 116.346 -2.542 17995
3095 1 7 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.937 0.138 17995
3096 1 7 . 1 1 77 77 PHE C C 55 174.384 174.384 173.339 1.045 17995
3097 1 7 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.464 -1.028 17995
3098 1 7 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.944 -0.313 17995
3099 1 7 . 1 1 77 77 PHE H H 55 7.725 7.725 7.466 0.259 17995
3100 1 7 . 1 1 78 78 SER N N 56 114.319 114.319 115.986 -1.667 17995
3101 1 7 . 1 1 78 78 SER HA H 56 5.149 5.149 4.678 0.471 17995
3102 1 7 . 1 1 78 78 SER C C 56 174.100 174.100 173.645 0.455 17995
3103 1 7 . 1 1 78 78 SER CA C 56 56.800 56.800 56.373 0.427 17995
3104 1 7 . 1 1 78 78 SER CB C 56 65.011 65.011 63.752 1.259 17995
3105 1 7 . 1 1 78 78 SER H H 56 8.727 8.727 8.391 0.336 17995
3106 1 7 . 1 1 79 79 VAL N N 57 128.316 128.316 126.590 1.726 17995
3107 1 7 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.158 0.086 17995
3108 1 7 . 1 1 79 79 VAL C C 57 175.637 175.637 175.456 0.181 17995
3109 1 7 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.749 -0.995 17995
3110 1 7 . 1 1 79 79 VAL CB C 57 32.873 32.873 33.205 -0.332 17995
3111 1 7 . 1 1 79 79 VAL H H 57 10.222 10.222 8.123 2.099 17995
3112 1 7 . 1 1 80 80 ASP N N 58 130.058 130.058 126.223 3.835 17995
3113 1 7 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.699 0.147 17995
3114 1 7 . 1 1 80 80 ASP C C 58 177.205 177.205 176.423 0.782 17995
3115 1 7 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.122 -0.646 17995
3116 1 7 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.541 -0.875 17995
3117 1 7 . 1 1 80 80 ASP H H 58 9.396 9.396 8.241 1.155 17995
3118 1 7 . 1 1 81 81 ASP N N 59 122.564 122.564 123.748 -1.184 17995
3119 1 7 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.432 -0.152 17995
3120 1 7 . 1 1 81 81 ASP C C 59 177.291 177.291 177.817 -0.526 17995
3121 1 7 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.876 0.584 17995
3122 1 7 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.252 -0.522 17995
3123 1 7 . 1 1 81 81 ASP H H 59 8.696 8.696 8.788 -0.092 17995
3124 1 7 . 1 1 82 82 ASP N N 60 115.817 115.817 119.230 -3.413 17995
3125 1 7 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.482 0.077 17995
3126 1 7 . 1 1 82 82 ASP C C 60 176.939 176.939 177.229 -0.290 17995
3127 1 7 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.155 -1.294 17995
3128 1 7 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.839 -0.424 17995
3129 1 7 . 1 1 82 82 ASP H H 60 8.460 8.460 8.134 0.326 17995
3130 1 7 . 1 1 83 83 GLU N N 61 118.478 118.478 117.878 0.600 17995
3131 1 7 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.243 0.058 17995
3132 1 7 . 1 1 83 83 GLU C C 61 175.841 175.841 176.675 -0.834 17995
3133 1 7 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.824 0.480 17995
3134 1 7 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.101 1.390 17995
3135 1 7 . 1 1 83 83 GLU H H 61 7.903 7.903 7.857 0.046 17995
3136 1 7 . 1 1 84 84 ILE N N 62 117.759 117.759 122.104 -4.345 17995
3137 1 7 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.606 0.559 17995
3138 1 7 . 1 1 84 84 ILE C C 62 174.069 174.069 175.197 -1.128 17995
3139 1 7 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.776 -2.281 17995
3140 1 7 . 1 1 84 84 ILE CB C 62 39.135 39.135 38.123 1.012 17995
3141 1 7 . 1 1 84 84 ILE H H 62 7.396 7.396 7.335 0.061 17995
3142 1 7 . 1 1 85 85 SER N N 63 119.980 119.980 120.807 -0.827 17995
3143 1 7 . 1 1 85 85 SER HA H 63 4.789 4.789 4.703 0.086 17995
3144 1 7 . 1 1 85 85 SER CA C 63 56.772 56.772 55.995 0.777 17995
3145 1 7 . 1 1 85 85 SER CB C 63 66.916 66.916 65.631 1.285 17995
3146 1 7 . 1 1 85 85 SER H H 63 8.384 8.384 8.238 0.146 17995
3147 1 7 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.424 -0.397 17995
3148 1 7 . 1 1 86 86 ALA C C 64 180.211 180.211 179.230 0.981 17995
3149 1 7 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.743 0.757 17995
3150 1 7 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.806 -0.796 17995
3151 1 7 . 1 1 87 87 GLN N N 65 116.123 116.123 115.371 0.752 17995
3152 1 7 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.182 -0.117 17995
3153 1 7 . 1 1 87 87 GLN C C 65 178.564 178.564 177.399 1.165 17995
3154 1 7 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.700 1.039 17995
3155 1 7 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.774 0.669 17995
3156 1 7 . 1 1 87 87 GLN H H 65 7.990 7.990 7.838 0.152 17995
3157 1 7 . 1 1 88 88 THR N N 66 119.153 119.153 116.439 2.714 17995
3158 1 7 . 1 1 88 88 THR HA H 66 3.631 3.631 4.241 -0.610 17995
3159 1 7 . 1 1 88 88 THR C C 66 174.748 174.748 176.129 -1.381 17995
3160 1 7 . 1 1 88 88 THR CA C 66 66.591 66.591 65.963 0.628 17995
3161 1 7 . 1 1 88 88 THR CB C 66 68.702 68.702 68.667 0.035 17995
3162 1 7 . 1 1 88 88 THR H H 66 7.738 7.738 7.537 0.201 17995
3163 1 7 . 1 1 89 89 PHE N N 67 115.088 115.088 119.004 -3.916 17995
3164 1 7 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.608 -0.371 17995
3165 1 7 . 1 1 89 89 PHE C C 67 173.600 173.600 176.777 -3.177 17995
3166 1 7 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.811 -1.289 17995
3167 1 7 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.706 2.000 17995
3168 1 7 . 1 1 89 89 PHE H H 67 7.180 7.180 7.565 -0.385 17995
3169 1 7 . 1 1 90 90 GLU N N 68 122.222 122.222 118.830 3.392 17995
3170 1 7 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.102 0.065 17995
3171 1 7 . 1 1 90 90 GLU C C 68 178.581 178.581 176.919 1.662 17995
3172 1 7 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.185 1.541 17995
3173 1 7 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.940 0.808 17995
3174 1 7 . 1 1 90 90 GLU H H 68 7.421 7.421 8.166 -0.745 17995
3175 1 7 . 1 1 91 91 THR N N 69 106.383 106.383 111.370 -4.987 17995
3176 1 7 . 1 1 91 91 THR HA H 69 5.477 5.477 4.860 0.617 17995
3177 1 7 . 1 1 91 91 THR C C 69 174.775 174.775 173.804 0.971 17995
3178 1 7 . 1 1 91 91 THR CA C 69 58.798 58.798 59.844 -1.046 17995
3179 1 7 . 1 1 91 91 THR CB C 69 74.841 74.841 71.394 3.447 17995
3180 1 7 . 1 1 91 91 THR H H 69 8.534 8.534 7.298 1.236 17995
3181 1 7 . 1 1 92 92 LEU N N 70 120.326 120.326 124.111 -3.785 17995
3182 1 7 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.204 -0.061 17995
3183 1 7 . 1 1 92 92 LEU C C 70 178.174 178.174 177.889 0.285 17995
3184 1 7 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.289 0.977 17995
3185 1 7 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.257 -1.387 17995
3186 1 7 . 1 1 92 92 LEU H H 70 7.991 7.991 8.907 -0.916 17995
3187 1 7 . 1 1 93 93 GLY N N 71 106.588 106.588 104.974 1.614 17995
3188 1 7 . 1 1 93 93 GLY C C 71 175.300 175.300 176.166 -0.866 17995
3189 1 7 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.414 -0.077 17995
3190 1 7 . 1 1 93 93 GLY H H 71 9.019 9.019 8.279 0.740 17995
3191 1 7 . 1 1 94 94 SER N N 72 120.200 120.200 118.441 1.759 17995
3192 1 7 . 1 1 94 94 SER HA H 72 4.090 4.090 4.247 -0.157 17995
3193 1 7 . 1 1 94 94 SER C C 72 177.631 177.631 176.650 0.981 17995
3194 1 7 . 1 1 94 94 SER CA C 72 62.329 62.329 61.571 0.758 17995
3195 1 7 . 1 1 94 94 SER H H 72 8.709 8.709 7.402 1.307 17995
3196 1 7 . 1 1 95 95 LEU N N 73 129.169 129.169 121.906 7.263 17995
3197 1 7 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.036 0.204 17995
3198 1 7 . 1 1 95 95 LEU C C 73 176.439 176.439 179.057 -2.618 17995
3199 1 7 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.752 0.050 17995
3200 1 7 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.651 1.208 17995
3201 1 7 . 1 1 95 95 LEU H H 73 7.800 7.800 7.495 0.305 17995
3202 1 7 . 1 1 96 96 ALA N N 74 121.721 121.721 121.317 0.404 17995
3203 1 7 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.025 -0.036 17995
3204 1 7 . 1 1 96 96 ALA C C 74 180.456 180.456 179.840 0.616 17995
3205 1 7 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.166 0.536 17995
3206 1 7 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.398 -0.683 17995
3207 1 7 . 1 1 96 96 ALA H H 74 8.612 8.612 8.204 0.408 17995
3208 1 7 . 1 1 97 97 LEU N N 75 122.095 122.095 119.777 2.318 17995
3209 1 7 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.941 0.116 17995
3210 1 7 . 1 1 97 97 LEU C C 75 178.805 178.805 178.989 -0.184 17995
3211 1 7 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.778 -0.009 17995
3212 1 7 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.842 0.980 17995
3213 1 7 . 1 1 97 97 LEU H H 75 8.777 8.777 7.711 1.066 17995
3214 1 7 . 1 1 98 98 PHE N N 76 122.741 122.741 117.559 5.182 17995
3215 1 7 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.328 -0.066 17995
3216 1 7 . 1 1 98 98 PHE C C 76 176.878 176.878 178.617 -1.739 17995
3217 1 7 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.430 -1.198 17995
3218 1 7 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.531 0.018 17995
3219 1 7 . 1 1 98 98 PHE H H 76 7.889 7.889 8.026 -0.137 17995
3220 1 7 . 1 1 99 99 VAL N N 77 119.641 119.641 115.167 4.474 17995
3221 1 7 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.325 -0.547 17995
3222 1 7 . 1 1 99 99 VAL C C 77 176.414 176.414 177.431 -1.017 17995
3223 1 7 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.757 1.211 17995
3224 1 7 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.933 0.253 17995
3225 1 7 . 1 1 99 99 VAL H H 77 7.599 7.599 8.048 -0.449 17995
3226 1 7 . 1 1 100 100 GLU N N 78 118.850 118.850 121.955 -3.105 17995
3227 1 7 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.144 -0.371 17995
3228 1 7 . 1 1 100 100 GLU C C 78 179.007 179.007 179.156 -0.149 17995
3229 1 7 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.127 0.413 17995
3230 1 7 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.629 1.149 17995
3231 1 7 . 1 1 100 100 GLU H H 78 7.740 7.740 7.987 -0.247 17995
3232 1 7 . 1 1 101 101 HIS N N 79 120.328 120.328 118.157 2.171 17995
3233 1 7 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.246 -0.045 17995
3234 1 7 . 1 1 101 101 HIS C C 79 178.242 178.242 177.716 0.526 17995
3235 1 7 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.561 -0.323 17995
3236 1 7 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.800 0.138 17995
3237 1 7 . 1 1 101 101 HIS H H 79 8.354 8.354 7.848 0.506 17995
3238 1 7 . 1 1 102 102 LYS N N 80 121.044 121.044 117.005 4.039 17995
3239 1 7 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.185 -0.618 17995
3240 1 7 . 1 1 102 102 LYS C C 80 179.199 179.199 178.426 0.773 17995
3241 1 7 . 1 1 102 102 LYS CA C 80 56.987 56.987 57.745 -0.758 17995
3242 1 7 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.829 -1.653 17995
3243 1 7 . 1 1 102 102 LYS H H 80 7.908 7.908 7.728 0.180 17995
3244 1 7 . 1 1 103 103 LEU N N 81 118.698 118.698 117.035 1.663 17995
3245 1 7 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.323 -0.165 17995
3246 1 7 . 1 1 103 103 LEU C C 81 178.593 178.593 178.053 0.540 17995
3247 1 7 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.634 0.762 17995
3248 1 7 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.526 0.783 17995
3249 1 7 . 1 1 103 103 LEU H H 81 7.784 7.784 7.782 0.002 17995
3250 1 7 . 1 1 104 104 SER N N 82 114.826 114.826 112.386 2.440 17995
3251 1 7 . 1 1 104 104 SER HA H 82 4.358 4.358 4.582 -0.224 17995
3252 1 7 . 1 1 104 104 SER C C 82 174.810 174.810 173.792 1.018 17995
3253 1 7 . 1 1 104 104 SER CA C 82 59.567 59.567 59.281 0.286 17995
3254 1 7 . 1 1 104 104 SER CB C 82 63.859 63.859 64.498 -0.639 17995
3255 1 7 . 1 1 104 104 SER H H 82 7.738 7.738 7.817 -0.079 17995
3256 1 8 . 1 1 24 24 GLN N N 2 121.730 121.730 127.089 -5.359 17995
3257 1 8 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.092 -0.130 17995
3258 1 8 . 1 1 24 24 GLN C C 2 177.291 177.291 177.803 -0.512 17995
3259 1 8 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.679 -0.288 17995
3260 1 8 . 1 1 24 24 GLN CB C 2 28.710 28.710 28.595 0.115 17995
3261 1 8 . 1 1 24 24 GLN H H 2 8.511 8.511 9.113 -0.602 17995
3262 1 8 . 1 1 25 25 HIS N N 3 116.878 116.878 119.566 -2.688 17995
3263 1 8 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.659 0.444 17995
3264 1 8 . 1 1 25 25 HIS C C 3 175.501 175.501 177.205 -1.704 17995
3265 1 8 . 1 1 25 25 HIS CA C 3 56.347 56.347 55.754 0.593 17995
3266 1 8 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.275 1.352 17995
3267 1 8 . 1 1 25 25 HIS H H 3 8.216 8.216 8.304 -0.088 17995
3268 1 8 . 1 1 26 26 LEU N N 4 121.540 121.540 120.101 1.439 17995
3269 1 8 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.134 -0.441 17995
3270 1 8 . 1 1 26 26 LEU C C 4 177.649 177.649 178.341 -0.692 17995
3271 1 8 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.210 1.493 17995
3272 1 8 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.536 0.798 17995
3273 1 8 . 1 1 26 26 LEU H H 4 7.447 7.447 7.797 -0.350 17995
3274 1 8 . 1 1 27 27 GLU N N 5 118.441 118.441 120.309 -1.868 17995
3275 1 8 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.936 -0.045 17995
3276 1 8 . 1 1 27 27 GLU C C 5 178.162 178.162 178.345 -0.183 17995
3277 1 8 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.371 0.251 17995
3278 1 8 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.109 -0.032 17995
3279 1 8 . 1 1 27 27 GLU H H 5 8.561 8.561 7.808 0.753 17995
3280 1 8 . 1 1 28 28 ALA N N 6 122.005 122.005 121.510 0.495 17995
3281 1 8 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.120 0.012 17995
3282 1 8 . 1 1 28 28 ALA C C 6 180.421 180.421 180.054 0.367 17995
3283 1 8 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.856 0.423 17995
3284 1 8 . 1 1 28 28 ALA CB C 6 18.766 18.766 17.939 0.827 17995
3285 1 8 . 1 1 28 28 ALA H H 6 8.205 8.205 7.660 0.545 17995
3286 1 8 . 1 1 29 29 VAL N N 7 116.985 116.985 119.402 -2.417 17995
3287 1 8 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.819 -0.310 17995
3288 1 8 . 1 1 29 29 VAL C C 7 177.034 177.034 177.990 -0.956 17995
3289 1 8 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.791 0.572 17995
3290 1 8 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.154 0.285 17995
3291 1 8 . 1 1 29 29 VAL H H 7 8.392 8.392 8.137 0.255 17995
3292 1 8 . 1 1 30 30 ARG N N 8 121.674 121.674 119.230 2.444 17995
3293 1 8 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.018 -0.354 17995
3294 1 8 . 1 1 30 30 ARG C C 8 177.810 177.810 178.340 -0.530 17995
3295 1 8 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.358 1.167 17995
3296 1 8 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.402 1.264 17995
3297 1 8 . 1 1 30 30 ARG H H 8 8.784 8.784 8.356 0.428 17995
3298 1 8 . 1 1 31 31 ASN N N 9 118.102 118.102 118.879 -0.777 17995
3299 1 8 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.509 -0.225 17995
3300 1 8 . 1 1 31 31 ASN C C 9 177.890 177.890 177.296 0.594 17995
3301 1 8 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.061 0.193 17995
3302 1 8 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.169 -0.581 17995
3303 1 8 . 1 1 31 31 ASN H H 9 8.144 8.144 7.953 0.191 17995
3304 1 8 . 1 1 32 32 ILE N N 10 123.614 123.614 120.254 3.360 17995
3305 1 8 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.399 0.393 17995
3306 1 8 . 1 1 32 32 ILE C C 10 177.810 177.810 177.754 0.056 17995
3307 1 8 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.111 0.147 17995
3308 1 8 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.870 0.864 17995
3309 1 8 . 1 1 32 32 ILE H H 10 8.137 8.137 7.607 0.530 17995
3310 1 8 . 1 1 33 33 LEU N N 11 119.797 119.797 119.918 -0.121 17995
3311 1 8 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.972 -0.186 17995
3312 1 8 . 1 1 33 33 LEU C C 11 179.039 179.039 179.460 -0.421 17995
3313 1 8 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.103 0.607 17995
3314 1 8 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.403 0.673 17995
3315 1 8 . 1 1 33 33 LEU H H 11 8.637 8.637 8.420 0.217 17995
3316 1 8 . 1 1 34 34 GLY N N 12 103.682 103.682 105.160 -1.478 17995
3317 1 8 . 1 1 34 34 GLY C C 12 175.242 175.242 175.643 -0.401 17995
3318 1 8 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.501 1.217 17995
3319 1 8 . 1 1 34 34 GLY H H 12 8.513 8.513 8.353 0.160 17995
3320 1 8 . 1 1 35 35 ASP N N 13 122.235 122.235 121.862 0.373 17995
3321 1 8 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.500 0.085 17995
3322 1 8 . 1 1 35 35 ASP C C 13 179.013 179.013 177.881 1.132 17995
3323 1 8 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.518 0.398 17995
3324 1 8 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.145 -0.099 17995
3325 1 8 . 1 1 35 35 ASP H H 13 7.968 7.968 7.694 0.274 17995
3326 1 8 . 1 1 36 36 VAL N N 14 120.841 120.841 119.591 1.250 17995
3327 1 8 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.846 -0.169 17995
3328 1 8 . 1 1 36 36 VAL C C 14 177.797 177.797 177.723 0.074 17995
3329 1 8 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.847 0.157 17995
3330 1 8 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.179 0.052 17995
3331 1 8 . 1 1 36 36 VAL H H 14 8.765 8.765 8.005 0.760 17995
3332 1 8 . 1 1 37 37 LEU N N 15 114.630 114.630 115.339 -0.709 17995
3333 1 8 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.294 -0.013 17995
3334 1 8 . 1 1 37 37 LEU C C 15 175.483 175.483 176.091 -0.608 17995
3335 1 8 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.700 -0.530 17995
3336 1 8 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.043 -1.349 17995
3337 1 8 . 1 1 37 37 LEU H H 15 7.942 7.942 7.852 0.090 17995
3338 1 8 . 1 1 38 38 ASN N N 16 116.887 116.887 116.387 0.500 17995
3339 1 8 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.547 -0.013 17995
3340 1 8 . 1 1 38 38 ASN C C 16 175.668 175.668 174.809 0.859 17995
3341 1 8 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.900 0.020 17995
3342 1 8 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.387 -0.529 17995
3343 1 8 . 1 1 38 38 ASN H H 16 7.561 7.561 8.181 -0.620 17995
3344 1 8 . 1 1 39 39 LEU N N 17 114.676 114.676 119.232 -4.556 17995
3345 1 8 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.322 -0.252 17995
3346 1 8 . 1 1 39 39 LEU C C 17 178.415 178.415 177.776 0.639 17995
3347 1 8 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.475 0.269 17995
3348 1 8 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.590 0.686 17995
3349 1 8 . 1 1 39 39 LEU H H 17 8.233 8.233 8.003 0.230 17995
3350 1 8 . 1 1 40 40 GLY N N 18 109.665 109.665 107.511 2.154 17995
3351 1 8 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.724 -0.419 17995
3352 1 8 . 1 1 40 40 GLY H H 18 8.678 8.678 7.767 0.911 17995
3353 1 8 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.327 -0.199 17995
3354 1 8 . 1 1 41 41 GLU C C 19 178.328 178.328 177.839 0.489 17995
3355 1 8 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.216 1.048 17995
3356 1 8 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.490 -0.410 17995
3357 1 8 . 1 1 42 42 ARG N N 20 118.936 118.936 121.935 -2.999 17995
3358 1 8 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.082 0.093 17995
3359 1 8 . 1 1 42 42 ARG C C 20 178.912 178.912 177.435 1.477 17995
3360 1 8 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.752 -0.515 17995
3361 1 8 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.033 0.023 17995
3362 1 8 . 1 1 42 42 ARG H H 20 7.979 7.979 7.819 0.161 17995
3363 1 8 . 1 1 43 43 LYS N N 21 119.087 119.087 115.246 3.841 17995
3364 1 8 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.127 -0.379 17995
3365 1 8 . 1 1 43 43 LYS C C 21 176.559 176.559 178.431 -1.872 17995
3366 1 8 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.864 0.234 17995
3367 1 8 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.705 0.276 17995
3368 1 8 . 1 1 43 43 LYS H H 21 7.719 7.719 8.209 -0.490 17995
3369 1 8 . 1 1 44 44 HIS N N 22 115.571 115.571 117.076 -1.505 17995
3370 1 8 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.628 -0.200 17995
3371 1 8 . 1 1 44 44 HIS C C 22 176.288 176.288 175.283 1.005 17995
3372 1 8 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.597 0.187 17995
3373 1 8 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.876 -0.406 17995
3374 1 8 . 1 1 44 44 HIS H H 22 7.124 7.124 7.708 -0.584 17995
3375 1 8 . 1 1 45 45 THR N N 23 107.890 107.890 112.891 -5.001 17995
3376 1 8 . 1 1 45 45 THR HA H 23 4.355 4.355 4.272 0.083 17995
3377 1 8 . 1 1 45 45 THR C C 23 174.650 174.650 174.716 -0.066 17995
3378 1 8 . 1 1 45 45 THR CA C 23 61.627 61.627 61.917 -0.290 17995
3379 1 8 . 1 1 45 45 THR CB C 23 69.475 69.475 68.603 0.872 17995
3380 1 8 . 1 1 45 45 THR H H 23 7.441 7.441 7.504 -0.063 17995
3381 1 8 . 1 1 46 46 LEU N N 24 121.435 121.435 119.906 1.529 17995
3382 1 8 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.886 -0.263 17995
3383 1 8 . 1 1 46 46 LEU C C 24 176.537 176.537 175.329 1.208 17995
3384 1 8 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.582 1.008 17995
3385 1 8 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.151 -0.034 17995
3386 1 8 . 1 1 46 46 LEU H H 24 7.059 7.059 7.222 -0.163 17995
3387 1 8 . 1 1 47 47 THR N N 25 116.104 116.104 113.277 2.827 17995
3388 1 8 . 1 1 47 47 THR HA H 25 4.605 4.605 4.660 -0.055 17995
3389 1 8 . 1 1 47 47 THR C C 25 175.526 175.526 175.014 0.512 17995
3390 1 8 . 1 1 47 47 THR CA C 25 59.878 59.878 59.085 0.793 17995
3391 1 8 . 1 1 47 47 THR CB C 25 71.752 71.752 71.798 -0.046 17995
3392 1 8 . 1 1 47 47 THR H H 25 9.432 9.432 8.004 1.428 17995
3393 1 8 . 1 1 48 48 ALA N N 26 122.234 122.234 120.639 1.595 17995
3394 1 8 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.229 -0.420 17995
3395 1 8 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.908 0.684 17995
3396 1 8 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.439 0.215 17995
3397 1 8 . 1 1 48 48 ALA H H 26 9.142 9.142 8.572 0.570 17995
3398 1 8 . 1 1 49 49 SER HA H 27 4.448 4.448 4.432 0.016 17995
3399 1 8 . 1 1 49 49 SER C C 27 174.637 174.637 174.247 0.390 17995
3400 1 8 . 1 1 49 49 SER CA C 27 58.348 58.348 58.400 -0.052 17995
3401 1 8 . 1 1 49 49 SER CB C 27 63.704 63.704 63.320 0.384 17995
3402 1 8 . 1 1 50 50 SER N N 28 122.032 122.032 117.896 4.136 17995
3403 1 8 . 1 1 50 50 SER HA H 28 4.269 4.269 4.476 -0.207 17995
3404 1 8 . 1 1 50 50 SER C C 28 172.904 172.904 174.241 -1.337 17995
3405 1 8 . 1 1 50 50 SER CA C 28 60.846 60.846 57.634 3.212 17995
3406 1 8 . 1 1 50 50 SER CB C 28 63.063 63.063 63.551 -0.488 17995
3407 1 8 . 1 1 50 50 SER H H 28 8.157 8.157 7.441 0.716 17995
3408 1 8 . 1 1 51 51 VAL N N 29 127.079 127.079 125.593 1.486 17995
3409 1 8 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.042 0.300 17995
3410 1 8 . 1 1 51 51 VAL C C 29 176.612 176.612 175.730 0.882 17995
3411 1 8 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.811 -0.363 17995
3412 1 8 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.554 -0.329 17995
3413 1 8 . 1 1 51 51 VAL H H 29 8.505 8.505 8.511 -0.006 17995
3414 1 8 . 1 1 52 52 LEU N N 30 126.014 126.014 125.542 0.472 17995
3415 1 8 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.628 0.167 17995
3416 1 8 . 1 1 52 52 LEU C C 30 176.569 176.569 176.930 -0.361 17995
3417 1 8 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.995 -1.463 17995
3418 1 8 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.826 -1.822 17995
3419 1 8 . 1 1 52 52 LEU H H 30 7.954 7.954 8.529 -0.575 17995
3420 1 8 . 1 1 53 53 LEU N N 31 122.601 122.601 120.411 2.190 17995
3421 1 8 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.892 0.194 17995
3422 1 8 . 1 1 53 53 LEU C C 31 177.683 177.683 177.636 0.047 17995
3423 1 8 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.764 0.610 17995
3424 1 8 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.077 -0.258 17995
3425 1 8 . 1 1 53 53 LEU H H 31 7.777 7.777 7.696 0.081 17995
3426 1 8 . 1 1 54 54 GLY N N 32 114.941 114.941 114.509 0.432 17995
3427 1 8 . 1 1 54 54 GLY C C 32 173.612 173.612 174.357 -0.745 17995
3428 1 8 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.925 -0.367 17995
3429 1 8 . 1 1 54 54 GLY H H 32 9.121 9.121 8.889 0.232 17995
3430 1 8 . 1 1 55 55 ASN N N 33 117.901 117.901 119.764 -1.863 17995
3431 1 8 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.807 0.123 17995
3432 1 8 . 1 1 55 55 ASN C C 33 174.458 174.458 176.329 -1.871 17995
3433 1 8 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.040 -0.221 17995
3434 1 8 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.881 1.666 17995
3435 1 8 . 1 1 55 55 ASN H H 33 7.789 7.789 7.723 0.066 17995
3436 1 8 . 1 1 56 56 ILE N N 34 120.163 120.163 122.571 -2.408 17995
3437 1 8 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.366 0.171 17995
3438 1 8 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.161 -0.160 17995
3439 1 8 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.539 1.554 17995
3440 1 8 . 1 1 56 56 ILE H H 34 7.703 7.703 8.116 -0.413 17995
3441 1 8 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.394 -0.221 17995
3442 1 8 . 1 1 57 57 PRO C C 35 177.969 177.969 176.782 1.187 17995
3443 1 8 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.254 1.022 17995
3444 1 8 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.994 -0.060 17995
3445 1 8 . 1 1 58 58 GLU N N 36 116.701 116.701 116.730 -0.029 17995
3446 1 8 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.360 -0.388 17995
3447 1 8 . 1 1 58 58 GLU C C 36 176.612 176.612 175.981 0.631 17995
3448 1 8 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.056 3.291 17995
3449 1 8 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.785 0.047 17995
3450 1 8 . 1 1 58 58 GLU H H 36 9.581 9.581 8.560 1.021 17995
3451 1 8 . 1 1 59 59 LEU N N 37 121.189 121.189 123.530 -2.341 17995
3452 1 8 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.346 -0.034 17995
3453 1 8 . 1 1 59 59 LEU C C 37 173.353 173.353 175.716 -2.363 17995
3454 1 8 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.979 -1.701 17995
3455 1 8 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.471 0.527 17995
3456 1 8 . 1 1 59 59 LEU H H 37 7.560 7.560 7.399 0.161 17995
3457 1 8 . 1 1 60 60 ASP N N 38 126.468 126.468 124.870 1.598 17995
3458 1 8 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.791 -0.076 17995
3459 1 8 . 1 1 60 60 ASP C C 38 175.828 175.828 177.075 -1.247 17995
3460 1 8 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.075 -1.155 17995
3461 1 8 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.108 -2.552 17995
3462 1 8 . 1 1 60 60 ASP H H 38 7.527 7.527 7.750 -0.223 17995
3463 1 8 . 1 1 61 61 SER N N 39 113.128 113.128 116.120 -2.992 17995
3464 1 8 . 1 1 61 61 SER HA H 39 4.019 4.019 4.164 -0.145 17995
3465 1 8 . 1 1 61 61 SER C C 39 175.854 175.854 176.764 -0.910 17995
3466 1 8 . 1 1 61 61 SER CA C 39 61.276 61.276 62.043 -0.767 17995
3467 1 8 . 1 1 61 61 SER CB C 39 65.520 65.520 63.006 2.514 17995
3468 1 8 . 1 1 61 61 SER H H 39 8.623 8.623 8.604 0.019 17995
3469 1 8 . 1 1 62 62 MET N N 40 121.706 121.706 119.423 2.283 17995
3470 1 8 . 1 1 62 62 MET HA H 40 4.303 4.303 4.293 0.010 17995
3471 1 8 . 1 1 62 62 MET C C 40 177.755 177.755 178.074 -0.319 17995
3472 1 8 . 1 1 62 62 MET CA C 40 57.714 57.714 57.171 0.543 17995
3473 1 8 . 1 1 62 62 MET CB C 40 32.386 32.386 31.351 1.035 17995
3474 1 8 . 1 1 62 62 MET H H 40 7.802 7.802 8.485 -0.683 17995
3475 1 8 . 1 1 63 63 ALA N N 41 124.277 124.277 122.951 1.326 17995
3476 1 8 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.066 0.105 17995
3477 1 8 . 1 1 63 63 ALA C C 41 179.893 179.893 179.614 0.279 17995
3478 1 8 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.015 0.086 17995
3479 1 8 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.593 2.063 17995
3480 1 8 . 1 1 63 63 ALA H H 41 8.295 8.295 8.044 0.251 17995
3481 1 8 . 1 1 64 64 VAL N N 42 118.186 118.186 115.462 2.724 17995
3482 1 8 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.330 -0.337 17995
3483 1 8 . 1 1 64 64 VAL C C 42 177.327 177.327 177.415 -0.088 17995
3484 1 8 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.792 1.520 17995
3485 1 8 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.324 -0.132 17995
3486 1 8 . 1 1 64 64 VAL H H 42 8.019 8.019 7.525 0.494 17995
3487 1 8 . 1 1 65 65 VAL N N 43 118.361 118.361 120.907 -2.546 17995
3488 1 8 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.425 0.139 17995
3489 1 8 . 1 1 65 65 VAL C C 43 178.520 178.520 178.136 0.384 17995
3490 1 8 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.444 0.113 17995
3491 1 8 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.126 0.374 17995
3492 1 8 . 1 1 65 65 VAL H H 43 6.942 6.942 7.407 -0.465 17995
3493 1 8 . 1 1 66 66 ASN N N 44 119.476 119.476 118.604 0.872 17995
3494 1 8 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.457 0.105 17995
3495 1 8 . 1 1 66 66 ASN C C 44 178.760 178.760 178.068 0.692 17995
3496 1 8 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.726 -0.890 17995
3497 1 8 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.627 -0.820 17995
3498 1 8 . 1 1 66 66 ASN H H 44 7.789 7.789 7.996 -0.207 17995
3499 1 8 . 1 1 67 67 VAL N N 45 124.029 124.029 115.984 8.045 17995
3500 1 8 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.987 -0.369 17995
3501 1 8 . 1 1 67 67 VAL C C 45 177.100 177.100 178.058 -0.958 17995
3502 1 8 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.639 1.727 17995
3503 1 8 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.565 -0.105 17995
3504 1 8 . 1 1 67 67 VAL H H 45 9.055 9.055 7.697 1.358 17995
3505 1 8 . 1 1 68 68 ILE N N 46 121.006 121.006 122.713 -1.707 17995
3506 1 8 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.845 -0.057 17995
3507 1 8 . 1 1 68 68 ILE C C 46 177.871 177.871 177.997 -0.126 17995
3508 1 8 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.875 -0.613 17995
3509 1 8 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.599 -1.431 17995
3510 1 8 . 1 1 68 68 ILE H H 46 8.509 8.509 7.969 0.540 17995
3511 1 8 . 1 1 69 69 THR N N 47 116.096 116.096 116.610 -0.514 17995
3512 1 8 . 1 1 69 69 THR HA H 47 4.391 4.391 4.177 0.214 17995
3513 1 8 . 1 1 69 69 THR C C 47 176.365 176.365 176.789 -0.424 17995
3514 1 8 . 1 1 69 69 THR CA C 47 66.256 66.256 66.651 -0.396 17995
3515 1 8 . 1 1 69 69 THR CB C 47 69.098 69.098 68.792 0.306 17995
3516 1 8 . 1 1 69 69 THR H H 47 8.512 8.512 7.805 0.707 17995
3517 1 8 . 1 1 70 70 ALA N N 48 123.948 123.948 124.375 -0.427 17995
3518 1 8 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.185 0.118 17995
3519 1 8 . 1 1 70 70 ALA C C 48 181.452 181.452 179.610 1.842 17995
3520 1 8 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.413 -0.230 17995
3521 1 8 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995
3522 1 8 . 1 1 70 70 ALA H H 48 7.802 7.802 8.136 -0.334 17995
3523 1 8 . 1 1 71 71 LEU N N 49 121.199 121.199 119.111 2.088 17995
3524 1 8 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.175 0.048 17995
3525 1 8 . 1 1 71 71 LEU C C 49 178.192 178.192 179.499 -1.307 17995
3526 1 8 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.425 0.136 17995
3527 1 8 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.103 1.348 17995
3528 1 8 . 1 1 71 71 LEU H H 49 8.802 8.802 8.218 0.584 17995
3529 1 8 . 1 1 72 72 GLU N N 50 119.782 119.782 118.838 0.944 17995
3530 1 8 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.119 -0.629 17995
3531 1 8 . 1 1 72 72 GLU C C 50 180.303 180.303 179.309 0.994 17995
3532 1 8 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.803 0.048 17995
3533 1 8 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.521 1.587 17995
3534 1 8 . 1 1 72 72 GLU H H 50 8.762 8.762 8.206 0.556 17995
3535 1 8 . 1 1 73 73 GLU N N 51 116.902 116.902 119.562 -2.660 17995
3536 1 8 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.036 0.016 17995
3537 1 8 . 1 1 73 73 GLU C C 51 178.334 178.334 179.096 -0.762 17995
3538 1 8 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.627 -0.009 17995
3539 1 8 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.326 0.756 17995
3540 1 8 . 1 1 73 73 GLU H H 51 7.953 7.953 7.927 0.026 17995
3541 1 8 . 1 1 74 74 TYR N N 52 119.999 119.999 117.880 2.119 17995
3542 1 8 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.217 -0.335 17995
3543 1 8 . 1 1 74 74 TYR C C 52 177.384 177.384 177.963 -0.579 17995
3544 1 8 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.999 0.601 17995
3545 1 8 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.517 1.128 17995
3546 1 8 . 1 1 74 74 TYR H H 52 8.078 8.078 7.994 0.084 17995
3547 1 8 . 1 1 75 75 PHE N N 53 113.650 113.650 115.432 -1.782 17995
3548 1 8 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.246 -0.060 17995
3549 1 8 . 1 1 75 75 PHE C C 53 174.485 174.485 175.172 -0.687 17995
3550 1 8 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.300 -0.056 17995
3551 1 8 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.738 1.302 17995
3552 1 8 . 1 1 75 75 PHE H H 53 8.244 8.244 7.742 0.502 17995
3553 1 8 . 1 1 76 76 ASP N N 54 119.712 119.712 116.338 3.374 17995
3554 1 8 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.341 0.039 17995
3555 1 8 . 1 1 76 76 ASP C C 54 174.118 174.118 175.302 -1.184 17995
3556 1 8 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.445 -0.582 17995
3557 1 8 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.023 0.133 17995
3558 1 8 . 1 1 76 76 ASP H H 54 7.596 7.596 7.698 -0.102 17995
3559 1 8 . 1 1 77 77 PHE N N 55 113.804 113.804 117.073 -3.269 17995
3560 1 8 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.022 0.053 17995
3561 1 8 . 1 1 77 77 PHE C C 55 174.384 174.384 174.280 0.104 17995
3562 1 8 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.268 -0.832 17995
3563 1 8 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.223 0.407 17995
3564 1 8 . 1 1 77 77 PHE H H 55 7.725 7.725 7.697 0.028 17995
3565 1 8 . 1 1 78 78 SER N N 56 114.319 114.319 116.146 -1.827 17995
3566 1 8 . 1 1 78 78 SER HA H 56 5.149 5.149 5.025 0.124 17995
3567 1 8 . 1 1 78 78 SER C C 56 174.100 174.100 173.189 0.911 17995
3568 1 8 . 1 1 78 78 SER CA C 56 56.800 56.800 57.010 -0.209 17995
3569 1 8 . 1 1 78 78 SER CB C 56 65.011 65.011 64.235 0.776 17995
3570 1 8 . 1 1 78 78 SER H H 56 8.727 8.727 8.466 0.261 17995
3571 1 8 . 1 1 79 79 VAL N N 57 128.316 128.316 129.348 -1.032 17995
3572 1 8 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.943 0.301 17995
3573 1 8 . 1 1 79 79 VAL C C 57 175.637 175.637 175.770 -0.133 17995
3574 1 8 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.738 -0.984 17995
3575 1 8 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.907 0.966 17995
3576 1 8 . 1 1 79 79 VAL H H 57 10.222 10.222 8.610 1.612 17995
3577 1 8 . 1 1 80 80 ASP N N 58 130.058 130.058 127.126 2.932 17995
3578 1 8 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.527 0.319 17995
3579 1 8 . 1 1 80 80 ASP C C 58 177.205 177.205 177.172 0.033 17995
3580 1 8 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.637 -1.161 17995
3581 1 8 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.953 -0.287 17995
3582 1 8 . 1 1 80 80 ASP H H 58 9.396 9.396 7.972 1.424 17995
3583 1 8 . 1 1 81 81 ASP N N 59 122.564 122.564 124.691 -2.127 17995
3584 1 8 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.346 -0.066 17995
3585 1 8 . 1 1 81 81 ASP C C 59 177.291 177.291 178.075 -0.784 17995
3586 1 8 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.223 0.237 17995
3587 1 8 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.052 -0.322 17995
3588 1 8 . 1 1 81 81 ASP H H 59 8.696 8.696 8.784 -0.088 17995
3589 1 8 . 1 1 82 82 ASP N N 60 115.817 115.817 118.877 -3.060 17995
3590 1 8 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.505 0.054 17995
3591 1 8 . 1 1 82 82 ASP C C 60 176.939 176.939 177.483 -0.544 17995
3592 1 8 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.342 -1.481 17995
3593 1 8 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.133 -0.718 17995
3594 1 8 . 1 1 82 82 ASP H H 60 8.460 8.460 8.147 0.313 17995
3595 1 8 . 1 1 83 83 GLU N N 61 118.478 118.478 116.341 2.137 17995
3596 1 8 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.478 -0.177 17995
3597 1 8 . 1 1 83 83 GLU C C 61 175.841 175.841 176.830 -0.989 17995
3598 1 8 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.044 1.260 17995
3599 1 8 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.280 1.211 17995
3600 1 8 . 1 1 83 83 GLU H H 61 7.903 7.903 7.819 0.084 17995
3601 1 8 . 1 1 84 84 ILE N N 62 117.759 117.759 123.073 -5.314 17995
3602 1 8 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.958 0.207 17995
3603 1 8 . 1 1 84 84 ILE C C 62 174.069 174.069 174.946 -0.877 17995
3604 1 8 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.633 -2.139 17995
3605 1 8 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.123 2.012 17995
3606 1 8 . 1 1 84 84 ILE H H 62 7.396 7.396 7.365 0.031 17995
3607 1 8 . 1 1 85 85 SER N N 63 119.980 119.980 121.608 -1.628 17995
3608 1 8 . 1 1 85 85 SER HA H 63 4.789 4.789 4.764 0.025 17995
3609 1 8 . 1 1 85 85 SER CA C 63 56.772 56.772 56.366 0.406 17995
3610 1 8 . 1 1 85 85 SER CB C 63 66.916 66.916 66.188 0.728 17995
3611 1 8 . 1 1 85 85 SER H H 63 8.384 8.384 8.188 0.196 17995
3612 1 8 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.321 -0.294 17995
3613 1 8 . 1 1 86 86 ALA C C 64 180.211 180.211 179.642 0.569 17995
3614 1 8 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.582 0.919 17995
3615 1 8 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.755 -0.745 17995
3616 1 8 . 1 1 87 87 GLN N N 65 116.123 116.123 115.853 0.270 17995
3617 1 8 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.119 -0.054 17995
3618 1 8 . 1 1 87 87 GLN C C 65 178.564 178.564 177.245 1.319 17995
3619 1 8 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.533 1.206 17995
3620 1 8 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.999 0.444 17995
3621 1 8 . 1 1 87 87 GLN H H 65 7.990 7.990 7.774 0.216 17995
3622 1 8 . 1 1 88 88 THR N N 66 119.153 119.153 114.482 4.671 17995
3623 1 8 . 1 1 88 88 THR HA H 66 3.631 3.631 3.717 -0.086 17995
3624 1 8 . 1 1 88 88 THR C C 66 174.748 174.748 174.650 0.098 17995
3625 1 8 . 1 1 88 88 THR CA C 66 66.591 66.591 65.385 1.206 17995
3626 1 8 . 1 1 88 88 THR CB C 66 68.702 68.702 68.315 0.387 17995
3627 1 8 . 1 1 88 88 THR H H 66 7.738 7.738 7.280 0.458 17995
3628 1 8 . 1 1 89 89 PHE N N 67 115.088 115.088 117.508 -2.420 17995
3629 1 8 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.671 -0.434 17995
3630 1 8 . 1 1 89 89 PHE C C 67 173.600 173.600 176.458 -2.858 17995
3631 1 8 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.166 0.355 17995
3632 1 8 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.373 0.333 17995
3633 1 8 . 1 1 89 89 PHE H H 67 7.180 7.180 7.397 -0.217 17995
3634 1 8 . 1 1 90 90 GLU N N 68 122.222 122.222 120.556 1.666 17995
3635 1 8 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995
3636 1 8 . 1 1 90 90 GLU C C 68 178.581 178.581 176.620 1.961 17995
3637 1 8 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.475 1.251 17995
3638 1 8 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.803 0.945 17995
3639 1 8 . 1 1 90 90 GLU H H 68 7.421 7.421 7.784 -0.363 17995
3640 1 8 . 1 1 91 91 THR N N 69 106.383 106.383 110.815 -4.432 17995
3641 1 8 . 1 1 91 91 THR HA H 69 5.477 5.477 4.649 0.828 17995
3642 1 8 . 1 1 91 91 THR C C 69 174.775 174.775 173.710 1.065 17995
3643 1 8 . 1 1 91 91 THR CA C 69 58.798 58.798 59.473 -0.675 17995
3644 1 8 . 1 1 91 91 THR CB C 69 74.841 74.841 71.213 3.628 17995
3645 1 8 . 1 1 91 91 THR H H 69 8.534 8.534 7.248 1.286 17995
3646 1 8 . 1 1 92 92 LEU N N 70 120.326 120.326 123.338 -3.012 17995
3647 1 8 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.161 -0.018 17995
3648 1 8 . 1 1 92 92 LEU C C 70 178.174 178.174 177.637 0.537 17995
3649 1 8 . 1 1 92 92 LEU CA C 70 58.266 58.266 56.911 1.355 17995
3650 1 8 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.344 -1.474 17995
3651 1 8 . 1 1 92 92 LEU H H 70 7.991 7.991 8.209 -0.218 17995
3652 1 8 . 1 1 93 93 GLY N N 71 106.588 106.588 104.937 1.651 17995
3653 1 8 . 1 1 93 93 GLY C C 71 175.300 175.300 176.141 -0.841 17995
3654 1 8 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.422 -0.085 17995
3655 1 8 . 1 1 93 93 GLY H H 71 9.019 9.019 8.018 1.001 17995
3656 1 8 . 1 1 94 94 SER N N 72 120.200 120.200 118.138 2.062 17995
3657 1 8 . 1 1 94 94 SER HA H 72 4.090 4.090 4.246 -0.156 17995
3658 1 8 . 1 1 94 94 SER C C 72 177.631 177.631 176.221 1.410 17995
3659 1 8 . 1 1 94 94 SER CA C 72 62.329 62.329 61.851 0.478 17995
3660 1 8 . 1 1 94 94 SER H H 72 8.709 8.709 7.350 1.359 17995
3661 1 8 . 1 1 95 95 LEU N N 73 129.169 129.169 121.960 7.209 17995
3662 1 8 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.875 0.365 17995
3663 1 8 . 1 1 95 95 LEU C C 73 176.439 176.439 179.123 -2.684 17995
3664 1 8 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.903 0.899 17995
3665 1 8 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.038 1.821 17995
3666 1 8 . 1 1 95 95 LEU H H 73 7.800 7.800 7.355 0.445 17995
3667 1 8 . 1 1 96 96 ALA N N 74 121.721 121.721 122.151 -0.430 17995
3668 1 8 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.966 0.023 17995
3669 1 8 . 1 1 96 96 ALA C C 74 180.456 180.456 179.541 0.915 17995
3670 1 8 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.316 0.386 17995
3671 1 8 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.328 -0.612 17995
3672 1 8 . 1 1 96 96 ALA H H 74 8.612 8.612 8.295 0.317 17995
3673 1 8 . 1 1 97 97 LEU N N 75 122.095 122.095 119.555 2.540 17995
3674 1 8 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.903 0.154 17995
3675 1 8 . 1 1 97 97 LEU C C 75 178.805 178.805 179.008 -0.203 17995
3676 1 8 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.708 0.061 17995
3677 1 8 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.575 1.246 17995
3678 1 8 . 1 1 97 97 LEU H H 75 8.777 8.777 7.716 1.061 17995
3679 1 8 . 1 1 98 98 PHE N N 76 122.741 122.741 117.771 4.970 17995
3680 1 8 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.889 0.373 17995
3681 1 8 . 1 1 98 98 PHE C C 76 176.878 176.878 178.450 -1.572 17995
3682 1 8 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.348 -1.116 17995
3683 1 8 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.612 -0.063 17995
3684 1 8 . 1 1 98 98 PHE H H 76 7.889 7.889 8.111 -0.222 17995
3685 1 8 . 1 1 99 99 VAL N N 77 119.641 119.641 115.164 4.477 17995
3686 1 8 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.569 -0.791 17995
3687 1 8 . 1 1 99 99 VAL C C 77 176.414 176.414 177.709 -1.295 17995
3688 1 8 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.297 0.671 17995
3689 1 8 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.259 -0.073 17995
3690 1 8 . 1 1 99 99 VAL H H 77 7.599 7.599 8.358 -0.759 17995
3691 1 8 . 1 1 100 100 GLU N N 78 118.850 118.850 121.651 -2.801 17995
3692 1 8 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.117 -0.344 17995
3693 1 8 . 1 1 100 100 GLU C C 78 179.007 179.007 179.392 -0.385 17995
3694 1 8 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.602 -0.062 17995
3695 1 8 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.055 0.723 17995
3696 1 8 . 1 1 100 100 GLU H H 78 7.740 7.740 8.046 -0.306 17995
3697 1 8 . 1 1 101 101 HIS N N 79 120.328 120.328 117.313 3.015 17995
3698 1 8 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.372 -0.171 17995
3699 1 8 . 1 1 101 101 HIS C C 79 178.242 178.242 177.702 0.540 17995
3700 1 8 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.451 0.787 17995
3701 1 8 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.797 0.141 17995
3702 1 8 . 1 1 101 101 HIS H H 79 8.354 8.354 7.844 0.510 17995
3703 1 8 . 1 1 102 102 LYS N N 80 121.044 121.044 119.913 1.131 17995
3704 1 8 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.173 -0.606 17995
3705 1 8 . 1 1 102 102 LYS C C 80 179.199 179.199 178.420 0.779 17995
3706 1 8 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.280 -1.293 17995
3707 1 8 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.997 -1.821 17995
3708 1 8 . 1 1 102 102 LYS H H 80 7.908 7.908 7.740 0.168 17995
3709 1 8 . 1 1 103 103 LEU N N 81 118.698 118.698 119.721 -1.023 17995
3710 1 8 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.447 -0.289 17995
3711 1 8 . 1 1 103 103 LEU C C 81 178.593 178.593 178.994 -0.401 17995
3712 1 8 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.970 0.426 17995
3713 1 8 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.994 1.315 17995
3714 1 8 . 1 1 103 103 LEU H H 81 7.784 7.784 8.112 -0.328 17995
3715 1 8 . 1 1 104 104 SER N N 82 114.826 114.826 113.956 0.870 17995
3716 1 8 . 1 1 104 104 SER HA H 82 4.358 4.358 4.402 -0.044 17995
3717 1 8 . 1 1 104 104 SER C C 82 174.810 174.810 174.873 -0.063 17995
3718 1 8 . 1 1 104 104 SER CA C 82 59.567 59.567 60.260 -0.693 17995
3719 1 8 . 1 1 104 104 SER CB C 82 63.859 63.859 63.935 -0.076 17995
3720 1 8 . 1 1 104 104 SER H H 82 7.738 7.738 7.968 -0.230 17995
3721 1 9 . 1 1 24 24 GLN N N 2 121.730 121.730 118.643 3.087 17995
3722 1 9 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.410 -0.448 17995
3723 1 9 . 1 1 24 24 GLN C C 2 177.291 177.291 177.893 -0.602 17995
3724 1 9 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.059 1.332 17995
3725 1 9 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.421 -0.711 17995
3726 1 9 . 1 1 24 24 GLN H H 2 8.511 8.511 8.820 -0.309 17995
3727 1 9 . 1 1 25 25 HIS N N 3 116.878 116.878 120.745 -3.867 17995
3728 1 9 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.713 0.390 17995
3729 1 9 . 1 1 25 25 HIS C C 3 175.501 175.501 177.369 -1.868 17995
3730 1 9 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.827 -2.479 17995
3731 1 9 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.378 0.249 17995
3732 1 9 . 1 1 25 25 HIS H H 3 8.216 8.216 8.519 -0.303 17995
3733 1 9 . 1 1 26 26 LEU N N 4 121.540 121.540 118.741 2.799 17995
3734 1 9 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.117 -0.424 17995
3735 1 9 . 1 1 26 26 LEU C C 4 177.649 177.649 178.240 -0.591 17995
3736 1 9 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.000 1.703 17995
3737 1 9 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.180 1.155 17995
3738 1 9 . 1 1 26 26 LEU H H 4 7.447 7.447 8.184 -0.737 17995
3739 1 9 . 1 1 27 27 GLU N N 5 118.441 118.441 120.646 -2.205 17995
3740 1 9 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.890 0.001 17995
3741 1 9 . 1 1 27 27 GLU C C 5 178.162 178.162 178.220 -0.058 17995
3742 1 9 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.369 0.253 17995
3743 1 9 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.030 0.047 17995
3744 1 9 . 1 1 27 27 GLU H H 5 8.561 8.561 7.836 0.725 17995
3745 1 9 . 1 1 28 28 ALA N N 6 122.005 122.005 120.699 1.306 17995
3746 1 9 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.207 -0.075 17995
3747 1 9 . 1 1 28 28 ALA C C 6 180.421 180.421 180.123 0.298 17995
3748 1 9 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.734 0.545 17995
3749 1 9 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.112 0.654 17995
3750 1 9 . 1 1 28 28 ALA H H 6 8.205 8.205 7.660 0.545 17995
3751 1 9 . 1 1 29 29 VAL N N 7 116.985 116.985 119.848 -2.863 17995
3752 1 9 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.673 -0.164 17995
3753 1 9 . 1 1 29 29 VAL C C 7 177.034 177.034 177.578 -0.544 17995
3754 1 9 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.715 -0.352 17995
3755 1 9 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.659 -0.220 17995
3756 1 9 . 1 1 29 29 VAL H H 7 8.392 8.392 7.904 0.488 17995
3757 1 9 . 1 1 30 30 ARG N N 8 121.674 121.674 118.677 2.997 17995
3758 1 9 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.067 -0.403 17995
3759 1 9 . 1 1 30 30 ARG C C 8 177.810 177.810 179.050 -1.240 17995
3760 1 9 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.062 1.463 17995
3761 1 9 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.401 1.265 17995
3762 1 9 . 1 1 30 30 ARG H H 8 8.784 8.784 8.367 0.417 17995
3763 1 9 . 1 1 31 31 ASN N N 9 118.102 118.102 119.109 -1.007 17995
3764 1 9 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.518 -0.234 17995
3765 1 9 . 1 1 31 31 ASN C C 9 177.890 177.890 176.935 0.955 17995
3766 1 9 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.376 -0.122 17995
3767 1 9 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.524 -0.936 17995
3768 1 9 . 1 1 31 31 ASN H H 9 8.144 8.144 7.981 0.163 17995
3769 1 9 . 1 1 32 32 ILE N N 10 123.614 123.614 120.398 3.216 17995
3770 1 9 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.308 0.483 17995
3771 1 9 . 1 1 32 32 ILE C C 10 177.810 177.810 177.725 0.085 17995
3772 1 9 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.233 0.026 17995
3773 1 9 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.727 1.007 17995
3774 1 9 . 1 1 32 32 ILE H H 10 8.137 8.137 7.623 0.514 17995
3775 1 9 . 1 1 33 33 LEU N N 11 119.797 119.797 119.131 0.666 17995
3776 1 9 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.052 -0.266 17995
3777 1 9 . 1 1 33 33 LEU C C 11 179.039 179.039 179.408 -0.369 17995
3778 1 9 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.551 0.159 17995
3779 1 9 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.091 0.985 17995
3780 1 9 . 1 1 33 33 LEU H H 11 8.637 8.637 8.142 0.495 17995
3781 1 9 . 1 1 34 34 GLY N N 12 103.682 103.682 106.613 -2.931 17995
3782 1 9 . 1 1 34 34 GLY C C 12 175.242 175.242 175.933 -0.691 17995
3783 1 9 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.131 0.587 17995
3784 1 9 . 1 1 34 34 GLY H H 12 8.513 8.513 8.107 0.406 17995
3785 1 9 . 1 1 35 35 ASP N N 13 122.235 122.235 122.043 0.192 17995
3786 1 9 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.541 0.044 17995
3787 1 9 . 1 1 35 35 ASP C C 13 179.013 179.013 178.191 0.822 17995
3788 1 9 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.763 0.153 17995
3789 1 9 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.211 -0.165 17995
3790 1 9 . 1 1 35 35 ASP H H 13 7.968 7.968 7.770 0.198 17995
3791 1 9 . 1 1 36 36 VAL N N 14 120.841 120.841 119.063 1.778 17995
3792 1 9 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.738 -0.061 17995
3793 1 9 . 1 1 36 36 VAL C C 14 177.797 177.797 177.756 0.041 17995
3794 1 9 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.536 0.468 17995
3795 1 9 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.108 0.124 17995
3796 1 9 . 1 1 36 36 VAL H H 14 8.765 8.765 8.068 0.697 17995
3797 1 9 . 1 1 37 37 LEU N N 15 114.630 114.630 114.845 -0.215 17995
3798 1 9 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.416 -0.135 17995
3799 1 9 . 1 1 37 37 LEU C C 15 175.483 175.483 176.476 -0.993 17995
3800 1 9 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.337 -0.167 17995
3801 1 9 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.759 -0.065 17995
3802 1 9 . 1 1 37 37 LEU H H 15 7.942 7.942 7.757 0.185 17995
3803 1 9 . 1 1 38 38 ASN N N 16 116.887 116.887 117.157 -0.270 17995
3804 1 9 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.496 0.038 17995
3805 1 9 . 1 1 38 38 ASN C C 16 175.668 175.668 175.118 0.550 17995
3806 1 9 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.793 0.127 17995
3807 1 9 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.431 -0.572 17995
3808 1 9 . 1 1 38 38 ASN H H 16 7.561 7.561 7.905 -0.344 17995
3809 1 9 . 1 1 39 39 LEU N N 17 114.676 114.676 118.717 -4.041 17995
3810 1 9 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.215 -0.144 17995
3811 1 9 . 1 1 39 39 LEU C C 17 178.415 178.415 178.105 0.310 17995
3812 1 9 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.997 -0.253 17995
3813 1 9 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.527 1.749 17995
3814 1 9 . 1 1 39 39 LEU H H 17 8.233 8.233 8.158 0.075 17995
3815 1 9 . 1 1 40 40 GLY N N 18 109.665 109.665 107.145 2.520 17995
3816 1 9 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.617 -0.312 17995
3817 1 9 . 1 1 40 40 GLY H H 18 8.678 8.678 8.060 0.618 17995
3818 1 9 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.363 -0.235 17995
3819 1 9 . 1 1 41 41 GLU C C 19 178.328 178.328 177.372 0.956 17995
3820 1 9 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.467 1.797 17995
3821 1 9 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.985 -0.905 17995
3822 1 9 . 1 1 42 42 ARG N N 20 118.936 118.936 121.625 -2.689 17995
3823 1 9 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.177 -0.002 17995
3824 1 9 . 1 1 42 42 ARG C C 20 178.912 178.912 177.755 1.157 17995
3825 1 9 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.450 -0.213 17995
3826 1 9 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.491 -0.435 17995
3827 1 9 . 1 1 42 42 ARG H H 20 7.979 7.979 7.856 0.123 17995
3828 1 9 . 1 1 43 43 LYS N N 21 119.087 119.087 114.179 4.908 17995
3829 1 9 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.116 -0.368 17995
3830 1 9 . 1 1 43 43 LYS C C 21 176.559 176.559 177.405 -0.846 17995
3831 1 9 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.446 0.652 17995
3832 1 9 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.282 0.699 17995
3833 1 9 . 1 1 43 43 LYS H H 21 7.719 7.719 8.381 -0.662 17995
3834 1 9 . 1 1 44 44 HIS N N 22 115.571 115.571 117.348 -1.777 17995
3835 1 9 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.532 -0.104 17995
3836 1 9 . 1 1 44 44 HIS C C 22 176.288 176.288 176.268 0.020 17995
3837 1 9 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.394 -0.610 17995
3838 1 9 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.156 0.314 17995
3839 1 9 . 1 1 44 44 HIS H H 22 7.124 7.124 7.649 -0.525 17995
3840 1 9 . 1 1 45 45 THR N N 23 107.890 107.890 112.771 -4.881 17995
3841 1 9 . 1 1 45 45 THR HA H 23 4.355 4.355 4.199 0.156 17995
3842 1 9 . 1 1 45 45 THR C C 23 174.650 174.650 175.162 -0.512 17995
3843 1 9 . 1 1 45 45 THR CA C 23 61.627 61.627 63.504 -1.877 17995
3844 1 9 . 1 1 45 45 THR CB C 23 69.475 69.475 69.348 0.127 17995
3845 1 9 . 1 1 45 45 THR H H 23 7.441 7.441 7.613 -0.172 17995
3846 1 9 . 1 1 46 46 LEU N N 24 121.435 121.435 120.769 0.666 17995
3847 1 9 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.626 -0.003 17995
3848 1 9 . 1 1 46 46 LEU C C 24 176.537 176.537 175.554 0.983 17995
3849 1 9 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.379 0.211 17995
3850 1 9 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.936 0.181 17995
3851 1 9 . 1 1 46 46 LEU H H 24 7.059 7.059 7.379 -0.320 17995
3852 1 9 . 1 1 47 47 THR N N 25 116.104 116.104 111.616 4.488 17995
3853 1 9 . 1 1 47 47 THR HA H 25 4.605 4.605 4.455 0.150 17995
3854 1 9 . 1 1 47 47 THR C C 25 175.526 175.526 175.537 -0.011 17995
3855 1 9 . 1 1 47 47 THR CA C 25 59.878 59.878 59.810 0.068 17995
3856 1 9 . 1 1 47 47 THR CB C 25 71.752 71.752 70.887 0.865 17995
3857 1 9 . 1 1 47 47 THR H H 25 9.432 9.432 7.646 1.786 17995
3858 1 9 . 1 1 48 48 ALA N N 26 122.234 122.234 121.764 0.470 17995
3859 1 9 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.139 -0.330 17995
3860 1 9 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.069 0.524 17995
3861 1 9 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.600 0.054 17995
3862 1 9 . 1 1 48 48 ALA H H 26 9.142 9.142 8.615 0.527 17995
3863 1 9 . 1 1 49 49 SER HA H 27 4.448 4.448 4.412 0.036 17995
3864 1 9 . 1 1 49 49 SER C C 27 174.637 174.637 174.133 0.504 17995
3865 1 9 . 1 1 49 49 SER CA C 27 58.348 58.348 58.839 -0.491 17995
3866 1 9 . 1 1 49 49 SER CB C 27 63.704 63.704 63.051 0.653 17995
3867 1 9 . 1 1 50 50 SER N N 28 122.032 122.032 116.918 5.114 17995
3868 1 9 . 1 1 50 50 SER HA H 28 4.269 4.269 4.574 -0.305 17995
3869 1 9 . 1 1 50 50 SER C C 28 172.904 172.904 173.220 -0.316 17995
3870 1 9 . 1 1 50 50 SER CA C 28 60.846 60.846 57.122 3.724 17995
3871 1 9 . 1 1 50 50 SER CB C 28 63.063 63.063 64.713 -1.650 17995
3872 1 9 . 1 1 50 50 SER H H 28 8.157 8.157 7.361 0.796 17995
3873 1 9 . 1 1 51 51 VAL N N 29 127.079 127.079 125.672 1.407 17995
3874 1 9 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.228 0.114 17995
3875 1 9 . 1 1 51 51 VAL C C 29 176.612 176.612 175.805 0.807 17995
3876 1 9 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.200 -0.752 17995
3877 1 9 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.642 -0.417 17995
3878 1 9 . 1 1 51 51 VAL H H 29 8.505 8.505 8.582 -0.077 17995
3879 1 9 . 1 1 52 52 LEU N N 30 126.014 126.014 123.682 2.332 17995
3880 1 9 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.627 0.168 17995
3881 1 9 . 1 1 52 52 LEU C C 30 176.569 176.569 177.208 -0.639 17995
3882 1 9 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.347 -0.815 17995
3883 1 9 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.079 -2.075 17995
3884 1 9 . 1 1 52 52 LEU H H 30 7.954 7.954 7.954 -0.000 17995
3885 1 9 . 1 1 53 53 LEU N N 31 122.601 122.601 119.705 2.896 17995
3886 1 9 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.874 0.212 17995
3887 1 9 . 1 1 53 53 LEU C C 31 177.683 177.683 178.193 -0.510 17995
3888 1 9 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.647 0.727 17995
3889 1 9 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.120 0.699 17995
3890 1 9 . 1 1 53 53 LEU H H 31 7.777 7.777 7.668 0.109 17995
3891 1 9 . 1 1 54 54 GLY N N 32 114.941 114.941 113.995 0.946 17995
3892 1 9 . 1 1 54 54 GLY C C 32 173.612 173.612 174.576 -0.964 17995
3893 1 9 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.835 -0.277 17995
3894 1 9 . 1 1 54 54 GLY H H 32 9.121 9.121 8.885 0.236 17995
3895 1 9 . 1 1 55 55 ASN N N 33 117.901 117.901 120.015 -2.114 17995
3896 1 9 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.709 0.221 17995
3897 1 9 . 1 1 55 55 ASN C C 33 174.458 174.458 175.995 -1.537 17995
3898 1 9 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.711 -0.892 17995
3899 1 9 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.115 2.432 17995
3900 1 9 . 1 1 55 55 ASN H H 33 7.789 7.789 7.808 -0.019 17995
3901 1 9 . 1 1 56 56 ILE N N 34 120.163 120.163 121.746 -1.583 17995
3902 1 9 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.458 0.079 17995
3903 1 9 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.761 0.240 17995
3904 1 9 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.275 1.818 17995
3905 1 9 . 1 1 56 56 ILE H H 34 7.703 7.703 7.820 -0.117 17995
3906 1 9 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.417 -0.244 17995
3907 1 9 . 1 1 57 57 PRO C C 35 177.969 177.969 176.824 1.145 17995
3908 1 9 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.336 0.940 17995
3909 1 9 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.076 -0.142 17995
3910 1 9 . 1 1 58 58 GLU N N 36 116.701 116.701 116.555 0.146 17995
3911 1 9 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995
3912 1 9 . 1 1 58 58 GLU C C 36 176.612 176.612 175.898 0.714 17995
3913 1 9 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.988 3.359 17995
3914 1 9 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.738 0.094 17995
3915 1 9 . 1 1 58 58 GLU H H 36 9.581 9.581 8.603 0.978 17995
3916 1 9 . 1 1 59 59 LEU N N 37 121.189 121.189 123.762 -2.573 17995
3917 1 9 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.365 -0.053 17995
3918 1 9 . 1 1 59 59 LEU C C 37 173.353 173.353 175.514 -2.161 17995
3919 1 9 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.709 -1.431 17995
3920 1 9 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.200 0.799 17995
3921 1 9 . 1 1 59 59 LEU H H 37 7.560 7.560 7.302 0.258 17995
3922 1 9 . 1 1 60 60 ASP N N 38 126.468 126.468 123.793 2.675 17995
3923 1 9 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.775 -0.060 17995
3924 1 9 . 1 1 60 60 ASP C C 38 175.828 175.828 176.737 -0.909 17995
3925 1 9 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.530 -1.610 17995
3926 1 9 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.220 -2.664 17995
3927 1 9 . 1 1 60 60 ASP H H 38 7.527 7.527 7.849 -0.322 17995
3928 1 9 . 1 1 61 61 SER N N 39 113.128 113.128 115.423 -2.295 17995
3929 1 9 . 1 1 61 61 SER HA H 39 4.019 4.019 4.228 -0.209 17995
3930 1 9 . 1 1 61 61 SER C C 39 175.854 175.854 176.800 -0.946 17995
3931 1 9 . 1 1 61 61 SER CA C 39 61.276 61.276 61.632 -0.355 17995
3932 1 9 . 1 1 61 61 SER CB C 39 65.520 65.520 62.867 2.653 17995
3933 1 9 . 1 1 61 61 SER H H 39 8.623 8.623 8.512 0.111 17995
3934 1 9 . 1 1 62 62 MET N N 40 121.706 121.706 120.448 1.258 17995
3935 1 9 . 1 1 62 62 MET HA H 40 4.303 4.303 4.262 0.041 17995
3936 1 9 . 1 1 62 62 MET C C 40 177.755 177.755 178.077 -0.322 17995
3937 1 9 . 1 1 62 62 MET CA C 40 57.714 57.714 57.413 0.301 17995
3938 1 9 . 1 1 62 62 MET CB C 40 32.386 32.386 31.315 1.071 17995
3939 1 9 . 1 1 62 62 MET H H 40 7.802 7.802 8.510 -0.708 17995
3940 1 9 . 1 1 63 63 ALA N N 41 124.277 124.277 122.401 1.876 17995
3941 1 9 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.093 0.078 17995
3942 1 9 . 1 1 63 63 ALA C C 41 179.893 179.893 179.624 0.269 17995
3943 1 9 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.795 0.306 17995
3944 1 9 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.659 1.997 17995
3945 1 9 . 1 1 63 63 ALA H H 41 8.295 8.295 7.933 0.362 17995
3946 1 9 . 1 1 64 64 VAL N N 42 118.186 118.186 115.420 2.766 17995
3947 1 9 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.247 -0.254 17995
3948 1 9 . 1 1 64 64 VAL C C 42 177.327 177.327 177.438 -0.111 17995
3949 1 9 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.810 1.502 17995
3950 1 9 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.294 -0.103 17995
3951 1 9 . 1 1 64 64 VAL H H 42 8.019 8.019 7.872 0.147 17995
3952 1 9 . 1 1 65 65 VAL N N 43 118.361 118.361 120.626 -2.265 17995
3953 1 9 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.498 0.066 17995
3954 1 9 . 1 1 65 65 VAL C C 43 178.520 178.520 178.105 0.415 17995
3955 1 9 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.325 0.232 17995
3956 1 9 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.149 0.351 17995
3957 1 9 . 1 1 65 65 VAL H H 43 6.942 6.942 7.273 -0.331 17995
3958 1 9 . 1 1 66 66 ASN N N 44 119.476 119.476 118.366 1.110 17995
3959 1 9 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.475 0.087 17995
3960 1 9 . 1 1 66 66 ASN C C 44 178.760 178.760 178.083 0.677 17995
3961 1 9 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.839 -1.003 17995
3962 1 9 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.851 -1.044 17995
3963 1 9 . 1 1 66 66 ASN H H 44 7.789 7.789 8.184 -0.395 17995
3964 1 9 . 1 1 67 67 VAL N N 45 124.029 124.029 116.501 7.528 17995
3965 1 9 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.861 -0.243 17995
3966 1 9 . 1 1 67 67 VAL C C 45 177.100 177.100 177.843 -0.743 17995
3967 1 9 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.826 1.540 17995
3968 1 9 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.554 -0.094 17995
3969 1 9 . 1 1 67 67 VAL H H 45 9.055 9.055 7.653 1.402 17995
3970 1 9 . 1 1 68 68 ILE N N 46 121.006 121.006 121.799 -0.793 17995
3971 1 9 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.780 0.008 17995
3972 1 9 . 1 1 68 68 ILE C C 46 177.871 177.871 178.185 -0.314 17995
3973 1 9 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.669 -0.407 17995
3974 1 9 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.532 -1.365 17995
3975 1 9 . 1 1 68 68 ILE H H 46 8.509 8.509 7.762 0.747 17995
3976 1 9 . 1 1 69 69 THR N N 47 116.096 116.096 115.887 0.209 17995
3977 1 9 . 1 1 69 69 THR HA H 47 4.391 4.391 4.011 0.380 17995
3978 1 9 . 1 1 69 69 THR C C 47 176.365 176.365 176.333 0.032 17995
3979 1 9 . 1 1 69 69 THR CA C 47 66.256 66.256 66.751 -0.495 17995
3980 1 9 . 1 1 69 69 THR CB C 47 69.098 69.098 68.373 0.725 17995
3981 1 9 . 1 1 69 69 THR H H 47 8.512 8.512 7.940 0.572 17995
3982 1 9 . 1 1 70 70 ALA N N 48 123.948 123.948 124.355 -0.407 17995
3983 1 9 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.311 -0.008 17995
3984 1 9 . 1 1 70 70 ALA C C 48 181.452 181.452 179.814 1.638 17995
3985 1 9 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.136 0.047 17995
3986 1 9 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.083 1.339 17995
3987 1 9 . 1 1 70 70 ALA H H 48 7.802 7.802 7.893 -0.091 17995
3988 1 9 . 1 1 71 71 LEU N N 49 121.199 121.199 119.695 1.504 17995
3989 1 9 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.055 0.168 17995
3990 1 9 . 1 1 71 71 LEU C C 49 178.192 178.192 179.464 -1.272 17995
3991 1 9 . 1 1 71 71 LEU CA C 49 58.561 58.561 57.997 0.564 17995
3992 1 9 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.860 1.591 17995
3993 1 9 . 1 1 71 71 LEU H H 49 8.802 8.802 8.321 0.481 17995
3994 1 9 . 1 1 72 72 GLU N N 50 119.782 119.782 118.655 1.127 17995
3995 1 9 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.244 -0.754 17995
3996 1 9 . 1 1 72 72 GLU C C 50 180.303 180.303 179.427 0.876 17995
3997 1 9 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.301 0.550 17995
3998 1 9 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.007 2.101 17995
3999 1 9 . 1 1 72 72 GLU H H 50 8.762 8.762 8.040 0.722 17995
4000 1 9 . 1 1 73 73 GLU N N 51 116.902 116.902 118.406 -1.504 17995
4001 1 9 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.161 -0.109 17995
4002 1 9 . 1 1 73 73 GLU C C 51 178.334 178.334 178.984 -0.650 17995
4003 1 9 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.653 -0.035 17995
4004 1 9 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.437 0.645 17995
4005 1 9 . 1 1 73 73 GLU H H 51 7.953 7.953 7.852 0.101 17995
4006 1 9 . 1 1 74 74 TYR N N 52 119.999 119.999 117.802 2.197 17995
4007 1 9 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.227 -0.345 17995
4008 1 9 . 1 1 74 74 TYR C C 52 177.384 177.384 177.628 -0.244 17995
4009 1 9 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.886 0.714 17995
4010 1 9 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.548 1.097 17995
4011 1 9 . 1 1 74 74 TYR H H 52 8.078 8.078 8.254 -0.176 17995
4012 1 9 . 1 1 75 75 PHE N N 53 113.650 113.650 116.340 -2.690 17995
4013 1 9 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.278 -0.092 17995
4014 1 9 . 1 1 75 75 PHE C C 53 174.485 174.485 175.444 -0.959 17995
4015 1 9 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.215 0.029 17995
4016 1 9 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.773 1.267 17995
4017 1 9 . 1 1 75 75 PHE H H 53 8.244 8.244 7.857 0.387 17995
4018 1 9 . 1 1 76 76 ASP N N 54 119.712 119.712 117.750 1.962 17995
4019 1 9 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.412 -0.032 17995
4020 1 9 . 1 1 76 76 ASP C C 54 174.118 174.118 175.016 -0.898 17995
4021 1 9 . 1 1 76 76 ASP CA C 54 54.863 54.863 54.805 0.058 17995
4022 1 9 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.683 -0.527 17995
4023 1 9 . 1 1 76 76 ASP H H 54 7.596 7.596 7.638 -0.042 17995
4024 1 9 . 1 1 77 77 PHE N N 55 113.804 113.804 117.364 -3.560 17995
4025 1 9 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.039 0.036 17995
4026 1 9 . 1 1 77 77 PHE C C 55 174.384 174.384 173.752 0.632 17995
4027 1 9 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.659 -1.223 17995
4028 1 9 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.245 0.385 17995
4029 1 9 . 1 1 77 77 PHE H H 55 7.725 7.725 7.764 -0.039 17995
4030 1 9 . 1 1 78 78 SER N N 56 114.319 114.319 116.337 -2.018 17995
4031 1 9 . 1 1 78 78 SER HA H 56 5.149 5.149 5.072 0.077 17995
4032 1 9 . 1 1 78 78 SER C C 56 174.100 174.100 173.219 0.881 17995
4033 1 9 . 1 1 78 78 SER CA C 56 56.800 56.800 57.617 -0.817 17995
4034 1 9 . 1 1 78 78 SER CB C 56 65.011 65.011 64.581 0.430 17995
4035 1 9 . 1 1 78 78 SER H H 56 8.727 8.727 8.403 0.324 17995
4036 1 9 . 1 1 79 79 VAL N N 57 128.316 128.316 128.132 0.184 17995
4037 1 9 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.731 0.513 17995
4038 1 9 . 1 1 79 79 VAL C C 57 175.637 175.637 175.259 0.378 17995
4039 1 9 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.637 -0.883 17995
4040 1 9 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.339 1.534 17995
4041 1 9 . 1 1 79 79 VAL H H 57 10.222 10.222 8.603 1.619 17995
4042 1 9 . 1 1 80 80 ASP N N 58 130.058 130.058 127.461 2.597 17995
4043 1 9 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.462 0.384 17995
4044 1 9 . 1 1 80 80 ASP C C 58 177.205 177.205 176.799 0.406 17995
4045 1 9 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.978 -1.502 17995
4046 1 9 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.479 -0.814 17995
4047 1 9 . 1 1 80 80 ASP H H 58 9.396 9.396 7.945 1.451 17995
4048 1 9 . 1 1 81 81 ASP N N 59 122.564 122.564 123.713 -1.149 17995
4049 1 9 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.388 -0.108 17995
4050 1 9 . 1 1 81 81 ASP C C 59 177.291 177.291 177.442 -0.151 17995
4051 1 9 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.664 0.796 17995
4052 1 9 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.024 -0.294 17995
4053 1 9 . 1 1 81 81 ASP H H 59 8.696 8.696 8.735 -0.039 17995
4054 1 9 . 1 1 82 82 ASP N N 60 115.817 115.817 118.610 -2.793 17995
4055 1 9 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.524 0.035 17995
4056 1 9 . 1 1 82 82 ASP C C 60 176.939 176.939 177.482 -0.543 17995
4057 1 9 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.188 -1.327 17995
4058 1 9 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.292 -0.877 17995
4059 1 9 . 1 1 82 82 ASP H H 60 8.460 8.460 8.091 0.369 17995
4060 1 9 . 1 1 83 83 GLU N N 61 118.478 118.478 116.960 1.518 17995
4061 1 9 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.451 -0.150 17995
4062 1 9 . 1 1 83 83 GLU C C 61 175.841 175.841 176.873 -1.032 17995
4063 1 9 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.691 0.612 17995
4064 1 9 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.528 0.963 17995
4065 1 9 . 1 1 83 83 GLU H H 61 7.903 7.903 7.647 0.256 17995
4066 1 9 . 1 1 84 84 ILE N N 62 117.759 117.759 122.051 -4.292 17995
4067 1 9 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.896 0.269 17995
4068 1 9 . 1 1 84 84 ILE C C 62 174.069 174.069 175.376 -1.307 17995
4069 1 9 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.662 -2.168 17995
4070 1 9 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.886 2.249 17995
4071 1 9 . 1 1 84 84 ILE H H 62 7.396 7.396 7.195 0.201 17995
4072 1 9 . 1 1 85 85 SER N N 63 119.980 119.980 123.055 -3.075 17995
4073 1 9 . 1 1 85 85 SER HA H 63 4.789 4.789 4.808 -0.019 17995
4074 1 9 . 1 1 85 85 SER CA C 63 56.772 56.772 56.477 0.295 17995
4075 1 9 . 1 1 85 85 SER CB C 63 66.916 66.916 66.092 0.824 17995
4076 1 9 . 1 1 85 85 SER H H 63 8.384 8.384 8.330 0.054 17995
4077 1 9 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.231 -0.204 17995
4078 1 9 . 1 1 86 86 ALA C C 64 180.211 180.211 179.452 0.759 17995
4079 1 9 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.712 0.789 17995
4080 1 9 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.198 -0.188 17995
4081 1 9 . 1 1 87 87 GLN N N 65 116.123 116.123 114.839 1.284 17995
4082 1 9 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.238 -0.173 17995
4083 1 9 . 1 1 87 87 GLN C C 65 178.564 178.564 176.939 1.625 17995
4084 1 9 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.776 0.963 17995
4085 1 9 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.500 0.943 17995
4086 1 9 . 1 1 87 87 GLN H H 65 7.990 7.990 8.578 -0.588 17995
4087 1 9 . 1 1 88 88 THR N N 66 119.153 119.153 114.522 4.631 17995
4088 1 9 . 1 1 88 88 THR HA H 66 3.631 3.631 4.092 -0.461 17995
4089 1 9 . 1 1 88 88 THR C C 66 174.748 174.748 174.905 -0.157 17995
4090 1 9 . 1 1 88 88 THR CA C 66 66.591 66.591 65.925 0.666 17995
4091 1 9 . 1 1 88 88 THR CB C 66 68.702 68.702 68.820 -0.118 17995
4092 1 9 . 1 1 88 88 THR H H 66 7.738 7.738 7.508 0.230 17995
4093 1 9 . 1 1 89 89 PHE N N 67 115.088 115.088 115.964 -0.876 17995
4094 1 9 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.764 -0.527 17995
4095 1 9 . 1 1 89 89 PHE C C 67 173.600 173.600 176.079 -2.479 17995
4096 1 9 . 1 1 89 89 PHE CA C 67 57.522 57.522 56.862 0.660 17995
4097 1 9 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.309 0.397 17995
4098 1 9 . 1 1 89 89 PHE H H 67 7.180 7.180 7.598 -0.418 17995
4099 1 9 . 1 1 90 90 GLU N N 68 122.222 122.222 119.448 2.774 17995
4100 1 9 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.091 0.076 17995
4101 1 9 . 1 1 90 90 GLU C C 68 178.581 178.581 176.734 1.847 17995
4102 1 9 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.122 1.604 17995
4103 1 9 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.781 0.967 17995
4104 1 9 . 1 1 90 90 GLU H H 68 7.421 7.421 8.114 -0.693 17995
4105 1 9 . 1 1 91 91 THR N N 69 106.383 106.383 110.997 -4.614 17995
4106 1 9 . 1 1 91 91 THR HA H 69 5.477 5.477 4.714 0.763 17995
4107 1 9 . 1 1 91 91 THR C C 69 174.775 174.775 173.789 0.986 17995
4108 1 9 . 1 1 91 91 THR CA C 69 58.798 58.798 59.507 -0.709 17995
4109 1 9 . 1 1 91 91 THR CB C 69 74.841 74.841 71.349 3.492 17995
4110 1 9 . 1 1 91 91 THR H H 69 8.534 8.534 7.196 1.338 17995
4111 1 9 . 1 1 92 92 LEU N N 70 120.326 120.326 123.651 -3.325 17995
4112 1 9 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.152 -0.009 17995
4113 1 9 . 1 1 92 92 LEU C C 70 178.174 178.174 177.771 0.403 17995
4114 1 9 . 1 1 92 92 LEU CA C 70 58.266 58.266 56.992 1.274 17995
4115 1 9 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.409 -1.539 17995
4116 1 9 . 1 1 92 92 LEU H H 70 7.991 7.991 8.611 -0.620 17995
4117 1 9 . 1 1 93 93 GLY N N 71 106.588 106.588 105.964 0.624 17995
4118 1 9 . 1 1 93 93 GLY C C 71 175.300 175.300 175.979 -0.679 17995
4119 1 9 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.528 -0.191 17995
4120 1 9 . 1 1 93 93 GLY H H 71 9.019 9.019 8.341 0.678 17995
4121 1 9 . 1 1 94 94 SER N N 72 120.200 120.200 118.614 1.586 17995
4122 1 9 . 1 1 94 94 SER HA H 72 4.090 4.090 4.233 -0.143 17995
4123 1 9 . 1 1 94 94 SER C C 72 177.631 177.631 176.777 0.854 17995
4124 1 9 . 1 1 94 94 SER CA C 72 62.329 62.329 62.129 0.200 17995
4125 1 9 . 1 1 94 94 SER H H 72 8.709 8.709 7.330 1.379 17995
4126 1 9 . 1 1 95 95 LEU N N 73 129.169 129.169 121.266 7.903 17995
4127 1 9 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.911 0.329 17995
4128 1 9 . 1 1 95 95 LEU C C 73 176.439 176.439 178.851 -2.412 17995
4129 1 9 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.226 0.576 17995
4130 1 9 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.194 1.665 17995
4131 1 9 . 1 1 95 95 LEU H H 73 7.800 7.800 7.398 0.402 17995
4132 1 9 . 1 1 96 96 ALA N N 74 121.721 121.721 122.350 -0.629 17995
4133 1 9 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.945 0.044 17995
4134 1 9 . 1 1 96 96 ALA C C 74 180.456 180.456 179.857 0.599 17995
4135 1 9 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.259 0.443 17995
4136 1 9 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.320 -0.604 17995
4137 1 9 . 1 1 96 96 ALA H H 74 8.612 8.612 8.095 0.517 17995
4138 1 9 . 1 1 97 97 LEU N N 75 122.095 122.095 118.746 3.349 17995
4139 1 9 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.842 0.215 17995
4140 1 9 . 1 1 97 97 LEU C C 75 178.805 178.805 179.059 -0.254 17995
4141 1 9 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.026 0.743 17995
4142 1 9 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.016 1.806 17995
4143 1 9 . 1 1 97 97 LEU H H 75 8.777 8.777 7.963 0.814 17995
4144 1 9 . 1 1 98 98 PHE N N 76 122.741 122.741 118.693 4.048 17995
4145 1 9 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.888 0.374 17995
4146 1 9 . 1 1 98 98 PHE C C 76 176.878 176.878 178.342 -1.464 17995
4147 1 9 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.601 -1.369 17995
4148 1 9 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.501 0.048 17995
4149 1 9 . 1 1 98 98 PHE H H 76 7.889 7.889 7.944 -0.055 17995
4150 1 9 . 1 1 99 99 VAL N N 77 119.641 119.641 114.564 5.077 17995
4151 1 9 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.478 -0.700 17995
4152 1 9 . 1 1 99 99 VAL C C 77 176.414 176.414 177.537 -1.123 17995
4153 1 9 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.776 1.192 17995
4154 1 9 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.177 0.009 17995
4155 1 9 . 1 1 99 99 VAL H H 77 7.599 7.599 8.279 -0.680 17995
4156 1 9 . 1 1 100 100 GLU N N 78 118.850 118.850 121.854 -3.004 17995
4157 1 9 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.235 -0.462 17995
4158 1 9 . 1 1 100 100 GLU C C 78 179.007 179.007 179.126 -0.119 17995
4159 1 9 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.329 0.211 17995
4160 1 9 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.124 0.654 17995
4161 1 9 . 1 1 100 100 GLU H H 78 7.740 7.740 8.250 -0.510 17995
4162 1 9 . 1 1 101 101 HIS N N 79 120.328 120.328 116.860 3.468 17995
4163 1 9 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.085 0.116 17995
4164 1 9 . 1 1 101 101 HIS C C 79 178.242 178.242 177.163 1.079 17995
4165 1 9 . 1 1 101 101 HIS CA C 79 59.238 59.238 57.813 1.425 17995
4166 1 9 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.759 0.179 17995
4167 1 9 . 1 1 101 101 HIS H H 79 8.354 8.354 7.739 0.615 17995
4168 1 9 . 1 1 102 102 LYS N N 80 121.044 121.044 119.383 1.661 17995
4169 1 9 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.004 -0.437 17995
4170 1 9 . 1 1 102 102 LYS C C 80 179.199 179.199 178.844 0.355 17995
4171 1 9 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.462 -1.476 17995
4172 1 9 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.795 -1.619 17995
4173 1 9 . 1 1 102 102 LYS H H 80 7.908 7.908 7.808 0.100 17995
4174 1 9 . 1 1 103 103 LEU N N 81 118.698 118.698 118.758 -0.060 17995
4175 1 9 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.442 -0.284 17995
4176 1 9 . 1 1 103 103 LEU C C 81 178.593 178.593 178.707 -0.114 17995
4177 1 9 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.104 0.292 17995
4178 1 9 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.766 1.543 17995
4179 1 9 . 1 1 103 103 LEU H H 81 7.784 7.784 7.627 0.157 17995
4180 1 9 . 1 1 104 104 SER N N 82 114.826 114.826 114.181 0.645 17995
4181 1 9 . 1 1 104 104 SER HA H 82 4.358 4.358 4.397 -0.039 17995
4182 1 9 . 1 1 104 104 SER C C 82 174.810 174.810 175.049 -0.239 17995
4183 1 9 . 1 1 104 104 SER CA C 82 59.567 59.567 59.998 -0.431 17995
4184 1 9 . 1 1 104 104 SER CB C 82 63.859 63.859 63.447 0.412 17995
4185 1 9 . 1 1 104 104 SER H H 82 7.738 7.738 7.732 0.006 17995
4186 1 10 . 1 1 24 24 GLN N N 2 121.730 121.730 120.234 1.496 17995
4187 1 10 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.439 -0.477 17995
4188 1 10 . 1 1 24 24 GLN C C 2 177.291 177.291 177.997 -0.706 17995
4189 1 10 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.626 0.765 17995
4190 1 10 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.369 -0.659 17995
4191 1 10 . 1 1 24 24 GLN H H 2 8.511 8.511 9.234 -0.723 17995
4192 1 10 . 1 1 25 25 HIS N N 3 116.878 116.878 119.460 -2.582 17995
4193 1 10 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.547 0.556 17995
4194 1 10 . 1 1 25 25 HIS C C 3 175.501 175.501 177.683 -2.182 17995
4195 1 10 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.871 -2.524 17995
4196 1 10 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.145 0.482 17995
4197 1 10 . 1 1 25 25 HIS H H 3 8.216 8.216 8.489 -0.273 17995
4198 1 10 . 1 1 26 26 LEU N N 4 121.540 121.540 119.212 2.328 17995
4199 1 10 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.116 -0.423 17995
4200 1 10 . 1 1 26 26 LEU C C 4 177.649 177.649 178.292 -0.643 17995
4201 1 10 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.291 1.412 17995
4202 1 10 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.185 1.150 17995
4203 1 10 . 1 1 26 26 LEU H H 4 7.447 7.447 8.193 -0.746 17995
4204 1 10 . 1 1 27 27 GLU N N 5 118.441 118.441 119.779 -1.338 17995
4205 1 10 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.976 -0.085 17995
4206 1 10 . 1 1 27 27 GLU C C 5 178.162 178.162 178.478 -0.316 17995
4207 1 10 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.225 0.397 17995
4208 1 10 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.579 -0.502 17995
4209 1 10 . 1 1 27 27 GLU H H 5 8.561 8.561 7.814 0.747 17995
4210 1 10 . 1 1 28 28 ALA N N 6 122.005 122.005 122.221 -0.216 17995
4211 1 10 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.155 -0.023 17995
4212 1 10 . 1 1 28 28 ALA C C 6 180.421 180.421 179.959 0.462 17995
4213 1 10 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.839 0.440 17995
4214 1 10 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.091 0.675 17995
4215 1 10 . 1 1 28 28 ALA H H 6 8.205 8.205 7.648 0.557 17995
4216 1 10 . 1 1 29 29 VAL N N 7 116.985 116.985 119.562 -2.577 17995
4217 1 10 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.623 -0.114 17995
4218 1 10 . 1 1 29 29 VAL C C 7 177.034 177.034 177.692 -0.658 17995
4219 1 10 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.972 0.391 17995
4220 1 10 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.689 -0.250 17995
4221 1 10 . 1 1 29 29 VAL H H 7 8.392 8.392 8.042 0.350 17995
4222 1 10 . 1 1 30 30 ARG N N 8 121.674 121.674 118.978 2.696 17995
4223 1 10 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.031 -0.367 17995
4224 1 10 . 1 1 30 30 ARG C C 8 177.810 177.810 178.418 -0.608 17995
4225 1 10 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.292 1.233 17995
4226 1 10 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.441 1.225 17995
4227 1 10 . 1 1 30 30 ARG H H 8 8.784 8.784 8.370 0.414 17995
4228 1 10 . 1 1 31 31 ASN N N 9 118.102 118.102 118.768 -0.666 17995
4229 1 10 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.543 -0.259 17995
4230 1 10 . 1 1 31 31 ASN C C 9 177.890 177.890 177.831 0.059 17995
4231 1 10 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.975 0.279 17995
4232 1 10 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.237 -0.649 17995
4233 1 10 . 1 1 31 31 ASN H H 9 8.144 8.144 7.953 0.191 17995
4234 1 10 . 1 1 32 32 ILE N N 10 123.614 123.614 121.167 2.447 17995
4235 1 10 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.564 0.228 17995
4236 1 10 . 1 1 32 32 ILE C C 10 177.810 177.810 177.536 0.274 17995
4237 1 10 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.167 0.091 17995
4238 1 10 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.997 0.737 17995
4239 1 10 . 1 1 32 32 ILE H H 10 8.137 8.137 7.733 0.404 17995
4240 1 10 . 1 1 33 33 LEU N N 11 119.797 119.797 119.750 0.047 17995
4241 1 10 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.951 -0.165 17995
4242 1 10 . 1 1 33 33 LEU C C 11 179.039 179.039 179.455 -0.416 17995
4243 1 10 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.070 0.640 17995
4244 1 10 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.336 0.740 17995
4245 1 10 . 1 1 33 33 LEU H H 11 8.637 8.637 8.482 0.155 17995
4246 1 10 . 1 1 34 34 GLY N N 12 103.682 103.682 105.920 -2.238 17995
4247 1 10 . 1 1 34 34 GLY C C 12 175.242 175.242 175.588 -0.346 17995
4248 1 10 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.860 0.858 17995
4249 1 10 . 1 1 34 34 GLY H H 12 8.513 8.513 8.370 0.143 17995
4250 1 10 . 1 1 35 35 ASP N N 13 122.235 122.235 121.571 0.664 17995
4251 1 10 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.582 0.003 17995
4252 1 10 . 1 1 35 35 ASP C C 13 179.013 179.013 178.149 0.864 17995
4253 1 10 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.647 0.269 17995
4254 1 10 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.247 -0.201 17995
4255 1 10 . 1 1 35 35 ASP H H 13 7.968 7.968 7.668 0.300 17995
4256 1 10 . 1 1 36 36 VAL N N 14 120.841 120.841 119.859 0.982 17995
4257 1 10 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.896 -0.219 17995
4258 1 10 . 1 1 36 36 VAL C C 14 177.797 177.797 177.656 0.141 17995
4259 1 10 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.436 0.568 17995
4260 1 10 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.072 0.160 17995
4261 1 10 . 1 1 36 36 VAL H H 14 8.765 8.765 8.074 0.691 17995
4262 1 10 . 1 1 37 37 LEU N N 15 114.630 114.630 116.017 -1.387 17995
4263 1 10 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.406 -0.125 17995
4264 1 10 . 1 1 37 37 LEU C C 15 175.483 175.483 176.120 -0.637 17995
4265 1 10 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.256 -0.086 17995
4266 1 10 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.784 -0.090 17995
4267 1 10 . 1 1 37 37 LEU H H 15 7.942 7.942 8.051 -0.109 17995
4268 1 10 . 1 1 38 38 ASN N N 16 116.887 116.887 116.334 0.553 17995
4269 1 10 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.473 0.061 17995
4270 1 10 . 1 1 38 38 ASN C C 16 175.668 175.668 175.163 0.505 17995
4271 1 10 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.985 -0.065 17995
4272 1 10 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.406 -0.548 17995
4273 1 10 . 1 1 38 38 ASN H H 16 7.561 7.561 7.612 -0.051 17995
4274 1 10 . 1 1 39 39 LEU N N 17 114.676 114.676 118.927 -4.251 17995
4275 1 10 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.267 -0.197 17995
4276 1 10 . 1 1 39 39 LEU C C 17 178.415 178.415 178.080 0.335 17995
4277 1 10 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.020 -0.276 17995
4278 1 10 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.413 0.862 17995
4279 1 10 . 1 1 39 39 LEU H H 17 8.233 8.233 8.089 0.144 17995
4280 1 10 . 1 1 40 40 GLY N N 18 109.665 109.665 107.567 2.098 17995
4281 1 10 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.720 -0.415 17995
4282 1 10 . 1 1 40 40 GLY H H 18 8.678 8.678 7.822 0.856 17995
4283 1 10 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.284 -0.156 17995
4284 1 10 . 1 1 41 41 GLU C C 19 178.328 178.328 178.253 0.075 17995
4285 1 10 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.959 1.305 17995
4286 1 10 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.988 -0.908 17995
4287 1 10 . 1 1 42 42 ARG N N 20 118.936 118.936 120.950 -2.014 17995
4288 1 10 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.160 0.015 17995
4289 1 10 . 1 1 42 42 ARG C C 20 178.912 178.912 177.814 1.098 17995
4290 1 10 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.624 -0.387 17995
4291 1 10 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.308 -0.252 17995
4292 1 10 . 1 1 42 42 ARG H H 20 7.979 7.979 7.820 0.159 17995
4293 1 10 . 1 1 43 43 LYS N N 21 119.087 119.087 114.255 4.832 17995
4294 1 10 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.062 -0.314 17995
4295 1 10 . 1 1 43 43 LYS C C 21 176.559 176.559 177.500 -0.941 17995
4296 1 10 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.839 0.259 17995
4297 1 10 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.666 0.315 17995
4298 1 10 . 1 1 43 43 LYS H H 21 7.719 7.719 8.231 -0.512 17995
4299 1 10 . 1 1 44 44 HIS N N 22 115.571 115.571 117.223 -1.652 17995
4300 1 10 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.604 -0.176 17995
4301 1 10 . 1 1 44 44 HIS C C 22 176.288 176.288 175.769 0.519 17995
4302 1 10 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.990 -0.206 17995
4303 1 10 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.257 -0.787 17995
4304 1 10 . 1 1 44 44 HIS H H 22 7.124 7.124 7.761 -0.637 17995
4305 1 10 . 1 1 45 45 THR N N 23 107.890 107.890 113.926 -6.036 17995
4306 1 10 . 1 1 45 45 THR HA H 23 4.355 4.355 4.197 0.158 17995
4307 1 10 . 1 1 45 45 THR C C 23 174.650 174.650 175.042 -0.392 17995
4308 1 10 . 1 1 45 45 THR CA C 23 61.627 61.627 62.617 -0.990 17995
4309 1 10 . 1 1 45 45 THR CB C 23 69.475 69.475 69.060 0.415 17995
4310 1 10 . 1 1 45 45 THR H H 23 7.441 7.441 7.548 -0.107 17995
4311 1 10 . 1 1 46 46 LEU N N 24 121.435 121.435 118.989 2.446 17995
4312 1 10 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.965 -0.342 17995
4313 1 10 . 1 1 46 46 LEU C C 24 176.537 176.537 175.158 1.379 17995
4314 1 10 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.201 1.389 17995
4315 1 10 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.960 0.157 17995
4316 1 10 . 1 1 46 46 LEU H H 24 7.059 7.059 7.292 -0.233 17995
4317 1 10 . 1 1 47 47 THR N N 25 116.104 116.104 113.352 2.752 17995
4318 1 10 . 1 1 47 47 THR HA H 25 4.605 4.605 4.656 -0.051 17995
4319 1 10 . 1 1 47 47 THR C C 25 175.526 175.526 175.841 -0.315 17995
4320 1 10 . 1 1 47 47 THR CA C 25 59.878 59.878 60.146 -0.268 17995
4321 1 10 . 1 1 47 47 THR CB C 25 71.752 71.752 70.636 1.115 17995
4322 1 10 . 1 1 47 47 THR H H 25 9.432 9.432 7.957 1.475 17995
4323 1 10 . 1 1 48 48 ALA N N 26 122.234 122.234 122.227 0.007 17995
4324 1 10 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.130 -0.321 17995
4325 1 10 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.500 0.093 17995
4326 1 10 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.371 0.283 17995
4327 1 10 . 1 1 48 48 ALA H H 26 9.142 9.142 8.512 0.630 17995
4328 1 10 . 1 1 49 49 SER HA H 27 4.448 4.448 4.352 0.096 17995
4329 1 10 . 1 1 49 49 SER C C 27 174.637 174.637 174.656 -0.019 17995
4330 1 10 . 1 1 49 49 SER CA C 27 58.348 58.348 58.321 0.027 17995
4331 1 10 . 1 1 49 49 SER CB C 27 63.704 63.704 62.519 1.185 17995
4332 1 10 . 1 1 50 50 SER N N 28 122.032 122.032 117.451 4.581 17995
4333 1 10 . 1 1 50 50 SER HA H 28 4.269 4.269 4.391 -0.122 17995
4334 1 10 . 1 1 50 50 SER C C 28 172.904 172.904 173.848 -0.944 17995
4335 1 10 . 1 1 50 50 SER CA C 28 60.846 60.846 58.439 2.407 17995
4336 1 10 . 1 1 50 50 SER CB C 28 63.063 63.063 63.558 -0.495 17995
4337 1 10 . 1 1 50 50 SER H H 28 8.157 8.157 7.481 0.676 17995
4338 1 10 . 1 1 51 51 VAL N N 29 127.079 127.079 126.293 0.786 17995
4339 1 10 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.256 0.086 17995
4340 1 10 . 1 1 51 51 VAL C C 29 176.612 176.612 175.650 0.962 17995
4341 1 10 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.461 -0.013 17995
4342 1 10 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.551 -0.326 17995
4343 1 10 . 1 1 51 51 VAL H H 29 8.505 8.505 8.375 0.130 17995
4344 1 10 . 1 1 52 52 LEU N N 30 126.014 126.014 125.115 0.899 17995
4345 1 10 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.571 0.224 17995
4346 1 10 . 1 1 52 52 LEU C C 30 176.569 176.569 177.404 -0.835 17995
4347 1 10 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.625 -1.093 17995
4348 1 10 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.742 -1.738 17995
4349 1 10 . 1 1 52 52 LEU H H 30 7.954 7.954 8.378 -0.424 17995
4350 1 10 . 1 1 53 53 LEU N N 31 122.601 122.601 119.988 2.613 17995
4351 1 10 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.903 0.183 17995
4352 1 10 . 1 1 53 53 LEU C C 31 177.683 177.683 178.417 -0.734 17995
4353 1 10 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.660 0.715 17995
4354 1 10 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.634 0.185 17995
4355 1 10 . 1 1 53 53 LEU H H 31 7.777 7.777 7.630 0.147 17995
4356 1 10 . 1 1 54 54 GLY N N 32 114.941 114.941 114.105 0.836 17995
4357 1 10 . 1 1 54 54 GLY C C 32 173.612 173.612 174.683 -1.071 17995
4358 1 10 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.776 -0.218 17995
4359 1 10 . 1 1 54 54 GLY H H 32 9.121 9.121 9.155 -0.034 17995
4360 1 10 . 1 1 55 55 ASN N N 33 117.901 117.901 120.521 -2.620 17995
4361 1 10 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.736 0.194 17995
4362 1 10 . 1 1 55 55 ASN C C 33 174.458 174.458 176.479 -2.021 17995
4363 1 10 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.568 -0.749 17995
4364 1 10 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.553 1.994 17995
4365 1 10 . 1 1 55 55 ASN H H 33 7.789 7.789 7.842 -0.053 17995
4366 1 10 . 1 1 56 56 ILE N N 34 120.163 120.163 122.558 -2.395 17995
4367 1 10 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.360 0.177 17995
4368 1 10 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.265 -0.264 17995
4369 1 10 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.271 1.822 17995
4370 1 10 . 1 1 56 56 ILE H H 34 7.703 7.703 7.848 -0.145 17995
4371 1 10 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.397 -0.224 17995
4372 1 10 . 1 1 57 57 PRO C C 35 177.969 177.969 176.708 1.261 17995
4373 1 10 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.297 0.979 17995
4374 1 10 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.152 -0.218 17995
4375 1 10 . 1 1 58 58 GLU N N 36 116.701 116.701 116.847 -0.146 17995
4376 1 10 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.318 -0.346 17995
4377 1 10 . 1 1 58 58 GLU C C 36 176.612 176.612 176.138 0.474 17995
4378 1 10 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.028 3.319 17995
4379 1 10 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.487 0.345 17995
4380 1 10 . 1 1 58 58 GLU H H 36 9.581 9.581 8.578 1.003 17995
4381 1 10 . 1 1 59 59 LEU N N 37 121.189 121.189 123.731 -2.542 17995
4382 1 10 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.279 0.033 17995
4383 1 10 . 1 1 59 59 LEU C C 37 173.353 173.353 175.767 -2.414 17995
4384 1 10 . 1 1 59 59 LEU CA C 37 53.278 53.278 55.371 -2.093 17995
4385 1 10 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.639 0.360 17995
4386 1 10 . 1 1 59 59 LEU H H 37 7.560 7.560 7.257 0.303 17995
4387 1 10 . 1 1 60 60 ASP N N 38 126.468 126.468 125.036 1.432 17995
4388 1 10 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.812 -0.097 17995
4389 1 10 . 1 1 60 60 ASP C C 38 175.828 175.828 176.794 -0.966 17995
4390 1 10 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.589 -1.669 17995
4391 1 10 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.121 -2.565 17995
4392 1 10 . 1 1 60 60 ASP H H 38 7.527 7.527 7.565 -0.038 17995
4393 1 10 . 1 1 61 61 SER N N 39 113.128 113.128 114.824 -1.696 17995
4394 1 10 . 1 1 61 61 SER HA H 39 4.019 4.019 4.244 -0.225 17995
4395 1 10 . 1 1 61 61 SER C C 39 175.854 175.854 176.683 -0.829 17995
4396 1 10 . 1 1 61 61 SER CA C 39 61.276 61.276 61.373 -0.097 17995
4397 1 10 . 1 1 61 61 SER CB C 39 65.520 65.520 62.978 2.542 17995
4398 1 10 . 1 1 61 61 SER H H 39 8.623 8.623 8.512 0.111 17995
4399 1 10 . 1 1 62 62 MET N N 40 121.706 121.706 121.070 0.636 17995
4400 1 10 . 1 1 62 62 MET HA H 40 4.303 4.303 4.231 0.072 17995
4401 1 10 . 1 1 62 62 MET C C 40 177.755 177.755 178.153 -0.398 17995
4402 1 10 . 1 1 62 62 MET CA C 40 57.714 57.714 57.252 0.462 17995
4403 1 10 . 1 1 62 62 MET CB C 40 32.386 32.386 31.136 1.250 17995
4404 1 10 . 1 1 62 62 MET H H 40 7.802 7.802 8.426 -0.624 17995
4405 1 10 . 1 1 63 63 ALA N N 41 124.277 124.277 121.885 2.392 17995
4406 1 10 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.121 0.050 17995
4407 1 10 . 1 1 63 63 ALA C C 41 179.893 179.893 179.570 0.323 17995
4408 1 10 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.731 0.370 17995
4409 1 10 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.643 2.013 17995
4410 1 10 . 1 1 63 63 ALA H H 41 8.295 8.295 8.029 0.266 17995
4411 1 10 . 1 1 64 64 VAL N N 42 118.186 118.186 115.595 2.591 17995
4412 1 10 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.335 -0.342 17995
4413 1 10 . 1 1 64 64 VAL C C 42 177.327 177.327 177.423 -0.096 17995
4414 1 10 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.633 1.679 17995
4415 1 10 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.184 0.008 17995
4416 1 10 . 1 1 64 64 VAL H H 42 8.019 8.019 7.470 0.549 17995
4417 1 10 . 1 1 65 65 VAL N N 43 118.361 118.361 121.129 -2.768 17995
4418 1 10 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.472 0.092 17995
4419 1 10 . 1 1 65 65 VAL C C 43 178.520 178.520 178.132 0.388 17995
4420 1 10 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.404 0.153 17995
4421 1 10 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.154 0.346 17995
4422 1 10 . 1 1 65 65 VAL H H 43 6.942 6.942 7.342 -0.400 17995
4423 1 10 . 1 1 66 66 ASN N N 44 119.476 119.476 118.083 1.393 17995
4424 1 10 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.479 0.083 17995
4425 1 10 . 1 1 66 66 ASN C C 44 178.760 178.760 178.134 0.626 17995
4426 1 10 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.182 -0.346 17995
4427 1 10 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.310 -0.503 17995
4428 1 10 . 1 1 66 66 ASN H H 44 7.789 7.789 7.844 -0.055 17995
4429 1 10 . 1 1 67 67 VAL N N 45 124.029 124.029 117.249 6.780 17995
4430 1 10 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.872 -0.254 17995
4431 1 10 . 1 1 67 67 VAL C C 45 177.100 177.100 177.748 -0.648 17995
4432 1 10 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.105 1.262 17995
4433 1 10 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.569 -0.109 17995
4434 1 10 . 1 1 67 67 VAL H H 45 9.055 9.055 7.832 1.223 17995
4435 1 10 . 1 1 68 68 ILE N N 46 121.006 121.006 122.227 -1.221 17995
4436 1 10 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.739 0.049 17995
4437 1 10 . 1 1 68 68 ILE C C 46 177.871 177.871 178.014 -0.143 17995
4438 1 10 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.448 -0.186 17995
4439 1 10 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.586 -1.419 17995
4440 1 10 . 1 1 68 68 ILE H H 46 8.509 8.509 7.737 0.772 17995
4441 1 10 . 1 1 69 69 THR N N 47 116.096 116.096 117.039 -0.943 17995
4442 1 10 . 1 1 69 69 THR HA H 47 4.391 4.391 4.117 0.274 17995
4443 1 10 . 1 1 69 69 THR C C 47 176.365 176.365 176.529 -0.164 17995
4444 1 10 . 1 1 69 69 THR CA C 47 66.256 66.256 67.131 -0.875 17995
4445 1 10 . 1 1 69 69 THR CB C 47 69.098 69.098 68.389 0.709 17995
4446 1 10 . 1 1 69 69 THR H H 47 8.512 8.512 7.902 0.610 17995
4447 1 10 . 1 1 70 70 ALA N N 48 123.948 123.948 123.865 0.083 17995
4448 1 10 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.193 0.110 17995
4449 1 10 . 1 1 70 70 ALA C C 48 181.452 181.452 179.654 1.798 17995
4450 1 10 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.259 -0.076 17995
4451 1 10 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.309 1.113 17995
4452 1 10 . 1 1 70 70 ALA H H 48 7.802 7.802 7.971 -0.169 17995
4453 1 10 . 1 1 71 71 LEU N N 49 121.199 121.199 119.157 2.042 17995
4454 1 10 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.026 0.197 17995
4455 1 10 . 1 1 71 71 LEU C C 49 178.192 178.192 179.470 -1.278 17995
4456 1 10 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.405 0.156 17995
4457 1 10 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.009 1.442 17995
4458 1 10 . 1 1 71 71 LEU H H 49 8.802 8.802 8.263 0.539 17995
4459 1 10 . 1 1 72 72 GLU N N 50 119.782 119.782 118.696 1.086 17995
4460 1 10 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.344 -0.854 17995
4461 1 10 . 1 1 72 72 GLU C C 50 180.303 180.303 179.540 0.763 17995
4462 1 10 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.805 0.046 17995
4463 1 10 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.519 1.589 17995
4464 1 10 . 1 1 72 72 GLU H H 50 8.762 8.762 8.382 0.380 17995
4465 1 10 . 1 1 73 73 GLU N N 51 116.902 116.902 119.361 -2.459 17995
4466 1 10 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995
4467 1 10 . 1 1 73 73 GLU C C 51 178.334 178.334 178.748 -0.414 17995
4468 1 10 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.720 -0.102 17995
4469 1 10 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.468 0.614 17995
4470 1 10 . 1 1 73 73 GLU H H 51 7.953 7.953 7.856 0.097 17995
4471 1 10 . 1 1 74 74 TYR N N 52 119.999 119.999 117.441 2.558 17995
4472 1 10 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.319 -0.437 17995
4473 1 10 . 1 1 74 74 TYR C C 52 177.384 177.384 178.026 -0.642 17995
4474 1 10 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.795 0.805 17995
4475 1 10 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.755 0.890 17995
4476 1 10 . 1 1 74 74 TYR H H 52 8.078 8.078 7.937 0.141 17995
4477 1 10 . 1 1 75 75 PHE N N 53 113.650 113.650 115.327 -1.677 17995
4478 1 10 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.206 -0.020 17995
4479 1 10 . 1 1 75 75 PHE C C 53 174.485 174.485 175.310 -0.825 17995
4480 1 10 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.998 0.245 17995
4481 1 10 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.394 1.646 17995
4482 1 10 . 1 1 75 75 PHE H H 53 8.244 8.244 7.975 0.269 17995
4483 1 10 . 1 1 76 76 ASP N N 54 119.712 119.712 118.473 1.239 17995
4484 1 10 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.402 -0.022 17995
4485 1 10 . 1 1 76 76 ASP C C 54 174.118 174.118 175.170 -1.052 17995
4486 1 10 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.048 -0.185 17995
4487 1 10 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.655 -0.499 17995
4488 1 10 . 1 1 76 76 ASP H H 54 7.596 7.596 7.712 -0.116 17995
4489 1 10 . 1 1 77 77 PHE N N 55 113.804 113.804 116.474 -2.670 17995
4490 1 10 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.024 0.051 17995
4491 1 10 . 1 1 77 77 PHE C C 55 174.384 174.384 174.053 0.331 17995
4492 1 10 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.169 -0.733 17995
4493 1 10 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.158 0.472 17995
4494 1 10 . 1 1 77 77 PHE H H 55 7.725 7.725 7.800 -0.075 17995
4495 1 10 . 1 1 78 78 SER N N 56 114.319 114.319 116.450 -2.131 17995
4496 1 10 . 1 1 78 78 SER HA H 56 5.149 5.149 4.976 0.173 17995
4497 1 10 . 1 1 78 78 SER C C 56 174.100 174.100 173.178 0.922 17995
4498 1 10 . 1 1 78 78 SER CA C 56 56.800 56.800 56.501 0.299 17995
4499 1 10 . 1 1 78 78 SER CB C 56 65.011 65.011 63.969 1.042 17995
4500 1 10 . 1 1 78 78 SER H H 56 8.727 8.727 8.430 0.297 17995
4501 1 10 . 1 1 79 79 VAL N N 57 128.316 128.316 128.947 -0.631 17995
4502 1 10 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.570 0.674 17995
4503 1 10 . 1 1 79 79 VAL C C 57 175.637 175.637 175.097 0.540 17995
4504 1 10 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.743 -0.989 17995
4505 1 10 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.461 1.412 17995
4506 1 10 . 1 1 79 79 VAL H H 57 10.222 10.222 8.568 1.654 17995
4507 1 10 . 1 1 80 80 ASP N N 58 130.058 130.058 127.044 3.014 17995
4508 1 10 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.508 0.338 17995
4509 1 10 . 1 1 80 80 ASP C C 58 177.205 177.205 176.981 0.224 17995
4510 1 10 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.349 -0.873 17995
4511 1 10 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.079 -0.414 17995
4512 1 10 . 1 1 80 80 ASP H H 58 9.396 9.396 7.922 1.474 17995
4513 1 10 . 1 1 81 81 ASP N N 59 122.564 122.564 125.352 -2.788 17995
4514 1 10 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.304 -0.024 17995
4515 1 10 . 1 1 81 81 ASP C C 59 177.291 177.291 177.654 -0.363 17995
4516 1 10 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.182 0.278 17995
4517 1 10 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.075 -0.345 17995
4518 1 10 . 1 1 81 81 ASP H H 59 8.696 8.696 8.802 -0.106 17995
4519 1 10 . 1 1 82 82 ASP N N 60 115.817 115.817 118.407 -2.590 17995
4520 1 10 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.522 0.037 17995
4521 1 10 . 1 1 82 82 ASP C C 60 176.939 176.939 177.398 -0.459 17995
4522 1 10 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.080 -1.219 17995
4523 1 10 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.155 -0.740 17995
4524 1 10 . 1 1 82 82 ASP H H 60 8.460 8.460 7.998 0.462 17995
4525 1 10 . 1 1 83 83 GLU N N 61 118.478 118.478 116.790 1.688 17995
4526 1 10 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.424 -0.123 17995
4527 1 10 . 1 1 83 83 GLU C C 61 175.841 175.841 176.378 -0.537 17995
4528 1 10 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.556 0.748 17995
4529 1 10 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.580 0.911 17995
4530 1 10 . 1 1 83 83 GLU H H 61 7.903 7.903 7.721 0.182 17995
4531 1 10 . 1 1 84 84 ILE N N 62 117.759 117.759 121.595 -3.836 17995
4532 1 10 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.821 0.344 17995
4533 1 10 . 1 1 84 84 ILE C C 62 174.069 174.069 175.104 -1.035 17995
4534 1 10 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.837 -2.343 17995
4535 1 10 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.048 2.087 17995
4536 1 10 . 1 1 84 84 ILE H H 62 7.396 7.396 7.140 0.256 17995
4537 1 10 . 1 1 85 85 SER N N 63 119.980 119.980 121.503 -1.523 17995
4538 1 10 . 1 1 85 85 SER HA H 63 4.789 4.789 4.735 0.054 17995
4539 1 10 . 1 1 85 85 SER CA C 63 56.772 56.772 56.361 0.411 17995
4540 1 10 . 1 1 85 85 SER CB C 63 66.916 66.916 66.129 0.787 17995
4541 1 10 . 1 1 85 85 SER H H 63 8.384 8.384 8.073 0.311 17995
4542 1 10 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.309 -0.281 17995
4543 1 10 . 1 1 86 86 ALA C C 64 180.211 180.211 179.515 0.696 17995
4544 1 10 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.842 0.659 17995
4545 1 10 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.772 -0.762 17995
4546 1 10 . 1 1 87 87 GLN N N 65 116.123 116.123 115.653 0.470 17995
4547 1 10 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.190 -0.125 17995
4548 1 10 . 1 1 87 87 GLN C C 65 178.564 178.564 178.157 0.407 17995
4549 1 10 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.241 1.498 17995
4550 1 10 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.718 0.725 17995
4551 1 10 . 1 1 87 87 GLN H H 65 7.990 7.990 7.971 0.019 17995
4552 1 10 . 1 1 88 88 THR N N 66 119.153 119.153 117.627 1.526 17995
4553 1 10 . 1 1 88 88 THR HA H 66 3.631 3.631 3.953 -0.322 17995
4554 1 10 . 1 1 88 88 THR C C 66 174.748 174.748 174.641 0.107 17995
4555 1 10 . 1 1 88 88 THR CA C 66 66.591 66.591 66.150 0.441 17995
4556 1 10 . 1 1 88 88 THR CB C 66 68.702 68.702 68.411 0.291 17995
4557 1 10 . 1 1 88 88 THR H H 66 7.738 7.738 7.580 0.158 17995
4558 1 10 . 1 1 89 89 PHE N N 67 115.088 115.088 115.996 -0.908 17995
4559 1 10 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.647 -0.410 17995
4560 1 10 . 1 1 89 89 PHE C C 67 173.600 173.600 176.237 -2.637 17995
4561 1 10 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.333 0.189 17995
4562 1 10 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.258 1.448 17995
4563 1 10 . 1 1 89 89 PHE H H 67 7.180 7.180 7.665 -0.485 17995
4564 1 10 . 1 1 90 90 GLU N N 68 122.222 122.222 119.908 2.314 17995
4565 1 10 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995
4566 1 10 . 1 1 90 90 GLU C C 68 178.581 178.581 176.671 1.910 17995
4567 1 10 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.826 0.900 17995
4568 1 10 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.934 0.814 17995
4569 1 10 . 1 1 90 90 GLU H H 68 7.421 7.421 7.628 -0.207 17995
4570 1 10 . 1 1 91 91 THR N N 69 106.383 106.383 108.481 -2.098 17995
4571 1 10 . 1 1 91 91 THR HA H 69 5.477 5.477 4.822 0.655 17995
4572 1 10 . 1 1 91 91 THR C C 69 174.775 174.775 174.395 0.380 17995
4573 1 10 . 1 1 91 91 THR CA C 69 58.798 58.798 59.547 -0.749 17995
4574 1 10 . 1 1 91 91 THR CB C 69 74.841 74.841 72.922 1.919 17995
4575 1 10 . 1 1 91 91 THR H H 69 8.534 8.534 7.382 1.152 17995
4576 1 10 . 1 1 92 92 LEU N N 70 120.326 120.326 123.085 -2.759 17995
4577 1 10 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.090 0.053 17995
4578 1 10 . 1 1 92 92 LEU C C 70 178.174 178.174 178.170 0.004 17995
4579 1 10 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.951 0.315 17995
4580 1 10 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.014 -1.144 17995
4581 1 10 . 1 1 92 92 LEU H H 70 7.991 7.991 8.694 -0.703 17995
4582 1 10 . 1 1 93 93 GLY N N 71 106.588 106.588 104.903 1.685 17995
4583 1 10 . 1 1 93 93 GLY C C 71 175.300 175.300 176.112 -0.812 17995
4584 1 10 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.403 -0.066 17995
4585 1 10 . 1 1 93 93 GLY H H 71 9.019 9.019 8.543 0.476 17995
4586 1 10 . 1 1 94 94 SER N N 72 120.200 120.200 118.632 1.568 17995
4587 1 10 . 1 1 94 94 SER HA H 72 4.090 4.090 4.271 -0.181 17995
4588 1 10 . 1 1 94 94 SER C C 72 177.631 177.631 176.753 0.878 17995
4589 1 10 . 1 1 94 94 SER CA C 72 62.329 62.329 62.161 0.168 17995
4590 1 10 . 1 1 94 94 SER H H 72 8.709 8.709 7.386 1.323 17995
4591 1 10 . 1 1 95 95 LEU N N 73 129.169 129.169 121.885 7.284 17995
4592 1 10 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.926 0.314 17995
4593 1 10 . 1 1 95 95 LEU C C 73 176.439 176.439 179.039 -2.600 17995
4594 1 10 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.138 0.664 17995
4595 1 10 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.118 1.741 17995
4596 1 10 . 1 1 95 95 LEU H H 73 7.800 7.800 7.498 0.302 17995
4597 1 10 . 1 1 96 96 ALA N N 74 121.721 121.721 122.426 -0.705 17995
4598 1 10 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.053 -0.064 17995
4599 1 10 . 1 1 96 96 ALA C C 74 180.456 180.456 180.012 0.444 17995
4600 1 10 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.245 0.457 17995
4601 1 10 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.393 -0.677 17995
4602 1 10 . 1 1 96 96 ALA H H 74 8.612 8.612 8.116 0.496 17995
4603 1 10 . 1 1 97 97 LEU N N 75 122.095 122.095 119.322 2.773 17995
4604 1 10 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.024 0.033 17995
4605 1 10 . 1 1 97 97 LEU C C 75 178.805 178.805 179.303 -0.498 17995
4606 1 10 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.969 -0.200 17995
4607 1 10 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.564 1.258 17995
4608 1 10 . 1 1 97 97 LEU H H 75 8.777 8.777 7.914 0.863 17995
4609 1 10 . 1 1 98 98 PHE N N 76 122.741 122.741 117.520 5.221 17995
4610 1 10 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.884 0.378 17995
4611 1 10 . 1 1 98 98 PHE C C 76 176.878 176.878 178.204 -1.326 17995
4612 1 10 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.238 -1.006 17995
4613 1 10 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.234 0.315 17995
4614 1 10 . 1 1 98 98 PHE H H 76 7.889 7.889 7.965 -0.076 17995
4615 1 10 . 1 1 99 99 VAL N N 77 119.641 119.641 115.616 4.025 17995
4616 1 10 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.781 -1.003 17995
4617 1 10 . 1 1 99 99 VAL C C 77 176.414 176.414 177.684 -1.270 17995
4618 1 10 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.536 1.432 17995
4619 1 10 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.750 0.436 17995
4620 1 10 . 1 1 99 99 VAL H H 77 7.599 7.599 8.324 -0.725 17995
4621 1 10 . 1 1 100 100 GLU N N 78 118.850 118.850 122.019 -3.169 17995
4622 1 10 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.255 -0.482 17995
4623 1 10 . 1 1 100 100 GLU C C 78 179.007 179.007 179.256 -0.249 17995
4624 1 10 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.428 0.112 17995
4625 1 10 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.967 0.811 17995
4626 1 10 . 1 1 100 100 GLU H H 78 7.740 7.740 8.264 -0.524 17995
4627 1 10 . 1 1 101 101 HIS N N 79 120.328 120.328 117.908 2.420 17995
4628 1 10 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.073 0.128 17995
4629 1 10 . 1 1 101 101 HIS C C 79 178.242 178.242 177.382 0.860 17995
4630 1 10 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.431 0.807 17995
4631 1 10 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.899 0.039 17995
4632 1 10 . 1 1 101 101 HIS H H 79 8.354 8.354 8.021 0.333 17995
4633 1 10 . 1 1 102 102 LYS N N 80 121.044 121.044 118.425 2.619 17995
4634 1 10 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.108 -0.541 17995
4635 1 10 . 1 1 102 102 LYS C C 80 179.199 179.199 179.410 -0.211 17995
4636 1 10 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.827 -1.840 17995
4637 1 10 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.238 -2.062 17995
4638 1 10 . 1 1 102 102 LYS H H 80 7.908 7.908 7.820 0.088 17995
4639 1 10 . 1 1 103 103 LEU N N 81 118.698 118.698 118.258 0.440 17995
4640 1 10 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.489 -0.331 17995
4641 1 10 . 1 1 103 103 LEU C C 81 178.593 178.593 178.693 -0.100 17995
4642 1 10 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.710 0.686 17995
4643 1 10 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.471 1.838 17995
4644 1 10 . 1 1 103 103 LEU H H 81 7.784 7.784 7.766 0.018 17995
4645 1 10 . 1 1 104 104 SER N N 82 114.826 114.826 113.146 1.680 17995
4646 1 10 . 1 1 104 104 SER HA H 82 4.358 4.358 4.446 -0.088 17995
4647 1 10 . 1 1 104 104 SER C C 82 174.810 174.810 174.483 0.327 17995
4648 1 10 . 1 1 104 104 SER CA C 82 59.567 59.567 59.330 0.237 17995
4649 1 10 . 1 1 104 104 SER CB C 82 63.859 63.859 63.305 0.554 17995
4650 1 10 . 1 1 104 104 SER H H 82 7.738 7.738 7.690 0.048 17995
4651 1 11 . 1 1 24 24 GLN N N 2 121.730 121.730 126.111 -4.381 17995
4652 1 11 . 1 1 24 24 GLN HA H 2 3.962 3.962 3.862 0.100 17995
4653 1 11 . 1 1 24 24 GLN C C 2 177.291 177.291 177.697 -0.406 17995
4654 1 11 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.729 -0.338 17995
4655 1 11 . 1 1 24 24 GLN CB C 2 28.710 28.710 27.957 0.753 17995
4656 1 11 . 1 1 24 24 GLN H H 2 8.511 8.511 8.977 -0.466 17995
4657 1 11 . 1 1 25 25 HIS N N 3 116.878 116.878 119.945 -3.067 17995
4658 1 11 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.477 0.626 17995
4659 1 11 . 1 1 25 25 HIS C C 3 175.501 175.501 177.733 -2.232 17995
4660 1 11 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.684 -2.337 17995
4661 1 11 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.079 0.548 17995
4662 1 11 . 1 1 25 25 HIS H H 3 8.216 8.216 8.241 -0.025 17995
4663 1 11 . 1 1 26 26 LEU N N 4 121.540 121.540 119.464 2.076 17995
4664 1 11 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.087 -0.394 17995
4665 1 11 . 1 1 26 26 LEU C C 4 177.649 177.649 178.411 -0.762 17995
4666 1 11 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.236 1.468 17995
4667 1 11 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.559 0.776 17995
4668 1 11 . 1 1 26 26 LEU H H 4 7.447 7.447 8.516 -1.069 17995
4669 1 11 . 1 1 27 27 GLU N N 5 118.441 118.441 120.151 -1.710 17995
4670 1 11 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.959 -0.068 17995
4671 1 11 . 1 1 27 27 GLU C C 5 178.162 178.162 178.252 -0.090 17995
4672 1 11 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.204 0.418 17995
4673 1 11 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.140 -0.063 17995
4674 1 11 . 1 1 27 27 GLU H H 5 8.561 8.561 7.791 0.770 17995
4675 1 11 . 1 1 28 28 ALA N N 6 122.005 122.005 121.045 0.960 17995
4676 1 11 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.226 -0.094 17995
4677 1 11 . 1 1 28 28 ALA C C 6 180.421 180.421 180.129 0.292 17995
4678 1 11 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.690 0.589 17995
4679 1 11 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.198 0.568 17995
4680 1 11 . 1 1 28 28 ALA H H 6 8.205 8.205 7.630 0.575 17995
4681 1 11 . 1 1 29 29 VAL N N 7 116.985 116.985 120.118 -3.133 17995
4682 1 11 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.682 -0.173 17995
4683 1 11 . 1 1 29 29 VAL C C 7 177.034 177.034 177.662 -0.628 17995
4684 1 11 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.715 -0.352 17995
4685 1 11 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.643 -0.204 17995
4686 1 11 . 1 1 29 29 VAL H H 7 8.392 8.392 7.999 0.393 17995
4687 1 11 . 1 1 30 30 ARG N N 8 121.674 121.674 119.108 2.566 17995
4688 1 11 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.016 -0.352 17995
4689 1 11 . 1 1 30 30 ARG C C 8 177.810 177.810 178.390 -0.580 17995
4690 1 11 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.232 1.293 17995
4691 1 11 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.356 1.310 17995
4692 1 11 . 1 1 30 30 ARG H H 8 8.784 8.784 8.416 0.368 17995
4693 1 11 . 1 1 31 31 ASN N N 9 118.102 118.102 118.637 -0.535 17995
4694 1 11 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.468 -0.184 17995
4695 1 11 . 1 1 31 31 ASN C C 9 177.890 177.890 177.280 0.610 17995
4696 1 11 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.633 -0.379 17995
4697 1 11 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.422 -0.834 17995
4698 1 11 . 1 1 31 31 ASN H H 9 8.144 8.144 7.905 0.239 17995
4699 1 11 . 1 1 32 32 ILE N N 10 123.614 123.614 120.309 3.305 17995
4700 1 11 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.495 0.297 17995
4701 1 11 . 1 1 32 32 ILE C C 10 177.810 177.810 177.742 0.068 17995
4702 1 11 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.157 0.101 17995
4703 1 11 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.965 0.769 17995
4704 1 11 . 1 1 32 32 ILE H H 10 8.137 8.137 7.741 0.396 17995
4705 1 11 . 1 1 33 33 LEU N N 11 119.797 119.797 119.807 -0.010 17995
4706 1 11 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.969 -0.183 17995
4707 1 11 . 1 1 33 33 LEU C C 11 179.039 179.039 179.475 -0.436 17995
4708 1 11 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.964 0.746 17995
4709 1 11 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.350 0.726 17995
4710 1 11 . 1 1 33 33 LEU H H 11 8.637 8.637 8.446 0.191 17995
4711 1 11 . 1 1 34 34 GLY N N 12 103.682 103.682 105.697 -2.015 17995
4712 1 11 . 1 1 34 34 GLY C C 12 175.242 175.242 175.612 -0.370 17995
4713 1 11 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.940 0.778 17995
4714 1 11 . 1 1 34 34 GLY H H 12 8.513 8.513 8.311 0.202 17995
4715 1 11 . 1 1 35 35 ASP N N 13 122.235 122.235 121.207 1.028 17995
4716 1 11 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.592 -0.007 17995
4717 1 11 . 1 1 35 35 ASP C C 13 179.013 179.013 177.836 1.177 17995
4718 1 11 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.344 0.572 17995
4719 1 11 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.299 -0.253 17995
4720 1 11 . 1 1 35 35 ASP H H 13 7.968 7.968 7.736 0.232 17995
4721 1 11 . 1 1 36 36 VAL N N 14 120.841 120.841 120.298 0.543 17995
4722 1 11 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.908 -0.231 17995
4723 1 11 . 1 1 36 36 VAL C C 14 177.797 177.797 177.777 0.020 17995
4724 1 11 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.563 0.441 17995
4725 1 11 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.312 -0.080 17995
4726 1 11 . 1 1 36 36 VAL H H 14 8.765 8.765 8.081 0.684 17995
4727 1 11 . 1 1 37 37 LEU N N 15 114.630 114.630 115.491 -0.861 17995
4728 1 11 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.321 -0.040 17995
4729 1 11 . 1 1 37 37 LEU C C 15 175.483 175.483 176.733 -1.250 17995
4730 1 11 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.828 -0.658 17995
4731 1 11 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.219 -0.525 17995
4732 1 11 . 1 1 37 37 LEU H H 15 7.942 7.942 7.958 -0.016 17995
4733 1 11 . 1 1 38 38 ASN N N 16 116.887 116.887 116.967 -0.080 17995
4734 1 11 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.608 -0.074 17995
4735 1 11 . 1 1 38 38 ASN C C 16 175.668 175.668 174.994 0.674 17995
4736 1 11 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.874 0.046 17995
4737 1 11 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.550 -0.691 17995
4738 1 11 . 1 1 38 38 ASN H H 16 7.561 7.561 7.825 -0.264 17995
4739 1 11 . 1 1 39 39 LEU N N 17 114.676 114.676 119.420 -4.744 17995
4740 1 11 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.345 -0.275 17995
4741 1 11 . 1 1 39 39 LEU C C 17 178.415 178.415 177.822 0.593 17995
4742 1 11 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.428 0.316 17995
4743 1 11 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.572 1.704 17995
4744 1 11 . 1 1 39 39 LEU H H 17 8.233 8.233 8.224 0.009 17995
4745 1 11 . 1 1 40 40 GLY N N 18 109.665 109.665 106.961 2.704 17995
4746 1 11 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.996 -0.691 17995
4747 1 11 . 1 1 40 40 GLY H H 18 8.678 8.678 8.135 0.543 17995
4748 1 11 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.312 -0.184 17995
4749 1 11 . 1 1 41 41 GLU C C 19 178.328 178.328 178.931 -0.603 17995
4750 1 11 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.422 0.842 17995
4751 1 11 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.418 -0.338 17995
4752 1 11 . 1 1 42 42 ARG N N 20 118.936 118.936 121.894 -2.958 17995
4753 1 11 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.191 -0.016 17995
4754 1 11 . 1 1 42 42 ARG C C 20 178.912 178.912 177.676 1.236 17995
4755 1 11 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.406 -0.169 17995
4756 1 11 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.330 -0.274 17995
4757 1 11 . 1 1 42 42 ARG H H 20 7.979 7.979 8.348 -0.368 17995
4758 1 11 . 1 1 43 43 LYS N N 21 119.087 119.087 115.576 3.511 17995
4759 1 11 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.054 -0.306 17995
4760 1 11 . 1 1 43 43 LYS C C 21 176.559 176.559 177.685 -1.126 17995
4761 1 11 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.701 0.397 17995
4762 1 11 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.336 0.645 17995
4763 1 11 . 1 1 43 43 LYS H H 21 7.719 7.719 8.293 -0.574 17995
4764 1 11 . 1 1 44 44 HIS N N 22 115.571 115.571 116.437 -0.866 17995
4765 1 11 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.486 -0.058 17995
4766 1 11 . 1 1 44 44 HIS C C 22 176.288 176.288 175.693 0.595 17995
4767 1 11 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.302 -0.518 17995
4768 1 11 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.242 0.228 17995
4769 1 11 . 1 1 44 44 HIS H H 22 7.124 7.124 7.766 -0.642 17995
4770 1 11 . 1 1 45 45 THR N N 23 107.890 107.890 113.061 -5.171 17995
4771 1 11 . 1 1 45 45 THR HA H 23 4.355 4.355 4.287 0.068 17995
4772 1 11 . 1 1 45 45 THR C C 23 174.650 174.650 174.748 -0.098 17995
4773 1 11 . 1 1 45 45 THR CA C 23 61.627 61.627 62.350 -0.723 17995
4774 1 11 . 1 1 45 45 THR CB C 23 69.475 69.475 69.766 -0.292 17995
4775 1 11 . 1 1 45 45 THR H H 23 7.441 7.441 7.502 -0.061 17995
4776 1 11 . 1 1 46 46 LEU N N 24 121.435 121.435 120.412 1.023 17995
4777 1 11 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.784 -0.161 17995
4778 1 11 . 1 1 46 46 LEU C C 24 176.537 176.537 175.703 0.834 17995
4779 1 11 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.868 0.722 17995
4780 1 11 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.780 0.337 17995
4781 1 11 . 1 1 46 46 LEU H H 24 7.059 7.059 7.378 -0.319 17995
4782 1 11 . 1 1 47 47 THR N N 25 116.104 116.104 114.671 1.433 17995
4783 1 11 . 1 1 47 47 THR HA H 25 4.605 4.605 4.514 0.091 17995
4784 1 11 . 1 1 47 47 THR C C 25 175.526 175.526 175.438 0.088 17995
4785 1 11 . 1 1 47 47 THR CA C 25 59.878 59.878 59.886 -0.008 17995
4786 1 11 . 1 1 47 47 THR CB C 25 71.752 71.752 71.293 0.459 17995
4787 1 11 . 1 1 47 47 THR H H 25 9.432 9.432 7.887 1.545 17995
4788 1 11 . 1 1 48 48 ALA N N 26 122.234 122.234 120.936 1.298 17995
4789 1 11 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.149 -0.340 17995
4790 1 11 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.009 0.584 17995
4791 1 11 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.400 0.254 17995
4792 1 11 . 1 1 48 48 ALA H H 26 9.142 9.142 8.586 0.556 17995
4793 1 11 . 1 1 49 49 SER HA H 27 4.448 4.448 4.309 0.139 17995
4794 1 11 . 1 1 49 49 SER C C 27 174.637 174.637 175.040 -0.403 17995
4795 1 11 . 1 1 49 49 SER CA C 27 58.348 58.348 58.928 -0.580 17995
4796 1 11 . 1 1 49 49 SER CB C 27 63.704 63.704 63.189 0.515 17995
4797 1 11 . 1 1 50 50 SER N N 28 122.032 122.032 120.319 1.713 17995
4798 1 11 . 1 1 50 50 SER HA H 28 4.269 4.269 4.381 -0.112 17995
4799 1 11 . 1 1 50 50 SER C C 28 172.904 172.904 173.973 -1.069 17995
4800 1 11 . 1 1 50 50 SER CA C 28 60.846 60.846 58.781 2.065 17995
4801 1 11 . 1 1 50 50 SER CB C 28 63.063 63.063 63.746 -0.683 17995
4802 1 11 . 1 1 50 50 SER H H 28 8.157 8.157 7.633 0.524 17995
4803 1 11 . 1 1 51 51 VAL N N 29 127.079 127.079 125.191 1.888 17995
4804 1 11 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.116 0.226 17995
4805 1 11 . 1 1 51 51 VAL C C 29 176.612 176.612 175.630 0.982 17995
4806 1 11 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.682 -1.234 17995
4807 1 11 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.260 -0.035 17995
4808 1 11 . 1 1 51 51 VAL H H 29 8.505 8.505 8.548 -0.043 17995
4809 1 11 . 1 1 52 52 LEU N N 30 126.014 126.014 122.561 3.453 17995
4810 1 11 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.625 0.170 17995
4811 1 11 . 1 1 52 52 LEU C C 30 176.569 176.569 177.476 -0.907 17995
4812 1 11 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.275 -0.743 17995
4813 1 11 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.435 -2.432 17995
4814 1 11 . 1 1 52 52 LEU H H 30 7.954 7.954 8.272 -0.318 17995
4815 1 11 . 1 1 53 53 LEU N N 31 122.601 122.601 119.613 2.988 17995
4816 1 11 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.941 0.145 17995
4817 1 11 . 1 1 53 53 LEU C C 31 177.683 177.683 177.943 -0.260 17995
4818 1 11 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.534 0.840 17995
4819 1 11 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.137 0.682 17995
4820 1 11 . 1 1 53 53 LEU H H 31 7.777 7.777 7.558 0.219 17995
4821 1 11 . 1 1 54 54 GLY N N 32 114.941 114.941 113.864 1.077 17995
4822 1 11 . 1 1 54 54 GLY C C 32 173.612 173.612 174.768 -1.156 17995
4823 1 11 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.628 -0.070 17995
4824 1 11 . 1 1 54 54 GLY H H 32 9.121 9.121 8.943 0.178 17995
4825 1 11 . 1 1 55 55 ASN N N 33 117.901 117.901 121.334 -3.433 17995
4826 1 11 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.761 0.169 17995
4827 1 11 . 1 1 55 55 ASN C C 33 174.458 174.458 175.985 -1.527 17995
4828 1 11 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.256 -0.437 17995
4829 1 11 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.487 2.060 17995
4830 1 11 . 1 1 55 55 ASN H H 33 7.789 7.789 7.819 -0.030 17995
4831 1 11 . 1 1 56 56 ILE N N 34 120.163 120.163 121.844 -1.681 17995
4832 1 11 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.490 0.047 17995
4833 1 11 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.541 0.459 17995
4834 1 11 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.593 1.500 17995
4835 1 11 . 1 1 56 56 ILE H H 34 7.703 7.703 8.006 -0.303 17995
4836 1 11 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.510 -0.337 17995
4837 1 11 . 1 1 57 57 PRO C C 35 177.969 177.969 176.570 1.399 17995
4838 1 11 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.051 1.225 17995
4839 1 11 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.031 -0.097 17995
4840 1 11 . 1 1 58 58 GLU N N 36 116.701 116.701 117.186 -0.485 17995
4841 1 11 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.335 -0.363 17995
4842 1 11 . 1 1 58 58 GLU C C 36 176.612 176.612 175.933 0.679 17995
4843 1 11 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.798 3.549 17995
4844 1 11 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.359 0.473 17995
4845 1 11 . 1 1 58 58 GLU H H 36 9.581 9.581 8.642 0.939 17995
4846 1 11 . 1 1 59 59 LEU N N 37 121.189 121.189 123.829 -2.640 17995
4847 1 11 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.327 -0.015 17995
4848 1 11 . 1 1 59 59 LEU C C 37 173.353 173.353 175.437 -2.084 17995
4849 1 11 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.380 -1.102 17995
4850 1 11 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.576 -0.577 17995
4851 1 11 . 1 1 59 59 LEU H H 37 7.560 7.560 7.286 0.274 17995
4852 1 11 . 1 1 60 60 ASP N N 38 126.468 126.468 124.965 1.503 17995
4853 1 11 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.679 0.036 17995
4854 1 11 . 1 1 60 60 ASP C C 38 175.828 175.828 177.190 -1.362 17995
4855 1 11 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.393 -1.473 17995
4856 1 11 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.874 -2.318 17995
4857 1 11 . 1 1 60 60 ASP H H 38 7.527 7.527 7.667 -0.140 17995
4858 1 11 . 1 1 61 61 SER N N 39 113.128 113.128 117.488 -4.360 17995
4859 1 11 . 1 1 61 61 SER HA H 39 4.019 4.019 4.148 -0.129 17995
4860 1 11 . 1 1 61 61 SER C C 39 175.854 175.854 176.572 -0.718 17995
4861 1 11 . 1 1 61 61 SER CA C 39 61.276 61.276 61.379 -0.103 17995
4862 1 11 . 1 1 61 61 SER CB C 39 65.520 65.520 62.953 2.567 17995
4863 1 11 . 1 1 61 61 SER H H 39 8.623 8.623 8.412 0.211 17995
4864 1 11 . 1 1 62 62 MET N N 40 121.706 121.706 118.656 3.050 17995
4865 1 11 . 1 1 62 62 MET HA H 40 4.303 4.303 4.245 0.058 17995
4866 1 11 . 1 1 62 62 MET C C 40 177.755 177.755 178.253 -0.498 17995
4867 1 11 . 1 1 62 62 MET CA C 40 57.714 57.714 56.562 1.152 17995
4868 1 11 . 1 1 62 62 MET CB C 40 32.386 32.386 31.365 1.021 17995
4869 1 11 . 1 1 62 62 MET H H 40 7.802 7.802 8.105 -0.303 17995
4870 1 11 . 1 1 63 63 ALA N N 41 124.277 124.277 121.523 2.754 17995
4871 1 11 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.159 0.012 17995
4872 1 11 . 1 1 63 63 ALA C C 41 179.893 179.893 179.425 0.468 17995
4873 1 11 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.670 0.431 17995
4874 1 11 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.017 1.639 17995
4875 1 11 . 1 1 63 63 ALA H H 41 8.295 8.295 7.897 0.398 17995
4876 1 11 . 1 1 64 64 VAL N N 42 118.186 118.186 116.056 2.130 17995
4877 1 11 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.559 -0.566 17995
4878 1 11 . 1 1 64 64 VAL C C 42 177.327 177.327 177.433 -0.106 17995
4879 1 11 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.698 1.614 17995
4880 1 11 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.326 -0.134 17995
4881 1 11 . 1 1 64 64 VAL H H 42 8.019 8.019 7.642 0.377 17995
4882 1 11 . 1 1 65 65 VAL N N 43 118.361 118.361 120.413 -2.052 17995
4883 1 11 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.565 -0.001 17995
4884 1 11 . 1 1 65 65 VAL C C 43 178.520 178.520 178.483 0.037 17995
4885 1 11 . 1 1 65 65 VAL CA C 43 66.557 66.557 65.627 0.930 17995
4886 1 11 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.426 1.074 17995
4887 1 11 . 1 1 65 65 VAL H H 43 6.942 6.942 7.456 -0.514 17995
4888 1 11 . 1 1 66 66 ASN N N 44 119.476 119.476 119.062 0.414 17995
4889 1 11 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.477 0.085 17995
4890 1 11 . 1 1 66 66 ASN C C 44 178.760 178.760 178.148 0.612 17995
4891 1 11 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.324 -0.488 17995
4892 1 11 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.213 -0.406 17995
4893 1 11 . 1 1 66 66 ASN H H 44 7.789 7.789 7.900 -0.111 17995
4894 1 11 . 1 1 67 67 VAL N N 45 124.029 124.029 116.410 7.619 17995
4895 1 11 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.909 -0.291 17995
4896 1 11 . 1 1 67 67 VAL C C 45 177.100 177.100 177.924 -0.824 17995
4897 1 11 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.887 1.479 17995
4898 1 11 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.603 -0.143 17995
4899 1 11 . 1 1 67 67 VAL H H 45 9.055 9.055 7.633 1.422 17995
4900 1 11 . 1 1 68 68 ILE N N 46 121.006 121.006 122.120 -1.114 17995
4901 1 11 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.698 0.090 17995
4902 1 11 . 1 1 68 68 ILE C C 46 177.871 177.871 178.093 -0.222 17995
4903 1 11 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.714 -0.452 17995
4904 1 11 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.594 -1.427 17995
4905 1 11 . 1 1 68 68 ILE H H 46 8.509 8.509 7.851 0.658 17995
4906 1 11 . 1 1 69 69 THR N N 47 116.096 116.096 116.558 -0.462 17995
4907 1 11 . 1 1 69 69 THR HA H 47 4.391 4.391 3.898 0.493 17995
4908 1 11 . 1 1 69 69 THR C C 47 176.365 176.365 176.285 0.080 17995
4909 1 11 . 1 1 69 69 THR CA C 47 66.256 66.256 67.150 -0.894 17995
4910 1 11 . 1 1 69 69 THR CB C 47 69.098 69.098 68.700 0.398 17995
4911 1 11 . 1 1 69 69 THR H H 47 8.512 8.512 7.874 0.638 17995
4912 1 11 . 1 1 70 70 ALA N N 48 123.948 123.948 124.472 -0.524 17995
4913 1 11 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.242 0.061 17995
4914 1 11 . 1 1 70 70 ALA C C 48 181.452 181.452 179.568 1.884 17995
4915 1 11 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.338 -0.155 17995
4916 1 11 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.310 1.112 17995
4917 1 11 . 1 1 70 70 ALA H H 48 7.802 7.802 8.008 -0.206 17995
4918 1 11 . 1 1 71 71 LEU N N 49 121.199 121.199 119.446 1.753 17995
4919 1 11 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.043 0.180 17995
4920 1 11 . 1 1 71 71 LEU C C 49 178.192 178.192 179.456 -1.264 17995
4921 1 11 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.181 0.380 17995
4922 1 11 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.854 1.597 17995
4923 1 11 . 1 1 71 71 LEU H H 49 8.802 8.802 8.193 0.609 17995
4924 1 11 . 1 1 72 72 GLU N N 50 119.782 119.782 118.652 1.130 17995
4925 1 11 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.129 -0.639 17995
4926 1 11 . 1 1 72 72 GLU C C 50 180.303 180.303 179.384 0.919 17995
4927 1 11 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.211 0.641 17995
4928 1 11 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.036 2.072 17995
4929 1 11 . 1 1 72 72 GLU H H 50 8.762 8.762 8.043 0.719 17995
4930 1 11 . 1 1 73 73 GLU N N 51 116.902 116.902 118.781 -1.879 17995
4931 1 11 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.076 -0.024 17995
4932 1 11 . 1 1 73 73 GLU C C 51 178.334 178.334 179.261 -0.927 17995
4933 1 11 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.601 0.017 17995
4934 1 11 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.214 0.868 17995
4935 1 11 . 1 1 73 73 GLU H H 51 7.953 7.953 7.740 0.213 17995
4936 1 11 . 1 1 74 74 TYR N N 52 119.999 119.999 116.986 3.013 17995
4937 1 11 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.405 -0.523 17995
4938 1 11 . 1 1 74 74 TYR C C 52 177.384 177.384 178.304 -0.920 17995
4939 1 11 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.993 0.607 17995
4940 1 11 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.839 0.806 17995
4941 1 11 . 1 1 74 74 TYR H H 52 8.078 8.078 8.039 0.039 17995
4942 1 11 . 1 1 75 75 PHE N N 53 113.650 113.650 115.456 -1.806 17995
4943 1 11 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.569 -0.383 17995
4944 1 11 . 1 1 75 75 PHE C C 53 174.485 174.485 175.546 -1.061 17995
4945 1 11 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.824 0.420 17995
4946 1 11 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.194 0.846 17995
4947 1 11 . 1 1 75 75 PHE H H 53 8.244 8.244 8.246 -0.002 17995
4948 1 11 . 1 1 76 76 ASP N N 54 119.712 119.712 117.758 1.954 17995
4949 1 11 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.543 -0.163 17995
4950 1 11 . 1 1 76 76 ASP C C 54 174.118 174.118 175.385 -1.267 17995
4951 1 11 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.703 -0.840 17995
4952 1 11 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.145 0.011 17995
4953 1 11 . 1 1 76 76 ASP H H 54 7.596 7.596 8.091 -0.495 17995
4954 1 11 . 1 1 77 77 PHE N N 55 113.804 113.804 116.081 -2.277 17995
4955 1 11 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.033 0.042 17995
4956 1 11 . 1 1 77 77 PHE C C 55 174.384 174.384 173.513 0.871 17995
4957 1 11 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.579 -1.143 17995
4958 1 11 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.633 -0.003 17995
4959 1 11 . 1 1 77 77 PHE H H 55 7.725 7.725 8.142 -0.417 17995
4960 1 11 . 1 1 78 78 SER N N 56 114.319 114.319 113.881 0.438 17995
4961 1 11 . 1 1 78 78 SER HA H 56 5.149 5.149 4.763 0.386 17995
4962 1 11 . 1 1 78 78 SER C C 56 174.100 174.100 172.864 1.236 17995
4963 1 11 . 1 1 78 78 SER CA C 56 56.800 56.800 56.455 0.345 17995
4964 1 11 . 1 1 78 78 SER CB C 56 65.011 65.011 64.316 0.695 17995
4965 1 11 . 1 1 78 78 SER H H 56 8.727 8.727 8.221 0.506 17995
4966 1 11 . 1 1 79 79 VAL N N 57 128.316 128.316 127.238 1.078 17995
4967 1 11 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.069 0.175 17995
4968 1 11 . 1 1 79 79 VAL C C 57 175.637 175.637 175.383 0.254 17995
4969 1 11 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.032 -0.279 17995
4970 1 11 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.045 0.827 17995
4971 1 11 . 1 1 79 79 VAL H H 57 10.222 10.222 8.102 2.120 17995
4972 1 11 . 1 1 80 80 ASP N N 58 130.058 130.058 127.157 2.901 17995
4973 1 11 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.533 0.313 17995
4974 1 11 . 1 1 80 80 ASP C C 58 177.205 177.205 176.790 0.415 17995
4975 1 11 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.990 -0.514 17995
4976 1 11 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.266 -0.601 17995
4977 1 11 . 1 1 80 80 ASP H H 58 9.396 9.396 8.692 0.704 17995
4978 1 11 . 1 1 81 81 ASP N N 59 122.564 122.564 123.317 -0.753 17995
4979 1 11 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.360 -0.080 17995
4980 1 11 . 1 1 81 81 ASP C C 59 177.291 177.291 176.775 0.516 17995
4981 1 11 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.651 0.809 17995
4982 1 11 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.089 -0.359 17995
4983 1 11 . 1 1 81 81 ASP H H 59 8.696 8.696 8.758 -0.062 17995
4984 1 11 . 1 1 82 82 ASP N N 60 115.817 115.817 118.094 -2.277 17995
4985 1 11 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.496 0.063 17995
4986 1 11 . 1 1 82 82 ASP C C 60 176.939 176.939 177.673 -0.734 17995
4987 1 11 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.289 -1.428 17995
4988 1 11 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.243 -0.828 17995
4989 1 11 . 1 1 82 82 ASP H H 60 8.460 8.460 7.983 0.477 17995
4990 1 11 . 1 1 83 83 GLU N N 61 118.478 118.478 118.135 0.343 17995
4991 1 11 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.445 -0.144 17995
4992 1 11 . 1 1 83 83 GLU C C 61 175.841 175.841 176.974 -1.133 17995
4993 1 11 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.150 0.154 17995
4994 1 11 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.454 1.036 17995
4995 1 11 . 1 1 83 83 GLU H H 61 7.903 7.903 7.711 0.192 17995
4996 1 11 . 1 1 84 84 ILE N N 62 117.759 117.759 122.177 -4.418 17995
4997 1 11 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.849 0.316 17995
4998 1 11 . 1 1 84 84 ILE C C 62 174.069 174.069 174.664 -0.595 17995
4999 1 11 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.424 -2.930 17995
5000 1 11 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.915 2.220 17995
5001 1 11 . 1 1 84 84 ILE H H 62 7.396 7.396 7.727 -0.331 17995
5002 1 11 . 1 1 85 85 SER N N 63 119.980 119.980 121.343 -1.363 17995
5003 1 11 . 1 1 85 85 SER HA H 63 4.789 4.789 4.684 0.105 17995
5004 1 11 . 1 1 85 85 SER CA C 63 56.772 56.772 56.295 0.477 17995
5005 1 11 . 1 1 85 85 SER CB C 63 66.916 66.916 65.898 1.018 17995
5006 1 11 . 1 1 85 85 SER H H 63 8.384 8.384 7.908 0.476 17995
5007 1 11 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.257 -0.230 17995
5008 1 11 . 1 1 86 86 ALA C C 64 180.211 180.211 179.337 0.874 17995
5009 1 11 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.837 0.664 17995
5010 1 11 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.762 -0.752 17995
5011 1 11 . 1 1 87 87 GLN N N 65 116.123 116.123 114.024 2.099 17995
5012 1 11 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.346 -0.281 17995
5013 1 11 . 1 1 87 87 GLN C C 65 178.564 178.564 177.485 1.079 17995
5014 1 11 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.790 0.949 17995
5015 1 11 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.127 0.316 17995
5016 1 11 . 1 1 87 87 GLN H H 65 7.990 7.990 7.741 0.249 17995
5017 1 11 . 1 1 88 88 THR N N 66 119.153 119.153 114.335 4.818 17995
5018 1 11 . 1 1 88 88 THR HA H 66 3.631 3.631 3.829 -0.198 17995
5019 1 11 . 1 1 88 88 THR C C 66 174.748 174.748 174.405 0.343 17995
5020 1 11 . 1 1 88 88 THR CA C 66 66.591 66.591 64.844 1.747 17995
5021 1 11 . 1 1 88 88 THR CB C 66 68.702 68.702 68.964 -0.262 17995
5022 1 11 . 1 1 88 88 THR H H 66 7.738 7.738 7.468 0.270 17995
5023 1 11 . 1 1 89 89 PHE N N 67 115.088 115.088 117.044 -1.956 17995
5024 1 11 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.669 -0.432 17995
5025 1 11 . 1 1 89 89 PHE C C 67 173.600 173.600 176.904 -3.304 17995
5026 1 11 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.014 -0.492 17995
5027 1 11 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.772 0.934 17995
5028 1 11 . 1 1 89 89 PHE H H 67 7.180 7.180 7.483 -0.303 17995
5029 1 11 . 1 1 90 90 GLU N N 68 122.222 122.222 119.083 3.139 17995
5030 1 11 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.114 0.053 17995
5031 1 11 . 1 1 90 90 GLU C C 68 178.581 178.581 176.510 2.071 17995
5032 1 11 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.340 1.386 17995
5033 1 11 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.951 0.797 17995
5034 1 11 . 1 1 90 90 GLU H H 68 7.421 7.421 7.971 -0.550 17995
5035 1 11 . 1 1 91 91 THR N N 69 106.383 106.383 110.920 -4.537 17995
5036 1 11 . 1 1 91 91 THR HA H 69 5.477 5.477 4.773 0.704 17995
5037 1 11 . 1 1 91 91 THR C C 69 174.775 174.775 174.146 0.629 17995
5038 1 11 . 1 1 91 91 THR CA C 69 58.798 58.798 60.342 -1.544 17995
5039 1 11 . 1 1 91 91 THR CB C 69 74.841 74.841 71.744 3.097 17995
5040 1 11 . 1 1 91 91 THR H H 69 8.534 8.534 7.327 1.207 17995
5041 1 11 . 1 1 92 92 LEU N N 70 120.326 120.326 125.615 -5.289 17995
5042 1 11 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.069 0.074 17995
5043 1 11 . 1 1 92 92 LEU C C 70 178.174 178.174 177.673 0.501 17995
5044 1 11 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.068 1.198 17995
5045 1 11 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.364 -1.494 17995
5046 1 11 . 1 1 92 92 LEU H H 70 7.991 7.991 8.706 -0.715 17995
5047 1 11 . 1 1 93 93 GLY N N 71 106.588 106.588 105.631 0.957 17995
5048 1 11 . 1 1 93 93 GLY C C 71 175.300 175.300 176.058 -0.758 17995
5049 1 11 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.560 -0.223 17995
5050 1 11 . 1 1 93 93 GLY H H 71 9.019 9.019 8.396 0.623 17995
5051 1 11 . 1 1 94 94 SER N N 72 120.200 120.200 118.542 1.658 17995
5052 1 11 . 1 1 94 94 SER HA H 72 4.090 4.090 4.349 -0.259 17995
5053 1 11 . 1 1 94 94 SER C C 72 177.631 177.631 176.756 0.875 17995
5054 1 11 . 1 1 94 94 SER CA C 72 62.329 62.329 62.007 0.322 17995
5055 1 11 . 1 1 94 94 SER H H 72 8.709 8.709 7.515 1.194 17995
5056 1 11 . 1 1 95 95 LEU N N 73 129.169 129.169 121.487 7.682 17995
5057 1 11 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.844 0.396 17995
5058 1 11 . 1 1 95 95 LEU C C 73 176.439 176.439 178.849 -2.410 17995
5059 1 11 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.264 0.538 17995
5060 1 11 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.233 1.626 17995
5061 1 11 . 1 1 95 95 LEU H H 73 7.800 7.800 7.456 0.344 17995
5062 1 11 . 1 1 96 96 ALA N N 74 121.721 121.721 122.434 -0.713 17995
5063 1 11 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.958 0.031 17995
5064 1 11 . 1 1 96 96 ALA C C 74 180.456 180.456 179.905 0.551 17995
5065 1 11 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.299 0.403 17995
5066 1 11 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.359 -0.643 17995
5067 1 11 . 1 1 96 96 ALA H H 74 8.612 8.612 8.003 0.609 17995
5068 1 11 . 1 1 97 97 LEU N N 75 122.095 122.095 118.656 3.439 17995
5069 1 11 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.946 0.111 17995
5070 1 11 . 1 1 97 97 LEU C C 75 178.805 178.805 179.235 -0.430 17995
5071 1 11 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.693 0.076 17995
5072 1 11 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.495 1.327 17995
5073 1 11 . 1 1 97 97 LEU H H 75 8.777 8.777 7.917 0.860 17995
5074 1 11 . 1 1 98 98 PHE N N 76 122.741 122.741 117.965 4.776 17995
5075 1 11 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.836 0.426 17995
5076 1 11 . 1 1 98 98 PHE C C 76 176.878 176.878 178.475 -1.597 17995
5077 1 11 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.292 -1.060 17995
5078 1 11 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.637 -0.088 17995
5079 1 11 . 1 1 98 98 PHE H H 76 7.889 7.889 8.017 -0.128 17995
5080 1 11 . 1 1 99 99 VAL N N 77 119.641 119.641 115.390 4.251 17995
5081 1 11 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.592 -0.814 17995
5082 1 11 . 1 1 99 99 VAL C C 77 176.414 176.414 177.446 -1.032 17995
5083 1 11 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.838 1.131 17995
5084 1 11 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.261 -0.075 17995
5085 1 11 . 1 1 99 99 VAL H H 77 7.599 7.599 8.064 -0.465 17995
5086 1 11 . 1 1 100 100 GLU N N 78 118.850 118.850 121.926 -3.076 17995
5087 1 11 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.139 -0.366 17995
5088 1 11 . 1 1 100 100 GLU C C 78 179.007 179.007 178.986 0.021 17995
5089 1 11 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.375 0.165 17995
5090 1 11 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.002 0.776 17995
5091 1 11 . 1 1 100 100 GLU H H 78 7.740 7.740 8.170 -0.430 17995
5092 1 11 . 1 1 101 101 HIS N N 79 120.328 120.328 117.520 2.808 17995
5093 1 11 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.281 -0.080 17995
5094 1 11 . 1 1 101 101 HIS C C 79 178.242 178.242 177.925 0.317 17995
5095 1 11 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.447 0.791 17995
5096 1 11 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.956 -0.017 17995
5097 1 11 . 1 1 101 101 HIS H H 79 8.354 8.354 7.724 0.630 17995
5098 1 11 . 1 1 102 102 LYS N N 80 121.044 121.044 118.650 2.394 17995
5099 1 11 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.269 -0.702 17995
5100 1 11 . 1 1 102 102 LYS C C 80 179.199 179.199 179.055 0.144 17995
5101 1 11 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.491 -1.504 17995
5102 1 11 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.203 -2.027 17995
5103 1 11 . 1 1 102 102 LYS H H 80 7.908 7.908 7.798 0.110 17995
5104 1 11 . 1 1 103 103 LEU N N 81 118.698 118.698 119.042 -0.344 17995
5105 1 11 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.298 -0.140 17995
5106 1 11 . 1 1 103 103 LEU C C 81 178.593 178.593 178.392 0.201 17995
5107 1 11 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.965 0.431 17995
5108 1 11 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.574 1.735 17995
5109 1 11 . 1 1 103 103 LEU H H 81 7.784 7.784 7.961 -0.177 17995
5110 1 11 . 1 1 104 104 SER N N 82 114.826 114.826 113.399 1.427 17995
5111 1 11 . 1 1 104 104 SER HA H 82 4.358 4.358 4.423 -0.065 17995
5112 1 11 . 1 1 104 104 SER C C 82 174.810 174.810 174.400 0.410 17995
5113 1 11 . 1 1 104 104 SER CA C 82 59.567 59.567 59.912 -0.345 17995
5114 1 11 . 1 1 104 104 SER CB C 82 63.859 63.859 63.927 -0.068 17995
5115 1 11 . 1 1 104 104 SER H H 82 7.738 7.738 7.760 -0.022 17995
5116 1 12 . 1 1 24 24 GLN N N 2 121.730 121.730 120.467 1.263 17995
5117 1 12 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.381 -0.419 17995
5118 1 12 . 1 1 24 24 GLN C C 2 177.291 177.291 177.948 -0.657 17995
5119 1 12 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.646 0.745 17995
5120 1 12 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.355 -0.645 17995
5121 1 12 . 1 1 24 24 GLN H H 2 8.511 8.511 9.200 -0.689 17995
5122 1 12 . 1 1 25 25 HIS N N 3 116.878 116.878 119.430 -2.552 17995
5123 1 12 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.643 0.460 17995
5124 1 12 . 1 1 25 25 HIS C C 3 175.501 175.501 177.441 -1.940 17995
5125 1 12 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.125 -1.778 17995
5126 1 12 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.952 0.675 17995
5127 1 12 . 1 1 25 25 HIS H H 3 8.216 8.216 8.498 -0.282 17995
5128 1 12 . 1 1 26 26 LEU N N 4 121.540 121.540 119.151 2.389 17995
5129 1 12 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.077 -0.384 17995
5130 1 12 . 1 1 26 26 LEU C C 4 177.649 177.649 178.343 -0.694 17995
5131 1 12 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.076 1.627 17995
5132 1 12 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.185 1.150 17995
5133 1 12 . 1 1 26 26 LEU H H 4 7.447 7.447 8.025 -0.578 17995
5134 1 12 . 1 1 27 27 GLU N N 5 118.441 118.441 120.116 -1.675 17995
5135 1 12 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.910 -0.019 17995
5136 1 12 . 1 1 27 27 GLU C C 5 178.162 178.162 178.214 -0.052 17995
5137 1 12 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.221 0.401 17995
5138 1 12 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.123 -0.046 17995
5139 1 12 . 1 1 27 27 GLU H H 5 8.561 8.561 7.808 0.753 17995
5140 1 12 . 1 1 28 28 ALA N N 6 122.005 122.005 121.736 0.269 17995
5141 1 12 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.164 -0.032 17995
5142 1 12 . 1 1 28 28 ALA C C 6 180.421 180.421 180.038 0.383 17995
5143 1 12 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.894 0.385 17995
5144 1 12 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.078 0.688 17995
5145 1 12 . 1 1 28 28 ALA H H 6 8.205 8.205 7.595 0.610 17995
5146 1 12 . 1 1 29 29 VAL N N 7 116.985 116.985 119.398 -2.413 17995
5147 1 12 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.745 -0.236 17995
5148 1 12 . 1 1 29 29 VAL C C 7 177.034 177.034 177.877 -0.843 17995
5149 1 12 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.864 0.499 17995
5150 1 12 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.055 0.384 17995
5151 1 12 . 1 1 29 29 VAL H H 7 8.392 8.392 8.209 0.183 17995
5152 1 12 . 1 1 30 30 ARG N N 8 121.674 121.674 119.146 2.528 17995
5153 1 12 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.988 -0.324 17995
5154 1 12 . 1 1 30 30 ARG C C 8 177.810 177.810 178.320 -0.510 17995
5155 1 12 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.359 1.166 17995
5156 1 12 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.376 1.290 17995
5157 1 12 . 1 1 30 30 ARG H H 8 8.784 8.784 8.205 0.579 17995
5158 1 12 . 1 1 31 31 ASN N N 9 118.102 118.102 118.771 -0.669 17995
5159 1 12 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.556 -0.272 17995
5160 1 12 . 1 1 31 31 ASN C C 9 177.890 177.890 177.795 0.095 17995
5161 1 12 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.929 0.325 17995
5162 1 12 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.223 -0.635 17995
5163 1 12 . 1 1 31 31 ASN H H 9 8.144 8.144 7.819 0.325 17995
5164 1 12 . 1 1 32 32 ILE N N 10 123.614 123.614 121.065 2.549 17995
5165 1 12 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.274 0.518 17995
5166 1 12 . 1 1 32 32 ILE C C 10 177.810 177.810 177.555 0.255 17995
5167 1 12 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.148 0.110 17995
5168 1 12 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.732 1.002 17995
5169 1 12 . 1 1 32 32 ILE H H 10 8.137 8.137 7.692 0.445 17995
5170 1 12 . 1 1 33 33 LEU N N 11 119.797 119.797 119.494 0.303 17995
5171 1 12 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.929 -0.143 17995
5172 1 12 . 1 1 33 33 LEU C C 11 179.039 179.039 179.404 -0.365 17995
5173 1 12 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.135 0.575 17995
5174 1 12 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.392 0.684 17995
5175 1 12 . 1 1 33 33 LEU H H 11 8.637 8.637 8.254 0.383 17995
5176 1 12 . 1 1 34 34 GLY N N 12 103.682 103.682 104.978 -1.296 17995
5177 1 12 . 1 1 34 34 GLY C C 12 175.242 175.242 175.395 -0.153 17995
5178 1 12 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.694 1.024 17995
5179 1 12 . 1 1 34 34 GLY H H 12 8.513 8.513 8.304 0.209 17995
5180 1 12 . 1 1 35 35 ASP N N 13 122.235 122.235 121.950 0.285 17995
5181 1 12 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.603 -0.018 17995
5182 1 12 . 1 1 35 35 ASP C C 13 179.013 179.013 178.145 0.868 17995
5183 1 12 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.003 -0.087 17995
5184 1 12 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.289 -0.243 17995
5185 1 12 . 1 1 35 35 ASP H H 13 7.968 7.968 7.682 0.286 17995
5186 1 12 . 1 1 36 36 VAL N N 14 120.841 120.841 120.420 0.421 17995
5187 1 12 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.887 -0.210 17995
5188 1 12 . 1 1 36 36 VAL C C 14 177.797 177.797 177.898 -0.101 17995
5189 1 12 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.462 0.542 17995
5190 1 12 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.077 0.155 17995
5191 1 12 . 1 1 36 36 VAL H H 14 8.765 8.765 7.847 0.918 17995
5192 1 12 . 1 1 37 37 LEU N N 15 114.630 114.630 116.053 -1.423 17995
5193 1 12 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.358 -0.077 17995
5194 1 12 . 1 1 37 37 LEU C C 15 175.483 175.483 176.216 -0.733 17995
5195 1 12 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.174 -0.004 17995
5196 1 12 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.645 0.049 17995
5197 1 12 . 1 1 37 37 LEU H H 15 7.942 7.942 8.181 -0.239 17995
5198 1 12 . 1 1 38 38 ASN N N 16 116.887 116.887 115.455 1.432 17995
5199 1 12 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.463 0.071 17995
5200 1 12 . 1 1 38 38 ASN C C 16 175.668 175.668 175.427 0.241 17995
5201 1 12 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.901 0.019 17995
5202 1 12 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.640 -0.782 17995
5203 1 12 . 1 1 38 38 ASN H H 16 7.561 7.561 7.665 -0.104 17995
5204 1 12 . 1 1 39 39 LEU N N 17 114.676 114.676 119.046 -4.370 17995
5205 1 12 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.114 -0.044 17995
5206 1 12 . 1 1 39 39 LEU C C 17 178.415 178.415 178.028 0.387 17995
5207 1 12 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.036 -0.292 17995
5208 1 12 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.000 1.276 17995
5209 1 12 . 1 1 39 39 LEU H H 17 8.233 8.233 8.029 0.204 17995
5210 1 12 . 1 1 40 40 GLY N N 18 109.665 109.665 107.262 2.403 17995
5211 1 12 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.564 -0.259 17995
5212 1 12 . 1 1 40 40 GLY H H 18 8.678 8.678 7.785 0.893 17995
5213 1 12 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.319 -0.191 17995
5214 1 12 . 1 1 41 41 GLU C C 19 178.328 178.328 178.184 0.144 17995
5215 1 12 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.696 1.568 17995
5216 1 12 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.047 -0.967 17995
5217 1 12 . 1 1 42 42 ARG N N 20 118.936 118.936 121.176 -2.240 17995
5218 1 12 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.078 0.097 17995
5219 1 12 . 1 1 42 42 ARG C C 20 178.912 178.912 176.780 2.132 17995
5220 1 12 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.849 -0.612 17995
5221 1 12 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.208 -0.152 17995
5222 1 12 . 1 1 42 42 ARG H H 20 7.979 7.979 7.736 0.243 17995
5223 1 12 . 1 1 43 43 LYS N N 21 119.087 119.087 114.070 5.017 17995
5224 1 12 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.142 -0.394 17995
5225 1 12 . 1 1 43 43 LYS C C 21 176.559 176.559 177.353 -0.794 17995
5226 1 12 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.774 0.324 17995
5227 1 12 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.764 0.217 17995
5228 1 12 . 1 1 43 43 LYS H H 21 7.719 7.719 8.201 -0.482 17995
5229 1 12 . 1 1 44 44 HIS N N 22 115.571 115.571 117.271 -1.700 17995
5230 1 12 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.646 -0.218 17995
5231 1 12 . 1 1 44 44 HIS C C 22 176.288 176.288 176.417 -0.129 17995
5232 1 12 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.015 -0.231 17995
5233 1 12 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.983 -0.513 17995
5234 1 12 . 1 1 44 44 HIS H H 22 7.124 7.124 7.934 -0.810 17995
5235 1 12 . 1 1 45 45 THR N N 23 107.890 107.890 115.224 -7.334 17995
5236 1 12 . 1 1 45 45 THR HA H 23 4.355 4.355 4.257 0.098 17995
5237 1 12 . 1 1 45 45 THR C C 23 174.650 174.650 174.619 0.031 17995
5238 1 12 . 1 1 45 45 THR CA C 23 61.627 61.627 62.206 -0.579 17995
5239 1 12 . 1 1 45 45 THR CB C 23 69.475 69.475 68.750 0.725 17995
5240 1 12 . 1 1 45 45 THR H H 23 7.441 7.441 7.568 -0.127 17995
5241 1 12 . 1 1 46 46 LEU N N 24 121.435 121.435 117.744 3.691 17995
5242 1 12 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.925 -0.302 17995
5243 1 12 . 1 1 46 46 LEU C C 24 176.537 176.537 175.099 1.438 17995
5244 1 12 . 1 1 46 46 LEU CA C 24 54.590 54.590 52.736 1.854 17995
5245 1 12 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.472 -0.355 17995
5246 1 12 . 1 1 46 46 LEU H H 24 7.059 7.059 7.343 -0.284 17995
5247 1 12 . 1 1 47 47 THR N N 25 116.104 116.104 109.784 6.320 17995
5248 1 12 . 1 1 47 47 THR HA H 25 4.605 4.605 4.639 -0.034 17995
5249 1 12 . 1 1 47 47 THR C C 25 175.526 175.526 175.636 -0.110 17995
5250 1 12 . 1 1 47 47 THR CA C 25 59.878 59.878 59.578 0.300 17995
5251 1 12 . 1 1 47 47 THR CB C 25 71.752 71.752 71.034 0.718 17995
5252 1 12 . 1 1 47 47 THR H H 25 9.432 9.432 7.867 1.565 17995
5253 1 12 . 1 1 48 48 ALA N N 26 122.234 122.234 121.777 0.457 17995
5254 1 12 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.113 -0.304 17995
5255 1 12 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.916 0.677 17995
5256 1 12 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.523 0.131 17995
5257 1 12 . 1 1 48 48 ALA H H 26 9.142 9.142 8.592 0.550 17995
5258 1 12 . 1 1 49 49 SER HA H 27 4.448 4.448 4.338 0.110 17995
5259 1 12 . 1 1 49 49 SER C C 27 174.637 174.637 174.470 0.167 17995
5260 1 12 . 1 1 49 49 SER CA C 27 58.348 58.348 59.661 -1.313 17995
5261 1 12 . 1 1 49 49 SER CB C 27 63.704 63.704 62.697 1.007 17995
5262 1 12 . 1 1 50 50 SER N N 28 122.032 122.032 118.313 3.719 17995
5263 1 12 . 1 1 50 50 SER HA H 28 4.269 4.269 4.375 -0.106 17995
5264 1 12 . 1 1 50 50 SER C C 28 172.904 172.904 173.665 -0.761 17995
5265 1 12 . 1 1 50 50 SER CA C 28 60.846 60.846 58.247 2.599 17995
5266 1 12 . 1 1 50 50 SER CB C 28 63.063 63.063 63.270 -0.207 17995
5267 1 12 . 1 1 50 50 SER H H 28 8.157 8.157 7.490 0.667 17995
5268 1 12 . 1 1 51 51 VAL N N 29 127.079 127.079 126.207 0.872 17995
5269 1 12 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.209 0.133 17995
5270 1 12 . 1 1 51 51 VAL C C 29 176.612 176.612 175.681 0.931 17995
5271 1 12 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.106 -0.658 17995
5272 1 12 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.053 0.172 17995
5273 1 12 . 1 1 51 51 VAL H H 29 8.505 8.505 8.638 -0.133 17995
5274 1 12 . 1 1 52 52 LEU N N 30 126.014 126.014 121.331 4.683 17995
5275 1 12 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.610 0.185 17995
5276 1 12 . 1 1 52 52 LEU C C 30 176.569 176.569 177.170 -0.601 17995
5277 1 12 . 1 1 52 52 LEU CA C 30 54.532 54.532 54.776 -0.244 17995
5278 1 12 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.459 -2.455 17995
5279 1 12 . 1 1 52 52 LEU H H 30 7.954 7.954 8.416 -0.462 17995
5280 1 12 . 1 1 53 53 LEU N N 31 122.601 122.601 120.736 1.865 17995
5281 1 12 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.040 0.046 17995
5282 1 12 . 1 1 53 53 LEU C C 31 177.683 177.683 177.254 0.429 17995
5283 1 12 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.754 0.620 17995
5284 1 12 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.788 0.031 17995
5285 1 12 . 1 1 53 53 LEU H H 31 7.777 7.777 7.636 0.141 17995
5286 1 12 . 1 1 54 54 GLY N N 32 114.941 114.941 114.025 0.916 17995
5287 1 12 . 1 1 54 54 GLY C C 32 173.612 173.612 174.532 -0.920 17995
5288 1 12 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.337 0.221 17995
5289 1 12 . 1 1 54 54 GLY H H 32 9.121 9.121 8.625 0.496 17995
5290 1 12 . 1 1 55 55 ASN N N 33 117.901 117.901 121.899 -3.998 17995
5291 1 12 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.777 0.153 17995
5292 1 12 . 1 1 55 55 ASN C C 33 174.458 174.458 176.367 -1.909 17995
5293 1 12 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.118 -0.299 17995
5294 1 12 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.586 1.961 17995
5295 1 12 . 1 1 55 55 ASN H H 33 7.789 7.789 7.674 0.115 17995
5296 1 12 . 1 1 56 56 ILE N N 34 120.163 120.163 123.031 -2.868 17995
5297 1 12 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.354 0.183 17995
5298 1 12 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.269 -0.268 17995
5299 1 12 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.133 1.960 17995
5300 1 12 . 1 1 56 56 ILE H H 34 7.703 7.703 8.056 -0.353 17995
5301 1 12 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.443 -0.270 17995
5302 1 12 . 1 1 57 57 PRO C C 35 177.969 177.969 176.485 1.484 17995
5303 1 12 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.161 1.115 17995
5304 1 12 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.945 -0.011 17995
5305 1 12 . 1 1 58 58 GLU N N 36 116.701 116.701 116.952 -0.251 17995
5306 1 12 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.411 -0.439 17995
5307 1 12 . 1 1 58 58 GLU C C 36 176.612 176.612 175.832 0.780 17995
5308 1 12 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.552 3.795 17995
5309 1 12 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.601 0.231 17995
5310 1 12 . 1 1 58 58 GLU H H 36 9.581 9.581 8.505 1.076 17995
5311 1 12 . 1 1 59 59 LEU N N 37 121.189 121.189 124.340 -3.151 17995
5312 1 12 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.323 -0.011 17995
5313 1 12 . 1 1 59 59 LEU C C 37 173.353 173.353 175.863 -2.510 17995
5314 1 12 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.741 -1.463 17995
5315 1 12 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.298 0.701 17995
5316 1 12 . 1 1 59 59 LEU H H 37 7.560 7.560 7.322 0.238 17995
5317 1 12 . 1 1 60 60 ASP N N 38 126.468 126.468 124.556 1.912 17995
5318 1 12 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.693 0.022 17995
5319 1 12 . 1 1 60 60 ASP C C 38 175.828 175.828 176.979 -1.151 17995
5320 1 12 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.321 -1.401 17995
5321 1 12 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.118 -2.562 17995
5322 1 12 . 1 1 60 60 ASP H H 38 7.527 7.527 7.685 -0.158 17995
5323 1 12 . 1 1 61 61 SER N N 39 113.128 113.128 117.810 -4.682 17995
5324 1 12 . 1 1 61 61 SER HA H 39 4.019 4.019 4.160 -0.141 17995
5325 1 12 . 1 1 61 61 SER C C 39 175.854 175.854 176.526 -0.672 17995
5326 1 12 . 1 1 61 61 SER CA C 39 61.276 61.276 61.492 -0.215 17995
5327 1 12 . 1 1 61 61 SER CB C 39 65.520 65.520 62.988 2.532 17995
5328 1 12 . 1 1 61 61 SER H H 39 8.623 8.623 8.445 0.178 17995
5329 1 12 . 1 1 62 62 MET N N 40 121.706 121.706 118.585 3.121 17995
5330 1 12 . 1 1 62 62 MET HA H 40 4.303 4.303 4.246 0.057 17995
5331 1 12 . 1 1 62 62 MET C C 40 177.755 177.755 178.009 -0.254 17995
5332 1 12 . 1 1 62 62 MET CA C 40 57.714 57.714 55.784 1.930 17995
5333 1 12 . 1 1 62 62 MET CB C 40 32.386 32.386 30.959 1.427 17995
5334 1 12 . 1 1 62 62 MET H H 40 7.802 7.802 8.117 -0.315 17995
5335 1 12 . 1 1 63 63 ALA N N 41 124.277 124.277 121.937 2.340 17995
5336 1 12 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.165 0.006 17995
5337 1 12 . 1 1 63 63 ALA C C 41 179.893 179.893 179.413 0.480 17995
5338 1 12 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.628 0.473 17995
5339 1 12 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.018 1.638 17995
5340 1 12 . 1 1 63 63 ALA H H 41 8.295 8.295 7.711 0.584 17995
5341 1 12 . 1 1 64 64 VAL N N 42 118.186 118.186 116.464 1.722 17995
5342 1 12 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.484 -0.491 17995
5343 1 12 . 1 1 64 64 VAL C C 42 177.327 177.327 177.328 -0.001 17995
5344 1 12 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.706 1.606 17995
5345 1 12 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.434 -0.242 17995
5346 1 12 . 1 1 64 64 VAL H H 42 8.019 8.019 7.762 0.257 17995
5347 1 12 . 1 1 65 65 VAL N N 43 118.361 118.361 120.534 -2.173 17995
5348 1 12 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.538 0.026 17995
5349 1 12 . 1 1 65 65 VAL C C 43 178.520 178.520 178.370 0.150 17995
5350 1 12 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.006 0.551 17995
5351 1 12 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.538 0.962 17995
5352 1 12 . 1 1 65 65 VAL H H 43 6.942 6.942 7.427 -0.485 17995
5353 1 12 . 1 1 66 66 ASN N N 44 119.476 119.476 118.566 0.910 17995
5354 1 12 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.492 0.070 17995
5355 1 12 . 1 1 66 66 ASN C C 44 178.760 178.760 178.117 0.643 17995
5356 1 12 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.306 -0.471 17995
5357 1 12 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.236 -0.429 17995
5358 1 12 . 1 1 66 66 ASN H H 44 7.789 7.789 7.968 -0.179 17995
5359 1 12 . 1 1 67 67 VAL N N 45 124.029 124.029 117.238 6.791 17995
5360 1 12 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.864 -0.246 17995
5361 1 12 . 1 1 67 67 VAL C C 45 177.100 177.100 177.586 -0.486 17995
5362 1 12 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.917 1.449 17995
5363 1 12 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.568 -0.108 17995
5364 1 12 . 1 1 67 67 VAL H H 45 9.055 9.055 7.671 1.384 17995
5365 1 12 . 1 1 68 68 ILE N N 46 121.006 121.006 122.682 -1.676 17995
5366 1 12 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.788 0.000 17995
5367 1 12 . 1 1 68 68 ILE C C 46 177.871 177.871 178.065 -0.194 17995
5368 1 12 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.739 -0.477 17995
5369 1 12 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.587 -1.419 17995
5370 1 12 . 1 1 68 68 ILE H H 46 8.509 8.509 7.756 0.753 17995
5371 1 12 . 1 1 69 69 THR N N 47 116.096 116.096 116.050 0.046 17995
5372 1 12 . 1 1 69 69 THR HA H 47 4.391 4.391 3.954 0.437 17995
5373 1 12 . 1 1 69 69 THR C C 47 176.365 176.365 176.219 0.146 17995
5374 1 12 . 1 1 69 69 THR CA C 47 66.256 66.256 67.168 -0.912 17995
5375 1 12 . 1 1 69 69 THR CB C 47 69.098 69.098 68.270 0.828 17995
5376 1 12 . 1 1 69 69 THR H H 47 8.512 8.512 7.889 0.623 17995
5377 1 12 . 1 1 70 70 ALA N N 48 123.948 123.948 124.352 -0.404 17995
5378 1 12 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.320 -0.017 17995
5379 1 12 . 1 1 70 70 ALA C C 48 181.452 181.452 179.595 1.857 17995
5380 1 12 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.306 -0.123 17995
5381 1 12 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.268 1.154 17995
5382 1 12 . 1 1 70 70 ALA H H 48 7.802 7.802 8.053 -0.251 17995
5383 1 12 . 1 1 71 71 LEU N N 49 121.199 121.199 119.468 1.731 17995
5384 1 12 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.249 -0.026 17995
5385 1 12 . 1 1 71 71 LEU C C 49 178.192 178.192 179.837 -1.645 17995
5386 1 12 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.196 0.366 17995
5387 1 12 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.970 1.481 17995
5388 1 12 . 1 1 71 71 LEU H H 49 8.802 8.802 8.283 0.519 17995
5389 1 12 . 1 1 72 72 GLU N N 50 119.782 119.782 118.766 1.016 17995
5390 1 12 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.232 -0.742 17995
5391 1 12 . 1 1 72 72 GLU C C 50 180.303 180.303 180.034 0.269 17995
5392 1 12 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.297 0.554 17995
5393 1 12 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.997 2.111 17995
5394 1 12 . 1 1 72 72 GLU H H 50 8.762 8.762 8.194 0.568 17995
5395 1 12 . 1 1 73 73 GLU N N 51 116.902 116.902 119.524 -2.622 17995
5396 1 12 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.173 -0.121 17995
5397 1 12 . 1 1 73 73 GLU C C 51 178.334 178.334 179.337 -1.003 17995
5398 1 12 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.761 -0.143 17995
5399 1 12 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.526 0.556 17995
5400 1 12 . 1 1 73 73 GLU H H 51 7.953 7.953 7.927 0.026 17995
5401 1 12 . 1 1 74 74 TYR N N 52 119.999 119.999 118.585 1.414 17995
5402 1 12 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.267 -0.385 17995
5403 1 12 . 1 1 74 74 TYR C C 52 177.384 177.384 178.180 -0.796 17995
5404 1 12 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.145 0.455 17995
5405 1 12 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.656 0.989 17995
5406 1 12 . 1 1 74 74 TYR H H 52 8.078 8.078 8.193 -0.115 17995
5407 1 12 . 1 1 75 75 PHE N N 53 113.650 113.650 114.774 -1.124 17995
5408 1 12 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.360 -0.174 17995
5409 1 12 . 1 1 75 75 PHE C C 53 174.485 174.485 175.464 -0.979 17995
5410 1 12 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.308 -0.064 17995
5411 1 12 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.934 1.106 17995
5412 1 12 . 1 1 75 75 PHE H H 53 8.244 8.244 8.112 0.132 17995
5413 1 12 . 1 1 76 76 ASP N N 54 119.712 119.712 117.894 1.818 17995
5414 1 12 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.511 -0.131 17995
5415 1 12 . 1 1 76 76 ASP C C 54 174.118 174.118 175.388 -1.270 17995
5416 1 12 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.380 -0.517 17995
5417 1 12 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.923 -0.768 17995
5418 1 12 . 1 1 76 76 ASP H H 54 7.596 7.596 7.961 -0.365 17995
5419 1 12 . 1 1 77 77 PHE N N 55 113.804 113.804 114.062 -0.258 17995
5420 1 12 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.023 0.052 17995
5421 1 12 . 1 1 77 77 PHE C C 55 174.384 174.384 173.508 0.876 17995
5422 1 12 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.898 -1.462 17995
5423 1 12 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.416 -0.786 17995
5424 1 12 . 1 1 77 77 PHE H H 55 7.725 7.725 8.204 -0.479 17995
5425 1 12 . 1 1 78 78 SER N N 56 114.319 114.319 116.027 -1.708 17995
5426 1 12 . 1 1 78 78 SER HA H 56 5.149 5.149 4.851 0.298 17995
5427 1 12 . 1 1 78 78 SER C C 56 174.100 174.100 173.420 0.680 17995
5428 1 12 . 1 1 78 78 SER CA C 56 56.800 56.800 56.780 0.020 17995
5429 1 12 . 1 1 78 78 SER CB C 56 65.011 65.011 64.499 0.512 17995
5430 1 12 . 1 1 78 78 SER H H 56 8.727 8.727 8.129 0.598 17995
5431 1 12 . 1 1 79 79 VAL N N 57 128.316 128.316 127.002 1.314 17995
5432 1 12 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.767 0.477 17995
5433 1 12 . 1 1 79 79 VAL C C 57 175.637 175.637 175.540 0.097 17995
5434 1 12 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.678 -0.923 17995
5435 1 12 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.741 1.132 17995
5436 1 12 . 1 1 79 79 VAL H H 57 10.222 10.222 8.142 2.080 17995
5437 1 12 . 1 1 80 80 ASP N N 58 130.058 130.058 127.119 2.939 17995
5438 1 12 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.530 0.316 17995
5439 1 12 . 1 1 80 80 ASP C C 58 177.205 177.205 176.748 0.457 17995
5440 1 12 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.546 -1.070 17995
5441 1 12 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.554 -0.889 17995
5442 1 12 . 1 1 80 80 ASP H H 58 9.396 9.396 8.116 1.280 17995
5443 1 12 . 1 1 81 81 ASP N N 59 122.564 122.564 123.090 -0.526 17995
5444 1 12 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.440 -0.160 17995
5445 1 12 . 1 1 81 81 ASP C C 59 177.291 177.291 176.569 0.722 17995
5446 1 12 . 1 1 81 81 ASP CA C 59 57.460 57.460 55.831 1.629 17995
5447 1 12 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.909 -0.179 17995
5448 1 12 . 1 1 81 81 ASP H H 59 8.696 8.696 8.747 -0.051 17995
5449 1 12 . 1 1 82 82 ASP N N 60 115.817 115.817 117.743 -1.926 17995
5450 1 12 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.551 0.008 17995
5451 1 12 . 1 1 82 82 ASP C C 60 176.939 176.939 176.957 -0.018 17995
5452 1 12 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.684 -0.823 17995
5453 1 12 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.199 -0.784 17995
5454 1 12 . 1 1 82 82 ASP H H 60 8.460 8.460 8.074 0.386 17995
5455 1 12 . 1 1 83 83 GLU N N 61 118.478 118.478 117.459 1.019 17995
5456 1 12 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.559 -0.258 17995
5457 1 12 . 1 1 83 83 GLU C C 61 175.841 175.841 176.743 -0.902 17995
5458 1 12 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.615 0.688 17995
5459 1 12 . 1 1 83 83 GLU CB C 61 31.491 31.491 31.334 0.157 17995
5460 1 12 . 1 1 83 83 GLU H H 61 7.903 7.903 7.728 0.175 17995
5461 1 12 . 1 1 84 84 ILE N N 62 117.759 117.759 122.962 -5.203 17995
5462 1 12 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.867 0.298 17995
5463 1 12 . 1 1 84 84 ILE C C 62 174.069 174.069 175.311 -1.242 17995
5464 1 12 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.344 -2.850 17995
5465 1 12 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.382 1.754 17995
5466 1 12 . 1 1 84 84 ILE H H 62 7.396 7.396 7.478 -0.082 17995
5467 1 12 . 1 1 85 85 SER N N 63 119.980 119.980 123.332 -3.352 17995
5468 1 12 . 1 1 85 85 SER HA H 63 4.789 4.789 4.745 0.044 17995
5469 1 12 . 1 1 85 85 SER CA C 63 56.772 56.772 56.597 0.175 17995
5470 1 12 . 1 1 85 85 SER CB C 63 66.916 66.916 66.163 0.753 17995
5471 1 12 . 1 1 85 85 SER H H 63 8.384 8.384 8.323 0.061 17995
5472 1 12 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.210 -0.183 17995
5473 1 12 . 1 1 86 86 ALA C C 64 180.211 180.211 179.370 0.841 17995
5474 1 12 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.953 0.548 17995
5475 1 12 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.411 -0.401 17995
5476 1 12 . 1 1 87 87 GLN N N 65 116.123 116.123 114.540 1.583 17995
5477 1 12 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.265 -0.200 17995
5478 1 12 . 1 1 87 87 GLN C C 65 178.564 178.564 176.600 1.964 17995
5479 1 12 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.675 1.064 17995
5480 1 12 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.744 0.699 17995
5481 1 12 . 1 1 87 87 GLN H H 65 7.990 7.990 8.543 -0.553 17995
5482 1 12 . 1 1 88 88 THR N N 66 119.153 119.153 115.005 4.148 17995
5483 1 12 . 1 1 88 88 THR HA H 66 3.631 3.631 3.841 -0.210 17995
5484 1 12 . 1 1 88 88 THR C C 66 174.748 174.748 174.897 -0.149 17995
5485 1 12 . 1 1 88 88 THR CA C 66 66.591 66.591 65.124 1.467 17995
5486 1 12 . 1 1 88 88 THR CB C 66 68.702 68.702 68.744 -0.042 17995
5487 1 12 . 1 1 88 88 THR H H 66 7.738 7.738 7.513 0.225 17995
5488 1 12 . 1 1 89 89 PHE N N 67 115.088 115.088 118.210 -3.122 17995
5489 1 12 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.563 -0.326 17995
5490 1 12 . 1 1 89 89 PHE C C 67 173.600 173.600 176.482 -2.882 17995
5491 1 12 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.604 -0.082 17995
5492 1 12 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.344 0.362 17995
5493 1 12 . 1 1 89 89 PHE H H 67 7.180 7.180 7.583 -0.403 17995
5494 1 12 . 1 1 90 90 GLU N N 68 122.222 122.222 120.034 2.188 17995
5495 1 12 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995
5496 1 12 . 1 1 90 90 GLU C C 68 178.581 178.581 176.608 1.973 17995
5497 1 12 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.586 1.140 17995
5498 1 12 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.831 0.917 17995
5499 1 12 . 1 1 90 90 GLU H H 68 7.421 7.421 7.974 -0.553 17995
5500 1 12 . 1 1 91 91 THR N N 69 106.383 106.383 112.707 -6.324 17995
5501 1 12 . 1 1 91 91 THR HA H 69 5.477 5.477 4.689 0.788 17995
5502 1 12 . 1 1 91 91 THR C C 69 174.775 174.775 173.727 1.048 17995
5503 1 12 . 1 1 91 91 THR CA C 69 58.798 58.798 60.857 -2.059 17995
5504 1 12 . 1 1 91 91 THR CB C 69 74.841 74.841 72.042 2.799 17995
5505 1 12 . 1 1 91 91 THR H H 69 8.534 8.534 7.342 1.192 17995
5506 1 12 . 1 1 92 92 LEU N N 70 120.326 120.326 125.284 -4.958 17995
5507 1 12 . 1 1 92 92 LEU HA H 70 4.143 4.143 3.981 0.162 17995
5508 1 12 . 1 1 92 92 LEU C C 70 178.174 178.174 177.985 0.189 17995
5509 1 12 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.711 0.555 17995
5510 1 12 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.141 -1.271 17995
5511 1 12 . 1 1 92 92 LEU H H 70 7.991 7.991 8.928 -0.937 17995
5512 1 12 . 1 1 93 93 GLY N N 71 106.588 106.588 105.046 1.542 17995
5513 1 12 . 1 1 93 93 GLY C C 71 175.300 175.300 176.044 -0.744 17995
5514 1 12 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.573 -0.236 17995
5515 1 12 . 1 1 93 93 GLY H H 71 9.019 9.019 8.414 0.605 17995
5516 1 12 . 1 1 94 94 SER N N 72 120.200 120.200 118.722 1.478 17995
5517 1 12 . 1 1 94 94 SER HA H 72 4.090 4.090 4.287 -0.197 17995
5518 1 12 . 1 1 94 94 SER C C 72 177.631 177.631 176.756 0.875 17995
5519 1 12 . 1 1 94 94 SER CA C 72 62.329 62.329 62.127 0.202 17995
5520 1 12 . 1 1 94 94 SER H H 72 8.709 8.709 7.347 1.362 17995
5521 1 12 . 1 1 95 95 LEU N N 73 129.169 129.169 121.209 7.960 17995
5522 1 12 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.886 0.354 17995
5523 1 12 . 1 1 95 95 LEU C C 73 176.439 176.439 178.943 -2.504 17995
5524 1 12 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.892 0.910 17995
5525 1 12 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.085 1.774 17995
5526 1 12 . 1 1 95 95 LEU H H 73 7.800 7.800 7.418 0.382 17995
5527 1 12 . 1 1 96 96 ALA N N 74 121.721 121.721 122.716 -0.995 17995
5528 1 12 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.937 0.052 17995
5529 1 12 . 1 1 96 96 ALA C C 74 180.456 180.456 179.844 0.612 17995
5530 1 12 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.203 0.499 17995
5531 1 12 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.390 -0.674 17995
5532 1 12 . 1 1 96 96 ALA H H 74 8.612 8.612 8.184 0.428 17995
5533 1 12 . 1 1 97 97 LEU N N 75 122.095 122.095 119.112 2.983 17995
5534 1 12 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.898 0.159 17995
5535 1 12 . 1 1 97 97 LEU C C 75 178.805 178.805 178.927 -0.122 17995
5536 1 12 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.983 0.786 17995
5537 1 12 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.052 1.770 17995
5538 1 12 . 1 1 97 97 LEU H H 75 8.777 8.777 8.075 0.702 17995
5539 1 12 . 1 1 98 98 PHE N N 76 122.741 122.741 118.437 4.304 17995
5540 1 12 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.934 0.328 17995
5541 1 12 . 1 1 98 98 PHE C C 76 176.878 176.878 178.362 -1.484 17995
5542 1 12 . 1 1 98 98 PHE CA C 76 61.232 61.232 61.712 -0.480 17995
5543 1 12 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.529 0.020 17995
5544 1 12 . 1 1 98 98 PHE H H 76 7.889 7.889 8.155 -0.266 17995
5545 1 12 . 1 1 99 99 VAL N N 77 119.641 119.641 115.374 4.267 17995
5546 1 12 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.598 -0.820 17995
5547 1 12 . 1 1 99 99 VAL C C 77 176.414 176.414 177.544 -1.130 17995
5548 1 12 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.351 1.617 17995
5549 1 12 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.200 0.986 17995
5550 1 12 . 1 1 99 99 VAL H H 77 7.599 7.599 8.233 -0.634 17995
5551 1 12 . 1 1 100 100 GLU N N 78 118.850 118.850 121.941 -3.091 17995
5552 1 12 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.242 -0.469 17995
5553 1 12 . 1 1 100 100 GLU C C 78 179.007 179.007 179.241 -0.234 17995
5554 1 12 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.592 -0.052 17995
5555 1 12 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.975 0.803 17995
5556 1 12 . 1 1 100 100 GLU H H 78 7.740 7.740 7.960 -0.220 17995
5557 1 12 . 1 1 101 101 HIS N N 79 120.328 120.328 118.134 2.194 17995
5558 1 12 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.306 -0.105 17995
5559 1 12 . 1 1 101 101 HIS C C 79 178.242 178.242 177.939 0.303 17995
5560 1 12 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.403 0.835 17995
5561 1 12 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.902 0.036 17995
5562 1 12 . 1 1 101 101 HIS H H 79 8.354 8.354 7.612 0.742 17995
5563 1 12 . 1 1 102 102 LYS N N 80 121.044 121.044 118.821 2.223 17995
5564 1 12 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.254 -0.687 17995
5565 1 12 . 1 1 102 102 LYS C C 80 179.199 179.199 178.524 0.675 17995
5566 1 12 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.453 -1.466 17995
5567 1 12 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.257 -2.080 17995
5568 1 12 . 1 1 102 102 LYS H H 80 7.908 7.908 7.829 0.079 17995
5569 1 12 . 1 1 103 103 LEU N N 81 118.698 118.698 118.357 0.341 17995
5570 1 12 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.261 -0.103 17995
5571 1 12 . 1 1 103 103 LEU C C 81 178.593 178.593 178.753 -0.160 17995
5572 1 12 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.212 0.183 17995
5573 1 12 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.038 1.271 17995
5574 1 12 . 1 1 103 103 LEU H H 81 7.784 7.784 7.811 -0.027 17995
5575 1 12 . 1 1 104 104 SER N N 82 114.826 114.826 112.660 2.166 17995
5576 1 12 . 1 1 104 104 SER HA H 82 4.358 4.358 4.477 -0.119 17995
5577 1 12 . 1 1 104 104 SER C C 82 174.810 174.810 174.471 0.339 17995
5578 1 12 . 1 1 104 104 SER CA C 82 59.567 59.567 59.759 -0.192 17995
5579 1 12 . 1 1 104 104 SER CB C 82 63.859 63.859 64.286 -0.427 17995
5580 1 12 . 1 1 104 104 SER H H 82 7.738 7.738 7.982 -0.244 17995
5581 1 13 . 1 1 24 24 GLN N N 2 121.730 121.730 121.372 0.358 17995
5582 1 13 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.377 -0.415 17995
5583 1 13 . 1 1 24 24 GLN C C 2 177.291 177.291 177.178 0.113 17995
5584 1 13 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.159 1.232 17995
5585 1 13 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.391 -0.681 17995
5586 1 13 . 1 1 24 24 GLN H H 2 8.511 8.511 8.888 -0.377 17995
5587 1 13 . 1 1 25 25 HIS N N 3 116.878 116.878 120.047 -3.169 17995
5588 1 13 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.721 0.382 17995
5589 1 13 . 1 1 25 25 HIS C C 3 175.501 175.501 176.991 -1.490 17995
5590 1 13 . 1 1 25 25 HIS CA C 3 56.347 56.347 56.197 0.150 17995
5591 1 13 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.677 0.950 17995
5592 1 13 . 1 1 25 25 HIS H H 3 8.216 8.216 7.960 0.256 17995
5593 1 13 . 1 1 26 26 LEU N N 4 121.540 121.540 119.593 1.947 17995
5594 1 13 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.117 -0.424 17995
5595 1 13 . 1 1 26 26 LEU C C 4 177.649 177.649 178.248 -0.599 17995
5596 1 13 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.331 1.372 17995
5597 1 13 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.193 1.142 17995
5598 1 13 . 1 1 26 26 LEU H H 4 7.447 7.447 7.824 -0.377 17995
5599 1 13 . 1 1 27 27 GLU N N 5 118.441 118.441 120.305 -1.864 17995
5600 1 13 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.943 -0.052 17995
5601 1 13 . 1 1 27 27 GLU C C 5 178.162 178.162 178.096 0.066 17995
5602 1 13 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.049 0.573 17995
5603 1 13 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.049 0.028 17995
5604 1 13 . 1 1 27 27 GLU H H 5 8.561 8.561 7.780 0.781 17995
5605 1 13 . 1 1 28 28 ALA N N 6 122.005 122.005 121.731 0.274 17995
5606 1 13 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.202 -0.070 17995
5607 1 13 . 1 1 28 28 ALA C C 6 180.421 180.421 179.901 0.520 17995
5608 1 13 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.859 0.419 17995
5609 1 13 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.296 0.470 17995
5610 1 13 . 1 1 28 28 ALA H H 6 8.205 8.205 8.246 -0.041 17995
5611 1 13 . 1 1 29 29 VAL N N 7 116.985 116.985 119.647 -2.662 17995
5612 1 13 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.584 -0.075 17995
5613 1 13 . 1 1 29 29 VAL C C 7 177.034 177.034 177.566 -0.532 17995
5614 1 13 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.943 0.420 17995
5615 1 13 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.688 -0.249 17995
5616 1 13 . 1 1 29 29 VAL H H 7 8.392 8.392 8.077 0.315 17995
5617 1 13 . 1 1 30 30 ARG N N 8 121.674 121.674 118.726 2.948 17995
5618 1 13 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.054 -0.390 17995
5619 1 13 . 1 1 30 30 ARG C C 8 177.810 177.810 178.543 -0.733 17995
5620 1 13 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.121 1.404 17995
5621 1 13 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.446 1.220 17995
5622 1 13 . 1 1 30 30 ARG H H 8 8.784 8.784 8.347 0.437 17995
5623 1 13 . 1 1 31 31 ASN N N 9 118.102 118.102 118.941 -0.839 17995
5624 1 13 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.516 -0.232 17995
5625 1 13 . 1 1 31 31 ASN C C 9 177.890 177.890 177.331 0.559 17995
5626 1 13 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.464 -0.210 17995
5627 1 13 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.472 -0.884 17995
5628 1 13 . 1 1 31 31 ASN H H 9 8.144 8.144 8.014 0.130 17995
5629 1 13 . 1 1 32 32 ILE N N 10 123.614 123.614 120.420 3.194 17995
5630 1 13 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.661 0.131 17995
5631 1 13 . 1 1 32 32 ILE C C 10 177.810 177.810 177.905 -0.095 17995
5632 1 13 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.266 -0.008 17995
5633 1 13 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.068 0.666 17995
5634 1 13 . 1 1 32 32 ILE H H 10 8.137 8.137 7.822 0.315 17995
5635 1 13 . 1 1 33 33 LEU N N 11 119.797 119.797 119.716 0.081 17995
5636 1 13 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.028 -0.242 17995
5637 1 13 . 1 1 33 33 LEU C C 11 179.039 179.039 179.421 -0.382 17995
5638 1 13 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.031 0.679 17995
5639 1 13 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.367 0.709 17995
5640 1 13 . 1 1 33 33 LEU H H 11 8.637 8.637 8.665 -0.028 17995
5641 1 13 . 1 1 34 34 GLY N N 12 103.682 103.682 105.701 -2.019 17995
5642 1 13 . 1 1 34 34 GLY C C 12 175.242 175.242 175.213 0.029 17995
5643 1 13 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.011 0.707 17995
5644 1 13 . 1 1 34 34 GLY H H 12 8.513 8.513 8.225 0.288 17995
5645 1 13 . 1 1 35 35 ASP N N 13 122.235 122.235 121.157 1.078 17995
5646 1 13 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.690 -0.105 17995
5647 1 13 . 1 1 35 35 ASP C C 13 179.013 179.013 177.963 1.050 17995
5648 1 13 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.112 0.804 17995
5649 1 13 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.541 -0.495 17995
5650 1 13 . 1 1 35 35 ASP H H 13 7.968 7.968 7.708 0.260 17995
5651 1 13 . 1 1 36 36 VAL N N 14 120.841 120.841 119.881 0.960 17995
5652 1 13 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.814 -0.137 17995
5653 1 13 . 1 1 36 36 VAL C C 14 177.797 177.797 177.848 -0.051 17995
5654 1 13 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.614 0.390 17995
5655 1 13 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.237 -0.005 17995
5656 1 13 . 1 1 36 36 VAL H H 14 8.765 8.765 8.151 0.614 17995
5657 1 13 . 1 1 37 37 LEU N N 15 114.630 114.630 115.607 -0.977 17995
5658 1 13 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995
5659 1 13 . 1 1 37 37 LEU C C 15 175.483 175.483 176.706 -1.223 17995
5660 1 13 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.646 -0.476 17995
5661 1 13 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.097 -0.403 17995
5662 1 13 . 1 1 37 37 LEU H H 15 7.942 7.942 7.926 0.016 17995
5663 1 13 . 1 1 38 38 ASN N N 16 116.887 116.887 117.113 -0.226 17995
5664 1 13 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.541 -0.007 17995
5665 1 13 . 1 1 38 38 ASN C C 16 175.668 175.668 175.060 0.608 17995
5666 1 13 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.822 0.098 17995
5667 1 13 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.413 -0.555 17995
5668 1 13 . 1 1 38 38 ASN H H 16 7.561 7.561 7.864 -0.303 17995
5669 1 13 . 1 1 39 39 LEU N N 17 114.676 114.676 120.304 -5.628 17995
5670 1 13 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.203 -0.133 17995
5671 1 13 . 1 1 39 39 LEU C C 17 178.415 178.415 178.097 0.318 17995
5672 1 13 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.109 -0.365 17995
5673 1 13 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.397 0.879 17995
5674 1 13 . 1 1 39 39 LEU H H 17 8.233 8.233 7.729 0.504 17995
5675 1 13 . 1 1 40 40 GLY N N 18 109.665 109.665 107.712 1.953 17995
5676 1 13 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.739 -0.434 17995
5677 1 13 . 1 1 40 40 GLY H H 18 8.678 8.678 7.863 0.815 17995
5678 1 13 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.318 -0.190 17995
5679 1 13 . 1 1 41 41 GLU C C 19 178.328 178.328 177.729 0.599 17995
5680 1 13 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.511 1.753 17995
5681 1 13 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.053 -0.973 17995
5682 1 13 . 1 1 42 42 ARG N N 20 118.936 118.936 120.154 -1.218 17995
5683 1 13 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.076 0.099 17995
5684 1 13 . 1 1 42 42 ARG C C 20 178.912 178.912 177.457 1.455 17995
5685 1 13 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.933 -0.696 17995
5686 1 13 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.286 -0.230 17995
5687 1 13 . 1 1 42 42 ARG H H 20 7.979 7.979 7.776 0.203 17995
5688 1 13 . 1 1 43 43 LYS N N 21 119.087 119.087 113.942 5.145 17995
5689 1 13 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.104 -0.356 17995
5690 1 13 . 1 1 43 43 LYS C C 21 176.559 176.559 177.108 -0.549 17995
5691 1 13 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.763 0.335 17995
5692 1 13 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.564 0.417 17995
5693 1 13 . 1 1 43 43 LYS H H 21 7.719 7.719 8.325 -0.606 17995
5694 1 13 . 1 1 44 44 HIS N N 22 115.571 115.571 117.779 -2.208 17995
5695 1 13 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.385 0.043 17995
5696 1 13 . 1 1 44 44 HIS C C 22 176.288 176.288 176.720 -0.432 17995
5697 1 13 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.428 -0.644 17995
5698 1 13 . 1 1 44 44 HIS CB C 22 30.470 30.470 29.962 0.508 17995
5699 1 13 . 1 1 44 44 HIS H H 22 7.124 7.124 7.515 -0.391 17995
5700 1 13 . 1 1 45 45 THR N N 23 107.890 107.890 112.692 -4.802 17995
5701 1 13 . 1 1 45 45 THR HA H 23 4.355 4.355 4.403 -0.048 17995
5702 1 13 . 1 1 45 45 THR C C 23 174.650 174.650 174.895 -0.245 17995
5703 1 13 . 1 1 45 45 THR CA C 23 61.627 61.627 63.439 -1.812 17995
5704 1 13 . 1 1 45 45 THR CB C 23 69.475 69.475 69.354 0.121 17995
5705 1 13 . 1 1 45 45 THR H H 23 7.441 7.441 7.817 -0.376 17995
5706 1 13 . 1 1 46 46 LEU N N 24 121.435 121.435 119.361 2.074 17995
5707 1 13 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.796 -0.173 17995
5708 1 13 . 1 1 46 46 LEU C C 24 176.537 176.537 175.825 0.712 17995
5709 1 13 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.049 1.541 17995
5710 1 13 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.518 -0.401 17995
5711 1 13 . 1 1 46 46 LEU H H 24 7.059 7.059 7.318 -0.259 17995
5712 1 13 . 1 1 47 47 THR N N 25 116.104 116.104 110.979 5.125 17995
5713 1 13 . 1 1 47 47 THR HA H 25 4.605 4.605 4.512 0.093 17995
5714 1 13 . 1 1 47 47 THR C C 25 175.526 175.526 175.908 -0.382 17995
5715 1 13 . 1 1 47 47 THR CA C 25 59.878 59.878 60.057 -0.179 17995
5716 1 13 . 1 1 47 47 THR CB C 25 71.752 71.752 71.383 0.369 17995
5717 1 13 . 1 1 47 47 THR H H 25 9.432 9.432 8.113 1.319 17995
5718 1 13 . 1 1 48 48 ALA N N 26 122.234 122.234 122.926 -0.692 17995
5719 1 13 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.105 -0.296 17995
5720 1 13 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.705 0.888 17995
5721 1 13 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.322 0.332 17995
5722 1 13 . 1 1 48 48 ALA H H 26 9.142 9.142 8.783 0.359 17995
5723 1 13 . 1 1 49 49 SER HA H 27 4.448 4.448 4.293 0.155 17995
5724 1 13 . 1 1 49 49 SER C C 27 174.637 174.637 174.862 -0.225 17995
5725 1 13 . 1 1 49 49 SER CA C 27 58.348 58.348 60.225 -1.877 17995
5726 1 13 . 1 1 49 49 SER CB C 27 63.704 63.704 63.093 0.611 17995
5727 1 13 . 1 1 50 50 SER N N 28 122.032 122.032 118.991 3.041 17995
5728 1 13 . 1 1 50 50 SER HA H 28 4.269 4.269 4.363 -0.094 17995
5729 1 13 . 1 1 50 50 SER C C 28 172.904 172.904 174.091 -1.187 17995
5730 1 13 . 1 1 50 50 SER CA C 28 60.846 60.846 59.502 1.344 17995
5731 1 13 . 1 1 50 50 SER CB C 28 63.063 63.063 63.895 -0.832 17995
5732 1 13 . 1 1 50 50 SER H H 28 8.157 8.157 7.397 0.760 17995
5733 1 13 . 1 1 51 51 VAL N N 29 127.079 127.079 126.873 0.206 17995
5734 1 13 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.200 0.142 17995
5735 1 13 . 1 1 51 51 VAL C C 29 176.612 176.612 175.866 0.746 17995
5736 1 13 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.995 -0.547 17995
5737 1 13 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.622 -0.397 17995
5738 1 13 . 1 1 51 51 VAL H H 29 8.505 8.505 8.699 -0.194 17995
5739 1 13 . 1 1 52 52 LEU N N 30 126.014 126.014 126.086 -0.072 17995
5740 1 13 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.663 0.132 17995
5741 1 13 . 1 1 52 52 LEU C C 30 176.569 176.569 176.932 -0.363 17995
5742 1 13 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.368 -0.836 17995
5743 1 13 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.940 -1.936 17995
5744 1 13 . 1 1 52 52 LEU H H 30 7.954 7.954 8.523 -0.569 17995
5745 1 13 . 1 1 53 53 LEU N N 31 122.601 122.601 120.661 1.940 17995
5746 1 13 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.975 0.111 17995
5747 1 13 . 1 1 53 53 LEU C C 31 177.683 177.683 177.481 0.202 17995
5748 1 13 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.592 0.782 17995
5749 1 13 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.950 -0.131 17995
5750 1 13 . 1 1 53 53 LEU H H 31 7.777 7.777 8.038 -0.261 17995
5751 1 13 . 1 1 54 54 GLY N N 32 114.941 114.941 114.148 0.793 17995
5752 1 13 . 1 1 54 54 GLY C C 32 173.612 173.612 174.414 -0.802 17995
5753 1 13 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.627 -0.069 17995
5754 1 13 . 1 1 54 54 GLY H H 32 9.121 9.121 8.972 0.149 17995
5755 1 13 . 1 1 55 55 ASN N N 33 117.901 117.901 121.488 -3.587 17995
5756 1 13 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.803 0.127 17995
5757 1 13 . 1 1 55 55 ASN C C 33 174.458 174.458 176.124 -1.666 17995
5758 1 13 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.993 -0.174 17995
5759 1 13 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.668 1.879 17995
5760 1 13 . 1 1 55 55 ASN H H 33 7.789 7.789 7.681 0.108 17995
5761 1 13 . 1 1 56 56 ILE N N 34 120.163 120.163 122.836 -2.673 17995
5762 1 13 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.307 0.230 17995
5763 1 13 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.580 -0.579 17995
5764 1 13 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.034 2.059 17995
5765 1 13 . 1 1 56 56 ILE H H 34 7.703 7.703 8.069 -0.366 17995
5766 1 13 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.407 -0.234 17995
5767 1 13 . 1 1 57 57 PRO C C 35 177.969 177.969 176.825 1.144 17995
5768 1 13 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.332 0.944 17995
5769 1 13 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.976 -0.042 17995
5770 1 13 . 1 1 58 58 GLU N N 36 116.701 116.701 116.684 0.017 17995
5771 1 13 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.346 -0.374 17995
5772 1 13 . 1 1 58 58 GLU C C 36 176.612 176.612 175.969 0.643 17995
5773 1 13 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.808 3.539 17995
5774 1 13 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.383 0.449 17995
5775 1 13 . 1 1 58 58 GLU H H 36 9.581 9.581 8.658 0.923 17995
5776 1 13 . 1 1 59 59 LEU N N 37 121.189 121.189 123.976 -2.787 17995
5777 1 13 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.310 0.002 17995
5778 1 13 . 1 1 59 59 LEU C C 37 173.353 173.353 175.786 -2.433 17995
5779 1 13 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.829 -1.551 17995
5780 1 13 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.435 0.564 17995
5781 1 13 . 1 1 59 59 LEU H H 37 7.560 7.560 7.194 0.366 17995
5782 1 13 . 1 1 60 60 ASP N N 38 126.468 126.468 124.673 1.795 17995
5783 1 13 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.701 0.014 17995
5784 1 13 . 1 1 60 60 ASP C C 38 175.828 175.828 177.114 -1.286 17995
5785 1 13 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.122 -1.202 17995
5786 1 13 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.121 -2.565 17995
5787 1 13 . 1 1 60 60 ASP H H 38 7.527 7.527 7.716 -0.189 17995
5788 1 13 . 1 1 61 61 SER N N 39 113.128 113.128 116.765 -3.637 17995
5789 1 13 . 1 1 61 61 SER HA H 39 4.019 4.019 4.087 -0.068 17995
5790 1 13 . 1 1 61 61 SER C C 39 175.854 175.854 176.917 -1.063 17995
5791 1 13 . 1 1 61 61 SER CA C 39 61.276 61.276 61.722 -0.446 17995
5792 1 13 . 1 1 61 61 SER CB C 39 65.520 65.520 63.007 2.513 17995
5793 1 13 . 1 1 61 61 SER H H 39 8.623 8.623 8.526 0.097 17995
5794 1 13 . 1 1 62 62 MET N N 40 121.706 121.706 117.937 3.769 17995
5795 1 13 . 1 1 62 62 MET HA H 40 4.303 4.303 4.245 0.058 17995
5796 1 13 . 1 1 62 62 MET C C 40 177.755 177.755 178.040 -0.285 17995
5797 1 13 . 1 1 62 62 MET CA C 40 57.714 57.714 56.762 0.952 17995
5798 1 13 . 1 1 62 62 MET CB C 40 32.386 32.386 31.523 0.863 17995
5799 1 13 . 1 1 62 62 MET H H 40 7.802 7.802 8.062 -0.260 17995
5800 1 13 . 1 1 63 63 ALA N N 41 124.277 124.277 121.837 2.440 17995
5801 1 13 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.101 0.070 17995
5802 1 13 . 1 1 63 63 ALA C C 41 179.893 179.893 179.448 0.445 17995
5803 1 13 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.929 0.172 17995
5804 1 13 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.935 1.721 17995
5805 1 13 . 1 1 63 63 ALA H H 41 8.295 8.295 8.063 0.232 17995
5806 1 13 . 1 1 64 64 VAL N N 42 118.186 118.186 115.378 2.808 17995
5807 1 13 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.474 -0.481 17995
5808 1 13 . 1 1 64 64 VAL C C 42 177.327 177.327 177.508 -0.181 17995
5809 1 13 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.622 1.690 17995
5810 1 13 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.056 0.136 17995
5811 1 13 . 1 1 64 64 VAL H H 42 8.019 8.019 7.467 0.552 17995
5812 1 13 . 1 1 65 65 VAL N N 43 118.361 118.361 121.435 -3.074 17995
5813 1 13 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.498 0.066 17995
5814 1 13 . 1 1 65 65 VAL C C 43 178.520 178.520 178.104 0.416 17995
5815 1 13 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.493 0.064 17995
5816 1 13 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.180 0.320 17995
5817 1 13 . 1 1 65 65 VAL H H 43 6.942 6.942 7.360 -0.418 17995
5818 1 13 . 1 1 66 66 ASN N N 44 119.476 119.476 118.560 0.916 17995
5819 1 13 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.463 0.099 17995
5820 1 13 . 1 1 66 66 ASN C C 44 178.760 178.760 178.147 0.613 17995
5821 1 13 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.293 -0.457 17995
5822 1 13 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.228 -0.421 17995
5823 1 13 . 1 1 66 66 ASN H H 44 7.789 7.789 7.959 -0.170 17995
5824 1 13 . 1 1 67 67 VAL N N 45 124.029 124.029 116.564 7.465 17995
5825 1 13 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.922 -0.304 17995
5826 1 13 . 1 1 67 67 VAL C C 45 177.100 177.100 177.839 -0.739 17995
5827 1 13 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.987 1.379 17995
5828 1 13 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.640 -0.180 17995
5829 1 13 . 1 1 67 67 VAL H H 45 9.055 9.055 7.714 1.341 17995
5830 1 13 . 1 1 68 68 ILE N N 46 121.006 121.006 122.558 -1.552 17995
5831 1 13 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.720 0.068 17995
5832 1 13 . 1 1 68 68 ILE C C 46 177.871 177.871 177.952 -0.081 17995
5833 1 13 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.598 -0.336 17995
5834 1 13 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.633 -1.466 17995
5835 1 13 . 1 1 68 68 ILE H H 46 8.509 8.509 7.835 0.674 17995
5836 1 13 . 1 1 69 69 THR N N 47 116.096 116.096 116.306 -0.210 17995
5837 1 13 . 1 1 69 69 THR HA H 47 4.391 4.391 3.878 0.513 17995
5838 1 13 . 1 1 69 69 THR C C 47 176.365 176.365 176.093 0.272 17995
5839 1 13 . 1 1 69 69 THR CA C 47 66.256 66.256 67.263 -1.007 17995
5840 1 13 . 1 1 69 69 THR CB C 47 69.098 69.098 68.216 0.882 17995
5841 1 13 . 1 1 69 69 THR H H 47 8.512 8.512 7.921 0.591 17995
5842 1 13 . 1 1 70 70 ALA N N 48 123.948 123.948 124.084 -0.136 17995
5843 1 13 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.009 0.294 17995
5844 1 13 . 1 1 70 70 ALA C C 48 181.452 181.452 179.565 1.887 17995
5845 1 13 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.190 -0.007 17995
5846 1 13 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.265 1.157 17995
5847 1 13 . 1 1 70 70 ALA H H 48 7.802 7.802 7.866 -0.064 17995
5848 1 13 . 1 1 71 71 LEU N N 49 121.199 121.199 119.305 1.894 17995
5849 1 13 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.238 -0.015 17995
5850 1 13 . 1 1 71 71 LEU C C 49 178.192 178.192 179.817 -1.625 17995
5851 1 13 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.202 0.359 17995
5852 1 13 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.843 1.608 17995
5853 1 13 . 1 1 71 71 LEU H H 49 8.802 8.802 8.332 0.470 17995
5854 1 13 . 1 1 72 72 GLU N N 50 119.782 119.782 118.660 1.122 17995
5855 1 13 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.108 -0.618 17995
5856 1 13 . 1 1 72 72 GLU C C 50 180.303 180.303 179.920 0.383 17995
5857 1 13 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.196 0.655 17995
5858 1 13 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.950 2.158 17995
5859 1 13 . 1 1 72 72 GLU H H 50 8.762 8.762 8.212 0.550 17995
5860 1 13 . 1 1 73 73 GLU N N 51 116.902 116.902 119.252 -2.350 17995
5861 1 13 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.077 -0.025 17995
5862 1 13 . 1 1 73 73 GLU C C 51 178.334 178.334 179.175 -0.841 17995
5863 1 13 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.612 0.006 17995
5864 1 13 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.277 0.805 17995
5865 1 13 . 1 1 73 73 GLU H H 51 7.953 7.953 7.865 0.088 17995
5866 1 13 . 1 1 74 74 TYR N N 52 119.999 119.999 117.591 2.408 17995
5867 1 13 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.343 -0.461 17995
5868 1 13 . 1 1 74 74 TYR C C 52 177.384 177.384 177.922 -0.538 17995
5869 1 13 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.488 1.112 17995
5870 1 13 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.615 1.030 17995
5871 1 13 . 1 1 74 74 TYR H H 52 8.078 8.078 7.897 0.181 17995
5872 1 13 . 1 1 75 75 PHE N N 53 113.650 113.650 115.205 -1.555 17995
5873 1 13 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.524 -0.338 17995
5874 1 13 . 1 1 75 75 PHE C C 53 174.485 174.485 175.475 -0.990 17995
5875 1 13 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.917 0.327 17995
5876 1 13 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.279 0.761 17995
5877 1 13 . 1 1 75 75 PHE H H 53 8.244 8.244 8.288 -0.044 17995
5878 1 13 . 1 1 76 76 ASP N N 54 119.712 119.712 116.586 3.126 17995
5879 1 13 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.475 -0.095 17995
5880 1 13 . 1 1 76 76 ASP C C 54 174.118 174.118 175.449 -1.331 17995
5881 1 13 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.693 -0.830 17995
5882 1 13 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.106 0.050 17995
5883 1 13 . 1 1 76 76 ASP H H 54 7.596 7.596 8.158 -0.562 17995
5884 1 13 . 1 1 77 77 PHE N N 55 113.804 113.804 115.515 -1.711 17995
5885 1 13 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.947 0.128 17995
5886 1 13 . 1 1 77 77 PHE C C 55 174.384 174.384 173.620 0.764 17995
5887 1 13 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.752 -1.316 17995
5888 1 13 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.632 -1.002 17995
5889 1 13 . 1 1 77 77 PHE H H 55 7.725 7.725 8.057 -0.333 17995
5890 1 13 . 1 1 78 78 SER N N 56 114.319 114.319 115.999 -1.680 17995
5891 1 13 . 1 1 78 78 SER HA H 56 5.149 5.149 4.795 0.354 17995
5892 1 13 . 1 1 78 78 SER C C 56 174.100 174.100 173.022 1.078 17995
5893 1 13 . 1 1 78 78 SER CA C 56 56.800 56.800 56.590 0.209 17995
5894 1 13 . 1 1 78 78 SER CB C 56 65.011 65.011 64.522 0.489 17995
5895 1 13 . 1 1 78 78 SER H H 56 8.727 8.727 8.146 0.581 17995
5896 1 13 . 1 1 79 79 VAL N N 57 128.316 128.316 125.239 3.077 17995
5897 1 13 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.769 0.475 17995
5898 1 13 . 1 1 79 79 VAL C C 57 175.637 175.637 175.486 0.151 17995
5899 1 13 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.099 -1.345 17995
5900 1 13 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.223 0.650 17995
5901 1 13 . 1 1 79 79 VAL H H 57 10.222 10.222 8.117 2.105 17995
5902 1 13 . 1 1 80 80 ASP N N 58 130.058 130.058 126.851 3.207 17995
5903 1 13 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.562 0.284 17995
5904 1 13 . 1 1 80 80 ASP C C 58 177.205 177.205 176.671 0.534 17995
5905 1 13 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.254 -0.778 17995
5906 1 13 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.637 -0.972 17995
5907 1 13 . 1 1 80 80 ASP H H 58 9.396 9.396 8.412 0.984 17995
5908 1 13 . 1 1 81 81 ASP N N 59 122.564 122.564 125.035 -2.471 17995
5909 1 13 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.453 -0.173 17995
5910 1 13 . 1 1 81 81 ASP C C 59 177.291 177.291 177.082 0.209 17995
5911 1 13 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.845 0.615 17995
5912 1 13 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.163 -0.433 17995
5913 1 13 . 1 1 81 81 ASP H H 59 8.696 8.696 8.831 -0.135 17995
5914 1 13 . 1 1 82 82 ASP N N 60 115.817 115.817 118.393 -2.576 17995
5915 1 13 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.588 -0.029 17995
5916 1 13 . 1 1 82 82 ASP C C 60 176.939 176.939 176.839 0.100 17995
5917 1 13 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.756 -0.895 17995
5918 1 13 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.993 -0.578 17995
5919 1 13 . 1 1 82 82 ASP H H 60 8.460 8.460 8.063 0.397 17995
5920 1 13 . 1 1 83 83 GLU N N 61 118.478 118.478 118.351 0.127 17995
5921 1 13 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.373 -0.072 17995
5922 1 13 . 1 1 83 83 GLU C C 61 175.841 175.841 176.897 -1.056 17995
5923 1 13 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.025 0.279 17995
5924 1 13 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.780 0.711 17995
5925 1 13 . 1 1 83 83 GLU H H 61 7.903 7.903 7.793 0.110 17995
5926 1 13 . 1 1 84 84 ILE N N 62 117.759 117.759 122.190 -4.431 17995
5927 1 13 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.984 0.181 17995
5928 1 13 . 1 1 84 84 ILE C C 62 174.069 174.069 175.616 -1.547 17995
5929 1 13 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.208 -2.714 17995
5930 1 13 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.041 2.094 17995
5931 1 13 . 1 1 84 84 ILE H H 62 7.396 7.396 7.407 -0.011 17995
5932 1 13 . 1 1 85 85 SER N N 63 119.980 119.980 122.335 -2.355 17995
5933 1 13 . 1 1 85 85 SER HA H 63 4.789 4.789 4.715 0.074 17995
5934 1 13 . 1 1 85 85 SER CA C 63 56.772 56.772 56.411 0.361 17995
5935 1 13 . 1 1 85 85 SER CB C 63 66.916 66.916 65.948 0.968 17995
5936 1 13 . 1 1 85 85 SER H H 63 8.384 8.384 8.404 -0.020 17995
5937 1 13 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.385 -0.358 17995
5938 1 13 . 1 1 86 86 ALA C C 64 180.211 180.211 179.834 0.377 17995
5939 1 13 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.512 0.989 17995
5940 1 13 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.856 -0.846 17995
5941 1 13 . 1 1 87 87 GLN N N 65 116.123 116.123 116.759 -0.636 17995
5942 1 13 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.225 -0.160 17995
5943 1 13 . 1 1 87 87 GLN C C 65 178.564 178.564 178.175 0.389 17995
5944 1 13 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.401 1.338 17995
5945 1 13 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.898 0.545 17995
5946 1 13 . 1 1 87 87 GLN H H 65 7.990 7.990 7.909 0.081 17995
5947 1 13 . 1 1 88 88 THR N N 66 119.153 119.153 117.230 1.923 17995
5948 1 13 . 1 1 88 88 THR HA H 66 3.631 3.631 3.706 -0.075 17995
5949 1 13 . 1 1 88 88 THR C C 66 174.748 174.748 175.057 -0.309 17995
5950 1 13 . 1 1 88 88 THR CA C 66 66.591 66.591 65.550 1.041 17995
5951 1 13 . 1 1 88 88 THR CB C 66 68.702 68.702 68.452 0.250 17995
5952 1 13 . 1 1 88 88 THR H H 66 7.738 7.738 7.284 0.454 17995
5953 1 13 . 1 1 89 89 PHE N N 67 115.088 115.088 118.108 -3.020 17995
5954 1 13 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.569 -0.332 17995
5955 1 13 . 1 1 89 89 PHE C C 67 173.600 173.600 176.086 -2.486 17995
5956 1 13 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.625 -0.103 17995
5957 1 13 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.800 1.906 17995
5958 1 13 . 1 1 89 89 PHE H H 67 7.180 7.180 7.697 -0.517 17995
5959 1 13 . 1 1 90 90 GLU N N 68 122.222 122.222 119.176 3.046 17995
5960 1 13 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.086 0.081 17995
5961 1 13 . 1 1 90 90 GLU C C 68 178.581 178.581 176.888 1.693 17995
5962 1 13 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.237 1.489 17995
5963 1 13 . 1 1 90 90 GLU CB C 68 30.748 30.748 30.028 0.720 17995
5964 1 13 . 1 1 90 90 GLU H H 68 7.421 7.421 7.621 -0.200 17995
5965 1 13 . 1 1 91 91 THR N N 69 106.383 106.383 108.513 -2.130 17995
5966 1 13 . 1 1 91 91 THR HA H 69 5.477 5.477 4.855 0.622 17995
5967 1 13 . 1 1 91 91 THR C C 69 174.775 174.775 174.329 0.446 17995
5968 1 13 . 1 1 91 91 THR CA C 69 58.798 58.798 59.504 -0.706 17995
5969 1 13 . 1 1 91 91 THR CB C 69 74.841 74.841 72.899 1.942 17995
5970 1 13 . 1 1 91 91 THR H H 69 8.534 8.534 7.324 1.210 17995
5971 1 13 . 1 1 92 92 LEU N N 70 120.326 120.326 123.017 -2.691 17995
5972 1 13 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.091 0.052 17995
5973 1 13 . 1 1 92 92 LEU C C 70 178.174 178.174 178.108 0.066 17995
5974 1 13 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.822 0.444 17995
5975 1 13 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.033 -1.163 17995
5976 1 13 . 1 1 92 92 LEU H H 70 7.991 7.991 8.782 -0.791 17995
5977 1 13 . 1 1 93 93 GLY N N 71 106.588 106.588 104.421 2.167 17995
5978 1 13 . 1 1 93 93 GLY C C 71 175.300 175.300 175.896 -0.596 17995
5979 1 13 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.401 -0.064 17995
5980 1 13 . 1 1 93 93 GLY H H 71 9.019 9.019 8.389 0.630 17995
5981 1 13 . 1 1 94 94 SER N N 72 120.200 120.200 118.594 1.606 17995
5982 1 13 . 1 1 94 94 SER HA H 72 4.090 4.090 4.285 -0.195 17995
5983 1 13 . 1 1 94 94 SER C C 72 177.631 177.631 176.319 1.312 17995
5984 1 13 . 1 1 94 94 SER CA C 72 62.329 62.329 62.220 0.109 17995
5985 1 13 . 1 1 94 94 SER H H 72 8.709 8.709 7.328 1.381 17995
5986 1 13 . 1 1 95 95 LEU N N 73 129.169 129.169 121.100 8.069 17995
5987 1 13 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.779 0.461 17995
5988 1 13 . 1 1 95 95 LEU C C 73 176.439 176.439 178.817 -2.378 17995
5989 1 13 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.910 0.892 17995
5990 1 13 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.232 1.627 17995
5991 1 13 . 1 1 95 95 LEU H H 73 7.800 7.800 7.274 0.526 17995
5992 1 13 . 1 1 96 96 ALA N N 74 121.721 121.721 122.518 -0.797 17995
5993 1 13 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.915 0.074 17995
5994 1 13 . 1 1 96 96 ALA C C 74 180.456 180.456 179.537 0.919 17995
5995 1 13 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.249 0.453 17995
5996 1 13 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.363 -0.648 17995
5997 1 13 . 1 1 96 96 ALA H H 74 8.612 8.612 8.310 0.302 17995
5998 1 13 . 1 1 97 97 LEU N N 75 122.095 122.095 119.148 2.947 17995
5999 1 13 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.892 0.165 17995
6000 1 13 . 1 1 97 97 LEU C C 75 178.805 178.805 179.197 -0.392 17995
6001 1 13 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.580 0.189 17995
6002 1 13 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.384 1.438 17995
6003 1 13 . 1 1 97 97 LEU H H 75 8.777 8.777 7.943 0.834 17995
6004 1 13 . 1 1 98 98 PHE N N 76 122.741 122.741 117.928 4.813 17995
6005 1 13 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.028 0.234 17995
6006 1 13 . 1 1 98 98 PHE C C 76 176.878 176.878 178.732 -1.854 17995
6007 1 13 . 1 1 98 98 PHE CA C 76 61.232 61.232 61.552 -0.320 17995
6008 1 13 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.320 0.229 17995
6009 1 13 . 1 1 98 98 PHE H H 76 7.889 7.889 8.120 -0.231 17995
6010 1 13 . 1 1 99 99 VAL N N 77 119.641 119.641 115.548 4.093 17995
6011 1 13 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.641 -0.863 17995
6012 1 13 . 1 1 99 99 VAL C C 77 176.414 176.414 177.731 -1.317 17995
6013 1 13 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.467 0.501 17995
6014 1 13 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.117 0.069 17995
6015 1 13 . 1 1 99 99 VAL H H 77 7.599 7.599 8.045 -0.446 17995
6016 1 13 . 1 1 100 100 GLU N N 78 118.850 118.850 120.457 -1.607 17995
6017 1 13 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.246 -0.473 17995
6018 1 13 . 1 1 100 100 GLU C C 78 179.007 179.007 178.659 0.348 17995
6019 1 13 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.099 0.441 17995
6020 1 13 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.558 0.220 17995
6021 1 13 . 1 1 100 100 GLU H H 78 7.740 7.740 8.082 -0.342 17995
6022 1 13 . 1 1 101 101 HIS N N 79 120.328 120.328 117.881 2.447 17995
6023 1 13 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.446 -0.245 17995
6024 1 13 . 1 1 101 101 HIS C C 79 178.242 178.242 177.840 0.402 17995
6025 1 13 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.223 1.015 17995
6026 1 13 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.069 -0.131 17995
6027 1 13 . 1 1 101 101 HIS H H 79 8.354 8.354 7.960 0.394 17995
6028 1 13 . 1 1 102 102 LYS N N 80 121.044 121.044 120.080 0.964 17995
6029 1 13 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.262 -0.695 17995
6030 1 13 . 1 1 102 102 LYS C C 80 179.199 179.199 178.504 0.695 17995
6031 1 13 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.163 -1.176 17995
6032 1 13 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.303 -2.127 17995
6033 1 13 . 1 1 102 102 LYS H H 80 7.908 7.908 7.779 0.129 17995
6034 1 13 . 1 1 103 103 LEU N N 81 118.698 118.698 118.246 0.452 17995
6035 1 13 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.338 -0.180 17995
6036 1 13 . 1 1 103 103 LEU C C 81 178.593 178.593 178.725 -0.132 17995
6037 1 13 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.877 0.519 17995
6038 1 13 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.126 1.183 17995
6039 1 13 . 1 1 103 103 LEU H H 81 7.784 7.784 8.131 -0.347 17995
6040 1 13 . 1 1 104 104 SER N N 82 114.826 114.826 112.858 1.968 17995
6041 1 13 . 1 1 104 104 SER HA H 82 4.358 4.358 4.316 0.042 17995
6042 1 13 . 1 1 104 104 SER C C 82 174.810 174.810 174.127 0.683 17995
6043 1 13 . 1 1 104 104 SER CA C 82 59.567 59.567 59.481 0.086 17995
6044 1 13 . 1 1 104 104 SER CB C 82 63.859 63.859 64.045 -0.186 17995
6045 1 13 . 1 1 104 104 SER H H 82 7.738 7.738 8.090 -0.352 17995
6046 1 14 . 1 1 24 24 GLN N N 2 121.730 121.730 122.834 -1.104 17995
6047 1 14 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.396 -0.434 17995
6048 1 14 . 1 1 24 24 GLN C C 2 177.291 177.291 177.422 -0.131 17995
6049 1 14 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.179 1.212 17995
6050 1 14 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.396 -0.686 17995
6051 1 14 . 1 1 24 24 GLN H H 2 8.511 8.511 9.239 -0.728 17995
6052 1 14 . 1 1 25 25 HIS N N 3 116.878 116.878 120.221 -3.343 17995
6053 1 14 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.637 0.466 17995
6054 1 14 . 1 1 25 25 HIS C C 3 175.501 175.501 177.423 -1.922 17995
6055 1 14 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.569 -2.222 17995
6056 1 14 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.947 0.680 17995
6057 1 14 . 1 1 25 25 HIS H H 3 8.216 8.216 8.510 -0.294 17995
6058 1 14 . 1 1 26 26 LEU N N 4 121.540 121.540 118.985 2.555 17995
6059 1 14 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.082 -0.389 17995
6060 1 14 . 1 1 26 26 LEU C C 4 177.649 177.649 178.413 -0.764 17995
6061 1 14 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.125 1.578 17995
6062 1 14 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.257 1.078 17995
6063 1 14 . 1 1 26 26 LEU H H 4 7.447 7.447 8.054 -0.607 17995
6064 1 14 . 1 1 27 27 GLU N N 5 118.441 118.441 120.143 -1.702 17995
6065 1 14 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.966 -0.075 17995
6066 1 14 . 1 1 27 27 GLU C C 5 178.162 178.162 178.233 -0.071 17995
6067 1 14 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.159 0.463 17995
6068 1 14 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.118 -0.041 17995
6069 1 14 . 1 1 27 27 GLU H H 5 8.561 8.561 7.852 0.709 17995
6070 1 14 . 1 1 28 28 ALA N N 6 122.005 122.005 121.395 0.610 17995
6071 1 14 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.243 -0.111 17995
6072 1 14 . 1 1 28 28 ALA C C 6 180.421 180.421 180.123 0.298 17995
6073 1 14 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.754 0.525 17995
6074 1 14 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.236 0.530 17995
6075 1 14 . 1 1 28 28 ALA H H 6 8.205 8.205 7.653 0.552 17995
6076 1 14 . 1 1 29 29 VAL N N 7 116.985 116.985 119.997 -3.012 17995
6077 1 14 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.778 -0.269 17995
6078 1 14 . 1 1 29 29 VAL C C 7 177.034 177.034 177.730 -0.696 17995
6079 1 14 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.727 0.636 17995
6080 1 14 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.169 0.270 17995
6081 1 14 . 1 1 29 29 VAL H H 7 8.392 8.392 8.009 0.383 17995
6082 1 14 . 1 1 30 30 ARG N N 8 121.674 121.674 119.221 2.453 17995
6083 1 14 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.057 -0.393 17995
6084 1 14 . 1 1 30 30 ARG C C 8 177.810 177.810 178.646 -0.836 17995
6085 1 14 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.276 1.249 17995
6086 1 14 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.454 1.212 17995
6087 1 14 . 1 1 30 30 ARG H H 8 8.784 8.784 8.205 0.579 17995
6088 1 14 . 1 1 31 31 ASN N N 9 118.102 118.102 118.416 -0.314 17995
6089 1 14 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.524 -0.240 17995
6090 1 14 . 1 1 31 31 ASN C C 9 177.890 177.890 177.157 0.733 17995
6091 1 14 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.973 0.281 17995
6092 1 14 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.312 -0.724 17995
6093 1 14 . 1 1 31 31 ASN H H 9 8.144 8.144 7.854 0.290 17995
6094 1 14 . 1 1 32 32 ILE N N 10 123.614 123.614 120.665 2.949 17995
6095 1 14 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.555 0.237 17995
6096 1 14 . 1 1 32 32 ILE C C 10 177.810 177.810 177.894 -0.084 17995
6097 1 14 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.462 -0.204 17995
6098 1 14 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.093 0.641 17995
6099 1 14 . 1 1 32 32 ILE H H 10 8.137 8.137 7.725 0.412 17995
6100 1 14 . 1 1 33 33 LEU N N 11 119.797 119.797 119.016 0.781 17995
6101 1 14 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.128 -0.342 17995
6102 1 14 . 1 1 33 33 LEU C C 11 179.039 179.039 179.260 -0.221 17995
6103 1 14 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.300 0.410 17995
6104 1 14 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.087 0.990 17995
6105 1 14 . 1 1 33 33 LEU H H 11 8.637 8.637 8.461 0.176 17995
6106 1 14 . 1 1 34 34 GLY N N 12 103.682 103.682 106.835 -3.153 17995
6107 1 14 . 1 1 34 34 GLY C C 12 175.242 175.242 175.883 -0.641 17995
6108 1 14 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.120 0.598 17995
6109 1 14 . 1 1 34 34 GLY H H 12 8.513 8.513 8.209 0.304 17995
6110 1 14 . 1 1 35 35 ASP N N 13 122.235 122.235 121.670 0.565 17995
6111 1 14 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.503 0.082 17995
6112 1 14 . 1 1 35 35 ASP C C 13 179.013 179.013 178.182 0.831 17995
6113 1 14 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.587 0.329 17995
6114 1 14 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.136 -0.090 17995
6115 1 14 . 1 1 35 35 ASP H H 13 7.968 7.968 7.699 0.269 17995
6116 1 14 . 1 1 36 36 VAL N N 14 120.841 120.841 119.962 0.879 17995
6117 1 14 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.800 -0.123 17995
6118 1 14 . 1 1 36 36 VAL C C 14 177.797 177.797 177.838 -0.041 17995
6119 1 14 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.603 0.401 17995
6120 1 14 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.190 0.042 17995
6121 1 14 . 1 1 36 36 VAL H H 14 8.765 8.765 8.001 0.764 17995
6122 1 14 . 1 1 37 37 LEU N N 15 114.630 114.630 116.027 -1.397 17995
6123 1 14 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.386 -0.105 17995
6124 1 14 . 1 1 37 37 LEU C C 15 175.483 175.483 176.530 -1.047 17995
6125 1 14 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.312 -0.142 17995
6126 1 14 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.703 -0.009 17995
6127 1 14 . 1 1 37 37 LEU H H 15 7.942 7.942 7.931 0.011 17995
6128 1 14 . 1 1 38 38 ASN N N 16 116.887 116.887 115.893 0.994 17995
6129 1 14 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.520 0.014 17995
6130 1 14 . 1 1 38 38 ASN C C 16 175.668 175.668 175.569 0.099 17995
6131 1 14 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.709 0.211 17995
6132 1 14 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.502 -0.644 17995
6133 1 14 . 1 1 38 38 ASN H H 16 7.561 7.561 8.002 -0.441 17995
6134 1 14 . 1 1 39 39 LEU N N 17 114.676 114.676 117.636 -2.960 17995
6135 1 14 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.182 -0.112 17995
6136 1 14 . 1 1 39 39 LEU C C 17 178.415 178.415 178.438 -0.023 17995
6137 1 14 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.661 0.083 17995
6138 1 14 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.532 1.744 17995
6139 1 14 . 1 1 39 39 LEU H H 17 8.233 8.233 7.962 0.271 17995
6140 1 14 . 1 1 40 40 GLY N N 18 109.665 109.665 106.710 2.955 17995
6141 1 14 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.882 -0.577 17995
6142 1 14 . 1 1 40 40 GLY H H 18 8.678 8.678 7.840 0.838 17995
6143 1 14 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.319 -0.191 17995
6144 1 14 . 1 1 41 41 GLU C C 19 178.328 178.328 178.084 0.244 17995
6145 1 14 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.799 1.465 17995
6146 1 14 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.850 -0.770 17995
6147 1 14 . 1 1 42 42 ARG N N 20 118.936 118.936 120.866 -1.930 17995
6148 1 14 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.068 0.107 17995
6149 1 14 . 1 1 42 42 ARG C C 20 178.912 178.912 177.624 1.288 17995
6150 1 14 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.855 -0.618 17995
6151 1 14 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.308 -0.252 17995
6152 1 14 . 1 1 42 42 ARG H H 20 7.979 7.979 7.955 0.024 17995
6153 1 14 . 1 1 43 43 LYS N N 21 119.087 119.087 116.327 2.760 17995
6154 1 14 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.140 -0.392 17995
6155 1 14 . 1 1 43 43 LYS C C 21 176.559 176.559 177.921 -1.362 17995
6156 1 14 . 1 1 43 43 LYS CA C 21 59.098 59.098 59.078 0.020 17995
6157 1 14 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.505 0.476 17995
6158 1 14 . 1 1 43 43 LYS H H 21 7.719 7.719 8.222 -0.503 17995
6159 1 14 . 1 1 44 44 HIS N N 22 115.571 115.571 118.042 -2.471 17995
6160 1 14 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.399 0.029 17995
6161 1 14 . 1 1 44 44 HIS C C 22 176.288 176.288 176.182 0.106 17995
6162 1 14 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.466 -0.682 17995
6163 1 14 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.363 0.107 17995
6164 1 14 . 1 1 44 44 HIS H H 22 7.124 7.124 7.467 -0.343 17995
6165 1 14 . 1 1 45 45 THR N N 23 107.890 107.890 112.405 -4.515 17995
6166 1 14 . 1 1 45 45 THR HA H 23 4.355 4.355 4.045 0.309 17995
6167 1 14 . 1 1 45 45 THR C C 23 174.650 174.650 175.131 -0.481 17995
6168 1 14 . 1 1 45 45 THR CA C 23 61.627 61.627 63.005 -1.378 17995
6169 1 14 . 1 1 45 45 THR CB C 23 69.475 69.475 69.251 0.224 17995
6170 1 14 . 1 1 45 45 THR H H 23 7.441 7.441 7.627 -0.186 17995
6171 1 14 . 1 1 46 46 LEU N N 24 121.435 121.435 120.276 1.159 17995
6172 1 14 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.654 -0.031 17995
6173 1 14 . 1 1 46 46 LEU C C 24 176.537 176.537 175.844 0.693 17995
6174 1 14 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.496 0.094 17995
6175 1 14 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.492 0.625 17995
6176 1 14 . 1 1 46 46 LEU H H 24 7.059 7.059 7.436 -0.377 17995
6177 1 14 . 1 1 47 47 THR N N 25 116.104 116.104 114.966 1.138 17995
6178 1 14 . 1 1 47 47 THR HA H 25 4.605 4.605 4.530 0.075 17995
6179 1 14 . 1 1 47 47 THR C C 25 175.526 175.526 175.769 -0.243 17995
6180 1 14 . 1 1 47 47 THR CA C 25 59.878 59.878 60.118 -0.240 17995
6181 1 14 . 1 1 47 47 THR CB C 25 71.752 71.752 71.167 0.585 17995
6182 1 14 . 1 1 47 47 THR H H 25 9.432 9.432 7.885 1.547 17995
6183 1 14 . 1 1 48 48 ALA N N 26 122.234 122.234 122.333 -0.099 17995
6184 1 14 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.201 -0.392 17995
6185 1 14 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.303 0.290 17995
6186 1 14 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.652 0.002 17995
6187 1 14 . 1 1 48 48 ALA H H 26 9.142 9.142 8.592 0.550 17995
6188 1 14 . 1 1 49 49 SER HA H 27 4.448 4.448 4.450 -0.002 17995
6189 1 14 . 1 1 49 49 SER C C 27 174.637 174.637 174.240 0.397 17995
6190 1 14 . 1 1 49 49 SER CA C 27 58.348 58.348 59.010 -0.661 17995
6191 1 14 . 1 1 49 49 SER CB C 27 63.704 63.704 62.835 0.869 17995
6192 1 14 . 1 1 50 50 SER N N 28 122.032 122.032 117.054 4.978 17995
6193 1 14 . 1 1 50 50 SER HA H 28 4.269 4.269 4.561 -0.292 17995
6194 1 14 . 1 1 50 50 SER C C 28 172.904 172.904 173.066 -0.162 17995
6195 1 14 . 1 1 50 50 SER CA C 28 60.846 60.846 57.171 3.675 17995
6196 1 14 . 1 1 50 50 SER CB C 28 63.063 63.063 64.880 -1.817 17995
6197 1 14 . 1 1 50 50 SER H H 28 8.157 8.157 7.413 0.744 17995
6198 1 14 . 1 1 51 51 VAL N N 29 127.079 127.079 125.126 1.953 17995
6199 1 14 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.273 0.069 17995
6200 1 14 . 1 1 51 51 VAL C C 29 176.612 176.612 175.656 0.956 17995
6201 1 14 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.802 -0.354 17995
6202 1 14 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.874 -0.649 17995
6203 1 14 . 1 1 51 51 VAL H H 29 8.505 8.505 8.521 -0.016 17995
6204 1 14 . 1 1 52 52 LEU N N 30 126.014 126.014 125.974 0.040 17995
6205 1 14 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.664 0.131 17995
6206 1 14 . 1 1 52 52 LEU C C 30 176.569 176.569 176.715 -0.146 17995
6207 1 14 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.581 -1.049 17995
6208 1 14 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.906 -1.902 17995
6209 1 14 . 1 1 52 52 LEU H H 30 7.954 7.954 8.505 -0.551 17995
6210 1 14 . 1 1 53 53 LEU N N 31 122.601 122.601 120.714 1.887 17995
6211 1 14 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.987 0.099 17995
6212 1 14 . 1 1 53 53 LEU C C 31 177.683 177.683 177.368 0.315 17995
6213 1 14 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.951 0.423 17995
6214 1 14 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.881 -0.062 17995
6215 1 14 . 1 1 53 53 LEU H H 31 7.777 7.777 7.890 -0.113 17995
6216 1 14 . 1 1 54 54 GLY N N 32 114.941 114.941 115.292 -0.351 17995
6217 1 14 . 1 1 54 54 GLY C C 32 173.612 173.612 174.248 -0.636 17995
6218 1 14 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.626 -0.068 17995
6219 1 14 . 1 1 54 54 GLY H H 32 9.121 9.121 9.012 0.109 17995
6220 1 14 . 1 1 55 55 ASN N N 33 117.901 117.901 120.325 -2.424 17995
6221 1 14 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.809 0.121 17995
6222 1 14 . 1 1 55 55 ASN C C 33 174.458 174.458 175.766 -1.308 17995
6223 1 14 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.099 -0.280 17995
6224 1 14 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.672 1.875 17995
6225 1 14 . 1 1 55 55 ASN H H 33 7.789 7.789 7.844 -0.055 17995
6226 1 14 . 1 1 56 56 ILE N N 34 120.163 120.163 122.106 -1.943 17995
6227 1 14 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.465 0.072 17995
6228 1 14 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.851 0.150 17995
6229 1 14 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.348 1.745 17995
6230 1 14 . 1 1 56 56 ILE H H 34 7.703 7.703 8.150 -0.447 17995
6231 1 14 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.474 -0.301 17995
6232 1 14 . 1 1 57 57 PRO C C 35 177.969 177.969 176.788 1.181 17995
6233 1 14 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.166 1.110 17995
6234 1 14 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.996 -0.062 17995
6235 1 14 . 1 1 58 58 GLU N N 36 116.701 116.701 116.650 0.051 17995
6236 1 14 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.424 -0.452 17995
6237 1 14 . 1 1 58 58 GLU C C 36 176.612 176.612 175.315 1.297 17995
6238 1 14 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.137 3.210 17995
6239 1 14 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.498 0.334 17995
6240 1 14 . 1 1 58 58 GLU H H 36 9.581 9.581 8.261 1.320 17995
6241 1 14 . 1 1 59 59 LEU N N 37 121.189 121.189 124.113 -2.924 17995
6242 1 14 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.294 0.018 17995
6243 1 14 . 1 1 59 59 LEU C C 37 173.353 173.353 175.768 -2.415 17995
6244 1 14 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.770 -1.492 17995
6245 1 14 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.509 0.490 17995
6246 1 14 . 1 1 59 59 LEU H H 37 7.560 7.560 7.302 0.258 17995
6247 1 14 . 1 1 60 60 ASP N N 38 126.468 126.468 124.463 2.005 17995
6248 1 14 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.734 -0.019 17995
6249 1 14 . 1 1 60 60 ASP C C 38 175.828 175.828 176.766 -0.938 17995
6250 1 14 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.034 -1.114 17995
6251 1 14 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.020 -0.465 17995
6252 1 14 . 1 1 60 60 ASP H H 38 7.527 7.527 7.635 -0.108 17995
6253 1 14 . 1 1 61 61 SER N N 39 113.128 113.128 114.229 -1.101 17995
6254 1 14 . 1 1 61 61 SER HA H 39 4.019 4.019 4.158 -0.139 17995
6255 1 14 . 1 1 61 61 SER C C 39 175.854 175.854 176.797 -0.943 17995
6256 1 14 . 1 1 61 61 SER CA C 39 61.276 61.276 61.393 -0.117 17995
6257 1 14 . 1 1 61 61 SER CB C 39 65.520 65.520 62.951 2.569 17995
6258 1 14 . 1 1 61 61 SER H H 39 8.623 8.623 8.369 0.254 17995
6259 1 14 . 1 1 62 62 MET N N 40 121.706 121.706 118.918 2.788 17995
6260 1 14 . 1 1 62 62 MET HA H 40 4.303 4.303 4.350 -0.047 17995
6261 1 14 . 1 1 62 62 MET C C 40 177.755 177.755 178.228 -0.473 17995
6262 1 14 . 1 1 62 62 MET CA C 40 57.714 57.714 56.024 1.690 17995
6263 1 14 . 1 1 62 62 MET CB C 40 32.386 32.386 31.177 1.209 17995
6264 1 14 . 1 1 62 62 MET H H 40 7.802 7.802 8.043 -0.241 17995
6265 1 14 . 1 1 63 63 ALA N N 41 124.277 124.277 122.786 1.491 17995
6266 1 14 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.074 0.097 17995
6267 1 14 . 1 1 63 63 ALA C C 41 179.893 179.893 179.316 0.577 17995
6268 1 14 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.151 -0.050 17995
6269 1 14 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.019 1.637 17995
6270 1 14 . 1 1 63 63 ALA H H 41 8.295 8.295 7.783 0.512 17995
6271 1 14 . 1 1 64 64 VAL N N 42 118.186 118.186 115.277 2.909 17995
6272 1 14 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.247 -0.254 17995
6273 1 14 . 1 1 64 64 VAL C C 42 177.327 177.327 177.447 -0.120 17995
6274 1 14 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.665 1.647 17995
6275 1 14 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.253 -0.061 17995
6276 1 14 . 1 1 64 64 VAL H H 42 8.019 8.019 7.586 0.433 17995
6277 1 14 . 1 1 65 65 VAL N N 43 118.361 118.361 120.524 -2.163 17995
6278 1 14 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.467 0.097 17995
6279 1 14 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995
6280 1 14 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.491 0.066 17995
6281 1 14 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.253 0.247 17995
6282 1 14 . 1 1 65 65 VAL H H 43 6.942 6.942 7.184 -0.242 17995
6283 1 14 . 1 1 66 66 ASN N N 44 119.476 119.476 118.708 0.768 17995
6284 1 14 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995
6285 1 14 . 1 1 66 66 ASN C C 44 178.760 178.760 178.064 0.696 17995
6286 1 14 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.279 -0.443 17995
6287 1 14 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.281 -0.474 17995
6288 1 14 . 1 1 66 66 ASN H H 44 7.789 7.789 8.030 -0.241 17995
6289 1 14 . 1 1 67 67 VAL N N 45 124.029 124.029 117.956 6.073 17995
6290 1 14 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.990 -0.372 17995
6291 1 14 . 1 1 67 67 VAL C C 45 177.100 177.100 177.619 -0.519 17995
6292 1 14 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.838 1.528 17995
6293 1 14 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.358 0.102 17995
6294 1 14 . 1 1 67 67 VAL H H 45 9.055 9.055 7.761 1.294 17995
6295 1 14 . 1 1 68 68 ILE N N 46 121.006 121.006 122.246 -1.240 17995
6296 1 14 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.773 0.015 17995
6297 1 14 . 1 1 68 68 ILE C C 46 177.871 177.871 177.953 -0.082 17995
6298 1 14 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.885 -0.623 17995
6299 1 14 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.407 -1.240 17995
6300 1 14 . 1 1 68 68 ILE H H 46 8.509 8.509 7.792 0.717 17995
6301 1 14 . 1 1 69 69 THR N N 47 116.096 116.096 115.639 0.457 17995
6302 1 14 . 1 1 69 69 THR HA H 47 4.391 4.391 3.923 0.468 17995
6303 1 14 . 1 1 69 69 THR C C 47 176.365 176.365 176.345 0.020 17995
6304 1 14 . 1 1 69 69 THR CA C 47 66.256 66.256 66.584 -0.328 17995
6305 1 14 . 1 1 69 69 THR CB C 47 69.098 69.098 68.332 0.766 17995
6306 1 14 . 1 1 69 69 THR H H 47 8.512 8.512 7.807 0.705 17995
6307 1 14 . 1 1 70 70 ALA N N 48 123.948 123.948 124.693 -0.745 17995
6308 1 14 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.111 0.192 17995
6309 1 14 . 1 1 70 70 ALA C C 48 181.452 181.452 179.778 1.674 17995
6310 1 14 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.349 -0.166 17995
6311 1 14 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.192 1.230 17995
6312 1 14 . 1 1 70 70 ALA H H 48 7.802 7.802 8.037 -0.235 17995
6313 1 14 . 1 1 71 71 LEU N N 49 121.199 121.199 119.081 2.118 17995
6314 1 14 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.300 -0.077 17995
6315 1 14 . 1 1 71 71 LEU C C 49 178.192 178.192 179.654 -1.462 17995
6316 1 14 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.420 0.141 17995
6317 1 14 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.926 1.525 17995
6318 1 14 . 1 1 71 71 LEU H H 49 8.802 8.802 8.167 0.635 17995
6319 1 14 . 1 1 72 72 GLU N N 50 119.782 119.782 118.404 1.378 17995
6320 1 14 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.886 -0.396 17995
6321 1 14 . 1 1 72 72 GLU C C 50 180.303 180.303 179.886 0.417 17995
6322 1 14 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.128 0.723 17995
6323 1 14 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.841 2.267 17995
6324 1 14 . 1 1 72 72 GLU H H 50 8.762 8.762 8.052 0.710 17995
6325 1 14 . 1 1 73 73 GLU N N 51 116.902 116.902 119.253 -2.351 17995
6326 1 14 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.105 -0.053 17995
6327 1 14 . 1 1 73 73 GLU C C 51 178.334 178.334 179.020 -0.686 17995
6328 1 14 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.481 0.137 17995
6329 1 14 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.334 0.748 17995
6330 1 14 . 1 1 73 73 GLU H H 51 7.953 7.953 7.849 0.104 17995
6331 1 14 . 1 1 74 74 TYR N N 52 119.999 119.999 117.134 2.865 17995
6332 1 14 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.339 -0.457 17995
6333 1 14 . 1 1 74 74 TYR C C 52 177.384 177.384 177.964 -0.580 17995
6334 1 14 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.874 0.726 17995
6335 1 14 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.693 0.952 17995
6336 1 14 . 1 1 74 74 TYR H H 52 8.078 8.078 7.983 0.095 17995
6337 1 14 . 1 1 75 75 PHE N N 53 113.650 113.650 115.149 -1.499 17995
6338 1 14 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.602 -0.416 17995
6339 1 14 . 1 1 75 75 PHE C C 53 174.485 174.485 175.099 -0.614 17995
6340 1 14 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.913 0.331 17995
6341 1 14 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.390 0.650 17995
6342 1 14 . 1 1 75 75 PHE H H 53 8.244 8.244 8.113 0.131 17995
6343 1 14 . 1 1 76 76 ASP N N 54 119.712 119.712 117.055 2.657 17995
6344 1 14 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.487 -0.107 17995
6345 1 14 . 1 1 76 76 ASP C C 54 174.118 174.118 175.577 -1.459 17995
6346 1 14 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.684 -0.822 17995
6347 1 14 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.156 -0.000 17995
6348 1 14 . 1 1 76 76 ASP H H 54 7.596 7.596 8.031 -0.435 17995
6349 1 14 . 1 1 77 77 PHE N N 55 113.804 113.804 114.317 -0.513 17995
6350 1 14 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.977 0.098 17995
6351 1 14 . 1 1 77 77 PHE C C 55 174.384 174.384 173.809 0.575 17995
6352 1 14 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.565 -1.129 17995
6353 1 14 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.604 -0.974 17995
6354 1 14 . 1 1 77 77 PHE H H 55 7.725 7.725 8.080 -0.355 17995
6355 1 14 . 1 1 78 78 SER N N 56 114.319 114.319 115.195 -0.876 17995
6356 1 14 . 1 1 78 78 SER HA H 56 5.149 5.149 4.530 0.619 17995
6357 1 14 . 1 1 78 78 SER C C 56 174.100 174.100 173.362 0.738 17995
6358 1 14 . 1 1 78 78 SER CA C 56 56.800 56.800 55.816 0.984 17995
6359 1 14 . 1 1 78 78 SER CB C 56 65.011 65.011 64.493 0.518 17995
6360 1 14 . 1 1 78 78 SER H H 56 8.727 8.727 8.156 0.571 17995
6361 1 14 . 1 1 79 79 VAL N N 57 128.316 128.316 128.026 0.290 17995
6362 1 14 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.074 0.170 17995
6363 1 14 . 1 1 79 79 VAL C C 57 175.637 175.637 175.707 -0.070 17995
6364 1 14 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.307 -0.553 17995
6365 1 14 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.435 0.438 17995
6366 1 14 . 1 1 79 79 VAL H H 57 10.222 10.222 8.165 2.057 17995
6367 1 14 . 1 1 80 80 ASP N N 58 130.058 130.058 126.779 3.279 17995
6368 1 14 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.584 0.262 17995
6369 1 14 . 1 1 80 80 ASP C C 58 177.205 177.205 176.924 0.281 17995
6370 1 14 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.331 -0.855 17995
6371 1 14 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.636 -0.971 17995
6372 1 14 . 1 1 80 80 ASP H H 58 9.396 9.396 8.257 1.139 17995
6373 1 14 . 1 1 81 81 ASP N N 59 122.564 122.564 122.640 -0.076 17995
6374 1 14 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.386 -0.106 17995
6375 1 14 . 1 1 81 81 ASP C C 59 177.291 177.291 176.802 0.489 17995
6376 1 14 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.667 0.793 17995
6377 1 14 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.121 -0.391 17995
6378 1 14 . 1 1 81 81 ASP H H 59 8.696 8.696 8.737 -0.041 17995
6379 1 14 . 1 1 82 82 ASP N N 60 115.817 115.817 117.461 -1.644 17995
6380 1 14 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.523 0.036 17995
6381 1 14 . 1 1 82 82 ASP C C 60 176.939 176.939 177.266 -0.327 17995
6382 1 14 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.933 -1.072 17995
6383 1 14 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.243 -0.828 17995
6384 1 14 . 1 1 82 82 ASP H H 60 8.460 8.460 8.099 0.361 17995
6385 1 14 . 1 1 83 83 GLU N N 61 118.478 118.478 117.586 0.892 17995
6386 1 14 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.521 -0.220 17995
6387 1 14 . 1 1 83 83 GLU C C 61 175.841 175.841 177.209 -1.368 17995
6388 1 14 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.491 0.813 17995
6389 1 14 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.993 0.498 17995
6390 1 14 . 1 1 83 83 GLU H H 61 7.903 7.903 7.724 0.179 17995
6391 1 14 . 1 1 84 84 ILE N N 62 117.759 117.759 123.495 -5.736 17995
6392 1 14 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.864 0.301 17995
6393 1 14 . 1 1 84 84 ILE C C 62 174.069 174.069 175.161 -1.092 17995
6394 1 14 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.364 -2.870 17995
6395 1 14 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.878 2.257 17995
6396 1 14 . 1 1 84 84 ILE H H 62 7.396 7.396 7.580 -0.184 17995
6397 1 14 . 1 1 85 85 SER N N 63 119.980 119.980 122.092 -2.112 17995
6398 1 14 . 1 1 85 85 SER HA H 63 4.789 4.789 4.738 0.051 17995
6399 1 14 . 1 1 85 85 SER CA C 63 56.772 56.772 56.317 0.455 17995
6400 1 14 . 1 1 85 85 SER CB C 63 66.916 66.916 66.101 0.815 17995
6401 1 14 . 1 1 85 85 SER H H 63 8.384 8.384 8.230 0.154 17995
6402 1 14 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.398 -0.371 17995
6403 1 14 . 1 1 86 86 ALA C C 64 180.211 180.211 179.781 0.430 17995
6404 1 14 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.420 1.081 17995
6405 1 14 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.856 -0.846 17995
6406 1 14 . 1 1 87 87 GLN N N 65 116.123 116.123 115.675 0.448 17995
6407 1 14 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.240 -0.175 17995
6408 1 14 . 1 1 87 87 GLN C C 65 178.564 178.564 177.061 1.503 17995
6409 1 14 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.164 1.575 17995
6410 1 14 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.063 0.380 17995
6411 1 14 . 1 1 87 87 GLN H H 65 7.990 7.990 7.774 0.216 17995
6412 1 14 . 1 1 88 88 THR N N 66 119.153 119.153 114.834 4.319 17995
6413 1 14 . 1 1 88 88 THR HA H 66 3.631 3.631 3.893 -0.262 17995
6414 1 14 . 1 1 88 88 THR C C 66 174.748 174.748 174.377 0.371 17995
6415 1 14 . 1 1 88 88 THR CA C 66 66.591 66.591 64.963 1.628 17995
6416 1 14 . 1 1 88 88 THR CB C 66 68.702 68.702 68.780 -0.078 17995
6417 1 14 . 1 1 88 88 THR H H 66 7.738 7.738 7.245 0.493 17995
6418 1 14 . 1 1 89 89 PHE N N 67 115.088 115.088 116.660 -1.572 17995
6419 1 14 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.596 -0.359 17995
6420 1 14 . 1 1 89 89 PHE C C 67 173.600 173.600 177.079 -3.479 17995
6421 1 14 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.758 -0.236 17995
6422 1 14 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.828 0.878 17995
6423 1 14 . 1 1 89 89 PHE H H 67 7.180 7.180 7.513 -0.333 17995
6424 1 14 . 1 1 90 90 GLU N N 68 122.222 122.222 119.976 2.246 17995
6425 1 14 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.109 0.058 17995
6426 1 14 . 1 1 90 90 GLU C C 68 178.581 178.581 176.654 1.927 17995
6427 1 14 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.158 1.568 17995
6428 1 14 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.647 1.101 17995
6429 1 14 . 1 1 90 90 GLU H H 68 7.421 7.421 8.421 -1.000 17995
6430 1 14 . 1 1 91 91 THR N N 69 106.383 106.383 107.235 -0.852 17995
6431 1 14 . 1 1 91 91 THR HA H 69 5.477 5.477 4.857 0.620 17995
6432 1 14 . 1 1 91 91 THR C C 69 174.775 174.775 174.464 0.311 17995
6433 1 14 . 1 1 91 91 THR CA C 69 58.798 58.798 59.020 -0.222 17995
6434 1 14 . 1 1 91 91 THR CB C 69 74.841 74.841 72.941 1.900 17995
6435 1 14 . 1 1 91 91 THR H H 69 8.534 8.534 7.247 1.287 17995
6436 1 14 . 1 1 92 92 LEU N N 70 120.326 120.326 122.648 -2.322 17995
6437 1 14 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.077 0.066 17995
6438 1 14 . 1 1 92 92 LEU C C 70 178.174 178.174 178.240 -0.066 17995
6439 1 14 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.454 0.812 17995
6440 1 14 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.935 -1.065 17995
6441 1 14 . 1 1 92 92 LEU H H 70 7.991 7.991 8.432 -0.441 17995
6442 1 14 . 1 1 93 93 GLY N N 71 106.588 106.588 105.696 0.892 17995
6443 1 14 . 1 1 93 93 GLY C C 71 175.300 175.300 176.072 -0.772 17995
6444 1 14 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.501 -0.164 17995
6445 1 14 . 1 1 93 93 GLY H H 71 9.019 9.019 8.369 0.650 17995
6446 1 14 . 1 1 94 94 SER N N 72 120.200 120.200 118.567 1.633 17995
6447 1 14 . 1 1 94 94 SER HA H 72 4.090 4.090 4.313 -0.223 17995
6448 1 14 . 1 1 94 94 SER C C 72 177.631 177.631 176.763 0.868 17995
6449 1 14 . 1 1 94 94 SER CA C 72 62.329 62.329 61.967 0.362 17995
6450 1 14 . 1 1 94 94 SER H H 72 8.709 8.709 7.426 1.283 17995
6451 1 14 . 1 1 95 95 LEU N N 73 129.169 129.169 121.305 7.864 17995
6452 1 14 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.848 0.392 17995
6453 1 14 . 1 1 95 95 LEU C C 73 176.439 176.439 178.876 -2.437 17995
6454 1 14 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.214 0.588 17995
6455 1 14 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.207 1.652 17995
6456 1 14 . 1 1 95 95 LEU H H 73 7.800 7.800 7.427 0.373 17995
6457 1 14 . 1 1 96 96 ALA N N 74 121.721 121.721 122.398 -0.677 17995
6458 1 14 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.917 0.072 17995
6459 1 14 . 1 1 96 96 ALA C C 74 180.456 180.456 179.843 0.613 17995
6460 1 14 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.107 0.595 17995
6461 1 14 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.296 -0.580 17995
6462 1 14 . 1 1 96 96 ALA H H 74 8.612 8.612 7.999 0.613 17995
6463 1 14 . 1 1 97 97 LEU N N 75 122.095 122.095 119.249 2.846 17995
6464 1 14 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.778 0.279 17995
6465 1 14 . 1 1 97 97 LEU C C 75 178.805 178.805 178.927 -0.122 17995
6466 1 14 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.609 0.160 17995
6467 1 14 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.168 1.654 17995
6468 1 14 . 1 1 97 97 LEU H H 75 8.777 8.777 8.045 0.732 17995
6469 1 14 . 1 1 98 98 PHE N N 76 122.741 122.741 117.651 5.090 17995
6470 1 14 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.024 0.238 17995
6471 1 14 . 1 1 98 98 PHE C C 76 176.878 176.878 178.554 -1.676 17995
6472 1 14 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.254 -1.022 17995
6473 1 14 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.462 0.087 17995
6474 1 14 . 1 1 98 98 PHE H H 76 7.889 7.889 7.889 -0.000 17995
6475 1 14 . 1 1 99 99 VAL N N 77 119.641 119.641 115.061 4.580 17995
6476 1 14 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.279 -0.501 17995
6477 1 14 . 1 1 99 99 VAL C C 77 176.414 176.414 177.880 -1.466 17995
6478 1 14 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.757 1.211 17995
6479 1 14 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.824 0.362 17995
6480 1 14 . 1 1 99 99 VAL H H 77 7.599 7.599 7.972 -0.373 17995
6481 1 14 . 1 1 100 100 GLU N N 78 118.850 118.850 121.661 -2.811 17995
6482 1 14 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.227 -0.454 17995
6483 1 14 . 1 1 100 100 GLU C C 78 179.007 179.007 179.218 -0.211 17995
6484 1 14 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.170 0.370 17995
6485 1 14 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.038 0.740 17995
6486 1 14 . 1 1 100 100 GLU H H 78 7.740 7.740 8.180 -0.440 17995
6487 1 14 . 1 1 101 101 HIS N N 79 120.328 120.328 117.838 2.490 17995
6488 1 14 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.427 -0.226 17995
6489 1 14 . 1 1 101 101 HIS C C 79 178.242 178.242 177.962 0.280 17995
6490 1 14 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.451 0.787 17995
6491 1 14 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.926 0.012 17995
6492 1 14 . 1 1 101 101 HIS H H 79 8.354 8.354 7.656 0.698 17995
6493 1 14 . 1 1 102 102 LYS N N 80 121.044 121.044 119.187 1.857 17995
6494 1 14 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.286 -0.719 17995
6495 1 14 . 1 1 102 102 LYS C C 80 179.199 179.199 178.187 1.012 17995
6496 1 14 . 1 1 102 102 LYS CA C 80 56.987 56.987 57.608 -0.621 17995
6497 1 14 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.962 -1.786 17995
6498 1 14 . 1 1 102 102 LYS H H 80 7.908 7.908 7.916 -0.008 17995
6499 1 14 . 1 1 103 103 LEU N N 81 118.698 118.698 118.796 -0.098 17995
6500 1 14 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.273 -0.115 17995
6501 1 14 . 1 1 103 103 LEU C C 81 178.593 178.593 178.823 -0.230 17995
6502 1 14 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.827 0.569 17995
6503 1 14 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.171 1.138 17995
6504 1 14 . 1 1 103 103 LEU H H 81 7.784 7.784 7.598 0.186 17995
6505 1 14 . 1 1 104 104 SER N N 82 114.826 114.826 113.617 1.209 17995
6506 1 14 . 1 1 104 104 SER HA H 82 4.358 4.358 4.296 0.062 17995
6507 1 14 . 1 1 104 104 SER C C 82 174.810 174.810 174.334 0.476 17995
6508 1 14 . 1 1 104 104 SER CA C 82 59.567 59.567 60.112 -0.545 17995
6509 1 14 . 1 1 104 104 SER CB C 82 63.859 63.859 63.873 -0.014 17995
6510 1 14 . 1 1 104 104 SER H H 82 7.738 7.738 7.918 -0.180 17995
6511 1 15 . 1 1 24 24 GLN N N 2 121.730 121.730 122.605 -0.875 17995
6512 1 15 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.420 -0.458 17995
6513 1 15 . 1 1 24 24 GLN C C 2 177.291 177.291 177.546 -0.255 17995
6514 1 15 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.132 1.259 17995
6515 1 15 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.387 -0.677 17995
6516 1 15 . 1 1 24 24 GLN H H 2 8.511 8.511 9.008 -0.497 17995
6517 1 15 . 1 1 25 25 HIS N N 3 116.878 116.878 120.404 -3.526 17995
6518 1 15 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.601 0.502 17995
6519 1 15 . 1 1 25 25 HIS C C 3 175.501 175.501 177.302 -1.801 17995
6520 1 15 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.518 -1.171 17995
6521 1 15 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.935 0.692 17995
6522 1 15 . 1 1 25 25 HIS H H 3 8.216 8.216 8.406 -0.190 17995
6523 1 15 . 1 1 26 26 LEU N N 4 121.540 121.540 119.068 2.472 17995
6524 1 15 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.139 -0.446 17995
6525 1 15 . 1 1 26 26 LEU C C 4 177.649 177.649 178.297 -0.648 17995
6526 1 15 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.172 1.531 17995
6527 1 15 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.061 1.274 17995
6528 1 15 . 1 1 26 26 LEU H H 4 7.447 7.447 8.124 -0.677 17995
6529 1 15 . 1 1 27 27 GLU N N 5 118.441 118.441 120.077 -1.636 17995
6530 1 15 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.926 -0.035 17995
6531 1 15 . 1 1 27 27 GLU C C 5 178.162 178.162 178.406 -0.244 17995
6532 1 15 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.309 0.314 17995
6533 1 15 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.570 -0.493 17995
6534 1 15 . 1 1 27 27 GLU H H 5 8.561 8.561 7.818 0.743 17995
6535 1 15 . 1 1 28 28 ALA N N 6 122.005 122.005 121.950 0.055 17995
6536 1 15 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.148 -0.016 17995
6537 1 15 . 1 1 28 28 ALA C C 6 180.421 180.421 179.971 0.450 17995
6538 1 15 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.726 0.553 17995
6539 1 15 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.101 0.665 17995
6540 1 15 . 1 1 28 28 ALA H H 6 8.205 8.205 7.614 0.591 17995
6541 1 15 . 1 1 29 29 VAL N N 7 116.985 116.985 119.515 -2.530 17995
6542 1 15 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.695 -0.186 17995
6543 1 15 . 1 1 29 29 VAL C C 7 177.034 177.034 177.695 -0.661 17995
6544 1 15 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.921 0.442 17995
6545 1 15 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.690 -0.251 17995
6546 1 15 . 1 1 29 29 VAL H H 7 8.392 8.392 8.145 0.247 17995
6547 1 15 . 1 1 30 30 ARG N N 8 121.674 121.674 119.143 2.531 17995
6548 1 15 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.007 -0.343 17995
6549 1 15 . 1 1 30 30 ARG C C 8 177.810 177.810 178.281 -0.471 17995
6550 1 15 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.328 1.197 17995
6551 1 15 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.421 1.245 17995
6552 1 15 . 1 1 30 30 ARG H H 8 8.784 8.784 8.249 0.535 17995
6553 1 15 . 1 1 31 31 ASN N N 9 118.102 118.102 118.662 -0.560 17995
6554 1 15 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.509 -0.225 17995
6555 1 15 . 1 1 31 31 ASN C C 9 177.890 177.890 177.316 0.574 17995
6556 1 15 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.997 0.257 17995
6557 1 15 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.133 -0.545 17995
6558 1 15 . 1 1 31 31 ASN H H 9 8.144 8.144 7.829 0.315 17995
6559 1 15 . 1 1 32 32 ILE N N 10 123.614 123.614 120.312 3.302 17995
6560 1 15 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.469 0.323 17995
6561 1 15 . 1 1 32 32 ILE C C 10 177.810 177.810 177.723 0.087 17995
6562 1 15 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.150 0.108 17995
6563 1 15 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.946 0.788 17995
6564 1 15 . 1 1 32 32 ILE H H 10 8.137 8.137 7.656 0.481 17995
6565 1 15 . 1 1 33 33 LEU N N 11 119.797 119.797 119.783 0.014 17995
6566 1 15 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.987 -0.201 17995
6567 1 15 . 1 1 33 33 LEU C C 11 179.039 179.039 179.532 -0.493 17995
6568 1 15 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.947 0.763 17995
6569 1 15 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.321 0.755 17995
6570 1 15 . 1 1 33 33 LEU H H 11 8.637 8.637 8.226 0.411 17995
6571 1 15 . 1 1 34 34 GLY N N 12 103.682 103.682 105.917 -2.235 17995
6572 1 15 . 1 1 34 34 GLY C C 12 175.242 175.242 175.710 -0.468 17995
6573 1 15 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.696 1.022 17995
6574 1 15 . 1 1 34 34 GLY H H 12 8.513 8.513 8.275 0.238 17995
6575 1 15 . 1 1 35 35 ASP N N 13 122.235 122.235 121.916 0.319 17995
6576 1 15 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.541 0.044 17995
6577 1 15 . 1 1 35 35 ASP C C 13 179.013 179.013 178.104 0.909 17995
6578 1 15 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.797 0.119 17995
6579 1 15 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.223 -0.177 17995
6580 1 15 . 1 1 35 35 ASP H H 13 7.968 7.968 7.724 0.244 17995
6581 1 15 . 1 1 36 36 VAL N N 14 120.841 120.841 118.746 2.095 17995
6582 1 15 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.898 -0.221 17995
6583 1 15 . 1 1 36 36 VAL C C 14 177.797 177.797 177.838 -0.041 17995
6584 1 15 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.287 0.716 17995
6585 1 15 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.063 0.168 17995
6586 1 15 . 1 1 36 36 VAL H H 14 8.765 8.765 8.023 0.742 17995
6587 1 15 . 1 1 37 37 LEU N N 15 114.630 114.630 115.117 -0.487 17995
6588 1 15 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995
6589 1 15 . 1 1 37 37 LEU C C 15 175.483 175.483 176.205 -0.722 17995
6590 1 15 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.689 -0.519 17995
6591 1 15 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.002 -1.308 17995
6592 1 15 . 1 1 37 37 LEU H H 15 7.942 7.942 7.747 0.195 17995
6593 1 15 . 1 1 38 38 ASN N N 16 116.887 116.887 115.922 0.965 17995
6594 1 15 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.529 0.005 17995
6595 1 15 . 1 1 38 38 ASN C C 16 175.668 175.668 175.025 0.643 17995
6596 1 15 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.416 0.503 17995
6597 1 15 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.824 -0.966 17995
6598 1 15 . 1 1 38 38 ASN H H 16 7.561 7.561 8.015 -0.454 17995
6599 1 15 . 1 1 39 39 LEU N N 17 114.676 114.676 118.163 -3.487 17995
6600 1 15 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.208 -0.138 17995
6601 1 15 . 1 1 39 39 LEU C C 17 178.415 178.415 178.382 0.033 17995
6602 1 15 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.227 -0.483 17995
6603 1 15 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.222 1.054 17995
6604 1 15 . 1 1 39 39 LEU H H 17 8.233 8.233 7.733 0.500 17995
6605 1 15 . 1 1 40 40 GLY N N 18 109.665 109.665 107.187 2.478 17995
6606 1 15 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.976 -0.671 17995
6607 1 15 . 1 1 40 40 GLY H H 18 8.678 8.678 7.861 0.817 17995
6608 1 15 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.256 -0.128 17995
6609 1 15 . 1 1 41 41 GLU C C 19 178.328 178.328 178.331 -0.003 17995
6610 1 15 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.005 1.259 17995
6611 1 15 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.717 -0.637 17995
6612 1 15 . 1 1 42 42 ARG N N 20 118.936 118.936 121.653 -2.717 17995
6613 1 15 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.173 0.002 17995
6614 1 15 . 1 1 42 42 ARG C C 20 178.912 178.912 177.635 1.277 17995
6615 1 15 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.235 0.002 17995
6616 1 15 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.259 -0.203 17995
6617 1 15 . 1 1 42 42 ARG H H 20 7.979 7.979 7.987 -0.008 17995
6618 1 15 . 1 1 43 43 LYS N N 21 119.087 119.087 115.229 3.858 17995
6619 1 15 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.107 -0.359 17995
6620 1 15 . 1 1 43 43 LYS C C 21 176.559 176.559 177.920 -1.361 17995
6621 1 15 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.704 0.394 17995
6622 1 15 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.619 0.362 17995
6623 1 15 . 1 1 43 43 LYS H H 21 7.719 7.719 8.153 -0.434 17995
6624 1 15 . 1 1 44 44 HIS N N 22 115.571 115.571 118.374 -2.803 17995
6625 1 15 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.639 -0.211 17995
6626 1 15 . 1 1 44 44 HIS C C 22 176.288 176.288 176.330 -0.042 17995
6627 1 15 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.132 -0.348 17995
6628 1 15 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.007 -0.537 17995
6629 1 15 . 1 1 44 44 HIS H H 22 7.124 7.124 7.846 -0.722 17995
6630 1 15 . 1 1 45 45 THR N N 23 107.890 107.890 114.775 -6.885 17995
6631 1 15 . 1 1 45 45 THR HA H 23 4.355 4.355 4.162 0.193 17995
6632 1 15 . 1 1 45 45 THR C C 23 174.650 174.650 174.716 -0.066 17995
6633 1 15 . 1 1 45 45 THR CA C 23 61.627 61.627 63.275 -1.648 17995
6634 1 15 . 1 1 45 45 THR CB C 23 69.475 69.475 69.014 0.461 17995
6635 1 15 . 1 1 45 45 THR H H 23 7.441 7.441 7.517 -0.076 17995
6636 1 15 . 1 1 46 46 LEU N N 24 121.435 121.435 119.276 2.159 17995
6637 1 15 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.775 -0.152 17995
6638 1 15 . 1 1 46 46 LEU C C 24 176.537 176.537 175.340 1.197 17995
6639 1 15 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.291 1.299 17995
6640 1 15 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.602 -0.485 17995
6641 1 15 . 1 1 46 46 LEU H H 24 7.059 7.059 7.266 -0.207 17995
6642 1 15 . 1 1 47 47 THR N N 25 116.104 116.104 114.062 2.042 17995
6643 1 15 . 1 1 47 47 THR HA H 25 4.605 4.605 4.516 0.089 17995
6644 1 15 . 1 1 47 47 THR C C 25 175.526 175.526 175.070 0.456 17995
6645 1 15 . 1 1 47 47 THR CA C 25 59.878 59.878 59.808 0.070 17995
6646 1 15 . 1 1 47 47 THR CB C 25 71.752 71.752 71.564 0.188 17995
6647 1 15 . 1 1 47 47 THR H H 25 9.432 9.432 7.868 1.564 17995
6648 1 15 . 1 1 48 48 ALA N N 26 122.234 122.234 120.854 1.380 17995
6649 1 15 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.105 -0.296 17995
6650 1 15 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.103 0.490 17995
6651 1 15 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.607 0.047 17995
6652 1 15 . 1 1 48 48 ALA H H 26 9.142 9.142 8.591 0.551 17995
6653 1 15 . 1 1 49 49 SER HA H 27 4.448 4.448 4.340 0.108 17995
6654 1 15 . 1 1 49 49 SER C C 27 174.637 174.637 174.992 -0.355 17995
6655 1 15 . 1 1 49 49 SER CA C 27 58.348 58.348 59.634 -1.286 17995
6656 1 15 . 1 1 49 49 SER CB C 27 63.704 63.704 63.405 0.299 17995
6657 1 15 . 1 1 50 50 SER N N 28 122.032 122.032 118.850 3.182 17995
6658 1 15 . 1 1 50 50 SER HA H 28 4.269 4.269 4.327 -0.058 17995
6659 1 15 . 1 1 50 50 SER C C 28 172.904 172.904 174.258 -1.354 17995
6660 1 15 . 1 1 50 50 SER CA C 28 60.846 60.846 58.661 2.185 17995
6661 1 15 . 1 1 50 50 SER CB C 28 63.063 63.063 63.672 -0.609 17995
6662 1 15 . 1 1 50 50 SER H H 28 8.157 8.157 7.562 0.595 17995
6663 1 15 . 1 1 51 51 VAL N N 29 127.079 127.079 123.861 3.218 17995
6664 1 15 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.085 0.257 17995
6665 1 15 . 1 1 51 51 VAL C C 29 176.612 176.612 175.496 1.116 17995
6666 1 15 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.305 -0.857 17995
6667 1 15 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.227 -0.002 17995
6668 1 15 . 1 1 51 51 VAL H H 29 8.505 8.505 8.401 0.104 17995
6669 1 15 . 1 1 52 52 LEU N N 30 126.014 126.014 122.659 3.355 17995
6670 1 15 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.647 0.148 17995
6671 1 15 . 1 1 52 52 LEU C C 30 176.569 176.569 177.491 -0.922 17995
6672 1 15 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.331 -0.799 17995
6673 1 15 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.470 -2.466 17995
6674 1 15 . 1 1 52 52 LEU H H 30 7.954 7.954 8.165 -0.211 17995
6675 1 15 . 1 1 53 53 LEU N N 31 122.601 122.601 119.423 3.178 17995
6676 1 15 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.971 0.115 17995
6677 1 15 . 1 1 53 53 LEU C C 31 177.683 177.683 177.886 -0.203 17995
6678 1 15 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.575 0.799 17995
6679 1 15 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.063 0.756 17995
6680 1 15 . 1 1 53 53 LEU H H 31 7.777 7.777 7.589 0.188 17995
6681 1 15 . 1 1 54 54 GLY N N 32 114.941 114.941 113.760 1.181 17995
6682 1 15 . 1 1 54 54 GLY C C 32 173.612 173.612 174.222 -0.610 17995
6683 1 15 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.448 0.110 17995
6684 1 15 . 1 1 54 54 GLY H H 32 9.121 9.121 8.736 0.385 17995
6685 1 15 . 1 1 55 55 ASN N N 33 117.901 117.901 119.955 -2.054 17995
6686 1 15 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.774 0.156 17995
6687 1 15 . 1 1 55 55 ASN C C 33 174.458 174.458 176.224 -1.766 17995
6688 1 15 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.106 -0.287 17995
6689 1 15 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.945 1.602 17995
6690 1 15 . 1 1 55 55 ASN H H 33 7.789 7.789 7.865 -0.076 17995
6691 1 15 . 1 1 56 56 ILE N N 34 120.163 120.163 122.177 -2.014 17995
6692 1 15 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.374 0.163 17995
6693 1 15 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.916 0.085 17995
6694 1 15 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.422 1.671 17995
6695 1 15 . 1 1 56 56 ILE H H 34 7.703 7.703 8.071 -0.368 17995
6696 1 15 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.470 -0.297 17995
6697 1 15 . 1 1 57 57 PRO C C 35 177.969 177.969 176.461 1.508 17995
6698 1 15 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.165 1.111 17995
6699 1 15 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.006 -0.072 17995
6700 1 15 . 1 1 58 58 GLU N N 36 116.701 116.701 116.117 0.584 17995
6701 1 15 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.458 -0.486 17995
6702 1 15 . 1 1 58 58 GLU C C 36 176.612 176.612 175.524 1.088 17995
6703 1 15 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.294 4.053 17995
6704 1 15 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.617 0.215 17995
6705 1 15 . 1 1 58 58 GLU H H 36 9.581 9.581 8.542 1.039 17995
6706 1 15 . 1 1 59 59 LEU N N 37 121.189 121.189 124.523 -3.334 17995
6707 1 15 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.405 -0.093 17995
6708 1 15 . 1 1 59 59 LEU C C 37 173.353 173.353 174.871 -1.518 17995
6709 1 15 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.020 -0.742 17995
6710 1 15 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.278 -0.279 17995
6711 1 15 . 1 1 59 59 LEU H H 37 7.560 7.560 7.348 0.212 17995
6712 1 15 . 1 1 60 60 ASP N N 38 126.468 126.468 123.197 3.271 17995
6713 1 15 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.725 -0.010 17995
6714 1 15 . 1 1 60 60 ASP C C 38 175.828 175.828 177.115 -1.287 17995
6715 1 15 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.077 -1.157 17995
6716 1 15 . 1 1 60 60 ASP CB C 38 41.556 41.556 41.974 -0.418 17995
6717 1 15 . 1 1 60 60 ASP H H 38 7.527 7.527 7.568 -0.041 17995
6718 1 15 . 1 1 61 61 SER N N 39 113.128 113.128 114.112 -0.984 17995
6719 1 15 . 1 1 61 61 SER HA H 39 4.019 4.019 4.172 -0.153 17995
6720 1 15 . 1 1 61 61 SER C C 39 175.854 175.854 176.844 -0.990 17995
6721 1 15 . 1 1 61 61 SER CA C 39 61.276 61.276 61.413 -0.137 17995
6722 1 15 . 1 1 61 61 SER CB C 39 65.520 65.520 62.931 2.589 17995
6723 1 15 . 1 1 61 61 SER H H 39 8.623 8.623 8.369 0.254 17995
6724 1 15 . 1 1 62 62 MET N N 40 121.706 121.706 119.295 2.411 17995
6725 1 15 . 1 1 62 62 MET HA H 40 4.303 4.303 4.323 -0.020 17995
6726 1 15 . 1 1 62 62 MET C C 40 177.755 177.755 178.309 -0.554 17995
6727 1 15 . 1 1 62 62 MET CA C 40 57.714 57.714 56.006 1.708 17995
6728 1 15 . 1 1 62 62 MET CB C 40 32.386 32.386 31.146 1.240 17995
6729 1 15 . 1 1 62 62 MET H H 40 7.802 7.802 8.057 -0.255 17995
6730 1 15 . 1 1 63 63 ALA N N 41 124.277 124.277 122.227 2.050 17995
6731 1 15 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.115 0.056 17995
6732 1 15 . 1 1 63 63 ALA C C 41 179.893 179.893 179.370 0.523 17995
6733 1 15 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.153 -0.052 17995
6734 1 15 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.104 1.552 17995
6735 1 15 . 1 1 63 63 ALA H H 41 8.295 8.295 7.837 0.458 17995
6736 1 15 . 1 1 64 64 VAL N N 42 118.186 118.186 115.979 2.207 17995
6737 1 15 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.581 -0.588 17995
6738 1 15 . 1 1 64 64 VAL C C 42 177.327 177.327 177.339 -0.012 17995
6739 1 15 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.343 1.969 17995
6740 1 15 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.014 0.178 17995
6741 1 15 . 1 1 64 64 VAL H H 42 8.019 8.019 7.760 0.259 17995
6742 1 15 . 1 1 65 65 VAL N N 43 118.361 118.361 121.060 -2.699 17995
6743 1 15 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.439 0.125 17995
6744 1 15 . 1 1 65 65 VAL C C 43 178.520 178.520 178.008 0.512 17995
6745 1 15 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.662 -0.105 17995
6746 1 15 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.809 0.691 17995
6747 1 15 . 1 1 65 65 VAL H H 43 6.942 6.942 7.325 -0.383 17995
6748 1 15 . 1 1 66 66 ASN N N 44 119.476 119.476 118.719 0.757 17995
6749 1 15 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.480 0.082 17995
6750 1 15 . 1 1 66 66 ASN C C 44 178.760 178.760 178.042 0.718 17995
6751 1 15 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.795 -0.959 17995
6752 1 15 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.697 -0.890 17995
6753 1 15 . 1 1 66 66 ASN H H 44 7.789 7.789 7.959 -0.170 17995
6754 1 15 . 1 1 67 67 VAL N N 45 124.029 124.029 116.537 7.492 17995
6755 1 15 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.919 -0.301 17995
6756 1 15 . 1 1 67 67 VAL C C 45 177.100 177.100 178.018 -0.918 17995
6757 1 15 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.820 1.545 17995
6758 1 15 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.584 -0.124 17995
6759 1 15 . 1 1 67 67 VAL H H 45 9.055 9.055 7.714 1.341 17995
6760 1 15 . 1 1 68 68 ILE N N 46 121.006 121.006 122.639 -1.633 17995
6761 1 15 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.799 -0.011 17995
6762 1 15 . 1 1 68 68 ILE C C 46 177.871 177.871 178.076 -0.205 17995
6763 1 15 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.759 -0.497 17995
6764 1 15 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.627 -1.460 17995
6765 1 15 . 1 1 68 68 ILE H H 46 8.509 8.509 7.840 0.669 17995
6766 1 15 . 1 1 69 69 THR N N 47 116.096 116.096 116.071 0.025 17995
6767 1 15 . 1 1 69 69 THR HA H 47 4.391 4.391 3.926 0.465 17995
6768 1 15 . 1 1 69 69 THR C C 47 176.365 176.365 176.182 0.183 17995
6769 1 15 . 1 1 69 69 THR CA C 47 66.256 66.256 67.181 -0.926 17995
6770 1 15 . 1 1 69 69 THR CB C 47 69.098 69.098 68.290 0.808 17995
6771 1 15 . 1 1 69 69 THR H H 47 8.512 8.512 7.849 0.663 17995
6772 1 15 . 1 1 70 70 ALA N N 48 123.948 123.948 124.201 -0.253 17995
6773 1 15 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.225 0.078 17995
6774 1 15 . 1 1 70 70 ALA C C 48 181.452 181.452 179.611 1.841 17995
6775 1 15 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.204 -0.021 17995
6776 1 15 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.316 1.107 17995
6777 1 15 . 1 1 70 70 ALA H H 48 7.802 7.802 8.071 -0.269 17995
6778 1 15 . 1 1 71 71 LEU N N 49 121.199 121.199 119.714 1.485 17995
6779 1 15 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.240 -0.017 17995
6780 1 15 . 1 1 71 71 LEU C C 49 178.192 178.192 179.480 -1.288 17995
6781 1 15 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.373 0.188 17995
6782 1 15 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.939 1.512 17995
6783 1 15 . 1 1 71 71 LEU H H 49 8.802 8.802 8.266 0.536 17995
6784 1 15 . 1 1 72 72 GLU N N 50 119.782 119.782 118.426 1.356 17995
6785 1 15 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.891 -0.401 17995
6786 1 15 . 1 1 72 72 GLU C C 50 180.303 180.303 179.875 0.428 17995
6787 1 15 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.129 0.722 17995
6788 1 15 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.762 2.346 17995
6789 1 15 . 1 1 72 72 GLU H H 50 8.762 8.762 7.947 0.815 17995
6790 1 15 . 1 1 73 73 GLU N N 51 116.902 116.902 119.457 -2.555 17995
6791 1 15 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995
6792 1 15 . 1 1 73 73 GLU C C 51 178.334 178.334 179.135 -0.801 17995
6793 1 15 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.710 -0.092 17995
6794 1 15 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.294 0.788 17995
6795 1 15 . 1 1 73 73 GLU H H 51 7.953 7.953 7.910 0.043 17995
6796 1 15 . 1 1 74 74 TYR N N 52 119.999 119.999 116.965 3.034 17995
6797 1 15 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.363 -0.481 17995
6798 1 15 . 1 1 74 74 TYR C C 52 177.384 177.384 178.185 -0.801 17995
6799 1 15 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.975 0.625 17995
6800 1 15 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.749 0.896 17995
6801 1 15 . 1 1 74 74 TYR H H 52 8.078 8.078 8.135 -0.057 17995
6802 1 15 . 1 1 75 75 PHE N N 53 113.650 113.650 115.670 -2.020 17995
6803 1 15 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.481 -0.295 17995
6804 1 15 . 1 1 75 75 PHE C C 53 174.485 174.485 175.252 -0.767 17995
6805 1 15 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.154 0.090 17995
6806 1 15 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.317 0.723 17995
6807 1 15 . 1 1 75 75 PHE H H 53 8.244 8.244 8.103 0.141 17995
6808 1 15 . 1 1 76 76 ASP N N 54 119.712 119.712 117.697 2.015 17995
6809 1 15 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.528 -0.148 17995
6810 1 15 . 1 1 76 76 ASP C C 54 174.118 174.118 175.576 -1.458 17995
6811 1 15 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.629 -0.766 17995
6812 1 15 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.140 0.016 17995
6813 1 15 . 1 1 76 76 ASP H H 54 7.596 7.596 7.994 -0.398 17995
6814 1 15 . 1 1 77 77 PHE N N 55 113.804 113.804 115.885 -2.081 17995
6815 1 15 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.071 0.004 17995
6816 1 15 . 1 1 77 77 PHE C C 55 174.384 174.384 173.487 0.897 17995
6817 1 15 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.610 -1.174 17995
6818 1 15 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.072 -0.442 17995
6819 1 15 . 1 1 77 77 PHE H H 55 7.725 7.725 8.316 -0.591 17995
6820 1 15 . 1 1 78 78 SER N N 56 114.319 114.319 114.141 0.178 17995
6821 1 15 . 1 1 78 78 SER HA H 56 5.149 5.149 4.646 0.503 17995
6822 1 15 . 1 1 78 78 SER C C 56 174.100 174.100 172.512 1.588 17995
6823 1 15 . 1 1 78 78 SER CA C 56 56.800 56.800 56.498 0.302 17995
6824 1 15 . 1 1 78 78 SER CB C 56 65.011 65.011 64.218 0.793 17995
6825 1 15 . 1 1 78 78 SER H H 56 8.727 8.727 8.230 0.497 17995
6826 1 15 . 1 1 79 79 VAL N N 57 128.316 128.316 127.066 1.250 17995
6827 1 15 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.012 0.232 17995
6828 1 15 . 1 1 79 79 VAL C C 57 175.637 175.637 175.223 0.414 17995
6829 1 15 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.053 -0.299 17995
6830 1 15 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.480 0.393 17995
6831 1 15 . 1 1 79 79 VAL H H 57 10.222 10.222 8.173 2.049 17995
6832 1 15 . 1 1 80 80 ASP N N 58 130.058 130.058 126.777 3.281 17995
6833 1 15 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.581 0.265 17995
6834 1 15 . 1 1 80 80 ASP C C 58 177.205 177.205 176.578 0.627 17995
6835 1 15 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.264 -0.788 17995
6836 1 15 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.494 -0.829 17995
6837 1 15 . 1 1 80 80 ASP H H 58 9.396 9.396 8.281 1.115 17995
6838 1 15 . 1 1 81 81 ASP N N 59 122.564 122.564 122.394 0.170 17995
6839 1 15 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.401 -0.121 17995
6840 1 15 . 1 1 81 81 ASP C C 59 177.291 177.291 176.592 0.699 17995
6841 1 15 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.378 1.082 17995
6842 1 15 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.205 -0.475 17995
6843 1 15 . 1 1 81 81 ASP H H 59 8.696 8.696 8.726 -0.030 17995
6844 1 15 . 1 1 82 82 ASP N N 60 115.817 115.817 117.899 -2.082 17995
6845 1 15 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.486 0.073 17995
6846 1 15 . 1 1 82 82 ASP C C 60 176.939 176.939 177.583 -0.644 17995
6847 1 15 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.172 -1.311 17995
6848 1 15 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.345 -0.930 17995
6849 1 15 . 1 1 82 82 ASP H H 60 8.460 8.460 7.866 0.594 17995
6850 1 15 . 1 1 83 83 GLU N N 61 118.478 118.478 116.858 1.620 17995
6851 1 15 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.456 -0.155 17995
6852 1 15 . 1 1 83 83 GLU C C 61 175.841 175.841 177.106 -1.265 17995
6853 1 15 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.532 0.771 17995
6854 1 15 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.450 1.041 17995
6855 1 15 . 1 1 83 83 GLU H H 61 7.903 7.903 7.635 0.268 17995
6856 1 15 . 1 1 84 84 ILE N N 62 117.759 117.759 122.080 -4.321 17995
6857 1 15 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.891 0.274 17995
6858 1 15 . 1 1 84 84 ILE C C 62 174.069 174.069 175.180 -1.111 17995
6859 1 15 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.069 -2.575 17995
6860 1 15 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.961 2.174 17995
6861 1 15 . 1 1 84 84 ILE H H 62 7.396 7.396 7.340 0.056 17995
6862 1 15 . 1 1 85 85 SER N N 63 119.980 119.980 121.995 -2.015 17995
6863 1 15 . 1 1 85 85 SER HA H 63 4.789 4.789 4.696 0.093 17995
6864 1 15 . 1 1 85 85 SER CA C 63 56.772 56.772 56.018 0.754 17995
6865 1 15 . 1 1 85 85 SER CB C 63 66.916 66.916 65.847 1.069 17995
6866 1 15 . 1 1 85 85 SER H H 63 8.384 8.384 8.142 0.242 17995
6867 1 15 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.263 -0.236 17995
6868 1 15 . 1 1 86 86 ALA C C 64 180.211 180.211 178.958 1.253 17995
6869 1 15 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.626 0.875 17995
6870 1 15 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.771 -0.761 17995
6871 1 15 . 1 1 87 87 GLN N N 65 116.123 116.123 115.103 1.020 17995
6872 1 15 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.308 -0.243 17995
6873 1 15 . 1 1 87 87 GLN C C 65 178.564 178.564 177.159 1.405 17995
6874 1 15 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.490 1.249 17995
6875 1 15 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.313 0.130 17995
6876 1 15 . 1 1 87 87 GLN H H 65 7.990 7.990 7.825 0.165 17995
6877 1 15 . 1 1 88 88 THR N N 66 119.153 119.153 115.173 3.980 17995
6878 1 15 . 1 1 88 88 THR HA H 66 3.631 3.631 3.798 -0.167 17995
6879 1 15 . 1 1 88 88 THR C C 66 174.748 174.748 174.808 -0.060 17995
6880 1 15 . 1 1 88 88 THR CA C 66 66.591 66.591 65.476 1.115 17995
6881 1 15 . 1 1 88 88 THR CB C 66 68.702 68.702 68.537 0.165 17995
6882 1 15 . 1 1 88 88 THR H H 66 7.738 7.738 7.170 0.568 17995
6883 1 15 . 1 1 89 89 PHE N N 67 115.088 115.088 117.008 -1.920 17995
6884 1 15 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.614 -0.377 17995
6885 1 15 . 1 1 89 89 PHE C C 67 173.600 173.600 177.020 -3.420 17995
6886 1 15 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.492 0.030 17995
6887 1 15 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.298 1.408 17995
6888 1 15 . 1 1 89 89 PHE H H 67 7.180 7.180 7.454 -0.274 17995
6889 1 15 . 1 1 90 90 GLU N N 68 122.222 122.222 119.102 3.120 17995
6890 1 15 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995
6891 1 15 . 1 1 90 90 GLU C C 68 178.581 178.581 176.610 1.971 17995
6892 1 15 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.377 1.349 17995
6893 1 15 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.867 0.881 17995
6894 1 15 . 1 1 90 90 GLU H H 68 7.421 7.421 7.901 -0.480 17995
6895 1 15 . 1 1 91 91 THR N N 69 106.383 106.383 110.784 -4.401 17995
6896 1 15 . 1 1 91 91 THR HA H 69 5.477 5.477 4.728 0.749 17995
6897 1 15 . 1 1 91 91 THR C C 69 174.775 174.775 174.051 0.724 17995
6898 1 15 . 1 1 91 91 THR CA C 69 58.798 58.798 60.342 -1.544 17995
6899 1 15 . 1 1 91 91 THR CB C 69 74.841 74.841 71.714 3.127 17995
6900 1 15 . 1 1 91 91 THR H H 69 8.534 8.534 7.350 1.184 17995
6901 1 15 . 1 1 92 92 LEU N N 70 120.326 120.326 125.491 -5.165 17995
6902 1 15 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.159 -0.016 17995
6903 1 15 . 1 1 92 92 LEU C C 70 178.174 178.174 177.912 0.262 17995
6904 1 15 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.208 1.058 17995
6905 1 15 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.253 -1.383 17995
6906 1 15 . 1 1 92 92 LEU H H 70 7.991 7.991 8.441 -0.450 17995
6907 1 15 . 1 1 93 93 GLY N N 71 106.588 106.588 105.316 1.272 17995
6908 1 15 . 1 1 93 93 GLY C C 71 175.300 175.300 176.035 -0.735 17995
6909 1 15 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.497 -0.160 17995
6910 1 15 . 1 1 93 93 GLY H H 71 9.019 9.019 8.270 0.749 17995
6911 1 15 . 1 1 94 94 SER N N 72 120.200 120.200 118.382 1.818 17995
6912 1 15 . 1 1 94 94 SER HA H 72 4.090 4.090 4.260 -0.170 17995
6913 1 15 . 1 1 94 94 SER C C 72 177.631 177.631 176.444 1.187 17995
6914 1 15 . 1 1 94 94 SER CA C 72 62.329 62.329 61.758 0.571 17995
6915 1 15 . 1 1 94 94 SER H H 72 8.709 8.709 7.505 1.204 17995
6916 1 15 . 1 1 95 95 LEU N N 73 129.169 129.169 121.449 7.720 17995
6917 1 15 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.852 0.388 17995
6918 1 15 . 1 1 95 95 LEU C C 73 176.439 176.439 178.894 -2.455 17995
6919 1 15 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.269 0.533 17995
6920 1 15 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.256 1.603 17995
6921 1 15 . 1 1 95 95 LEU H H 73 7.800 7.800 7.437 0.363 17995
6922 1 15 . 1 1 96 96 ALA N N 74 121.721 121.721 122.282 -0.561 17995
6923 1 15 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.996 -0.007 17995
6924 1 15 . 1 1 96 96 ALA C C 74 180.456 180.456 179.982 0.474 17995
6925 1 15 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.212 0.490 17995
6926 1 15 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.365 -0.649 17995
6927 1 15 . 1 1 96 96 ALA H H 74 8.612 8.612 7.986 0.626 17995
6928 1 15 . 1 1 97 97 LEU N N 75 122.095 122.095 119.289 2.806 17995
6929 1 15 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.060 -0.003 17995
6930 1 15 . 1 1 97 97 LEU C C 75 178.805 178.805 179.485 -0.680 17995
6931 1 15 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.140 -0.371 17995
6932 1 15 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.692 1.130 17995
6933 1 15 . 1 1 97 97 LEU H H 75 8.777 8.777 7.993 0.784 17995
6934 1 15 . 1 1 98 98 PHE N N 76 122.741 122.741 118.300 4.441 17995
6935 1 15 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.079 0.183 17995
6936 1 15 . 1 1 98 98 PHE C C 76 176.878 176.878 178.307 -1.429 17995
6937 1 15 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.828 -1.596 17995
6938 1 15 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.435 0.114 17995
6939 1 15 . 1 1 98 98 PHE H H 76 7.889 7.889 8.111 -0.222 17995
6940 1 15 . 1 1 99 99 VAL N N 77 119.641 119.641 115.556 4.085 17995
6941 1 15 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.525 -0.747 17995
6942 1 15 . 1 1 99 99 VAL C C 77 176.414 176.414 177.881 -1.467 17995
6943 1 15 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.084 0.884 17995
6944 1 15 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.102 0.084 17995
6945 1 15 . 1 1 99 99 VAL H H 77 7.599 7.599 8.253 -0.654 17995
6946 1 15 . 1 1 100 100 GLU N N 78 118.850 118.850 121.879 -3.029 17995
6947 1 15 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.128 -0.355 17995
6948 1 15 . 1 1 100 100 GLU C C 78 179.007 179.007 179.048 -0.041 17995
6949 1 15 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.204 0.336 17995
6950 1 15 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.870 0.908 17995
6951 1 15 . 1 1 100 100 GLU H H 78 7.740 7.740 8.145 -0.405 17995
6952 1 15 . 1 1 101 101 HIS N N 79 120.328 120.328 117.904 2.424 17995
6953 1 15 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.061 0.140 17995
6954 1 15 . 1 1 101 101 HIS C C 79 178.242 178.242 177.551 0.691 17995
6955 1 15 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.013 0.225 17995
6956 1 15 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.941 -0.003 17995
6957 1 15 . 1 1 101 101 HIS H H 79 8.354 8.354 7.936 0.418 17995
6958 1 15 . 1 1 102 102 LYS N N 80 121.044 121.044 118.481 2.563 17995
6959 1 15 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.262 -0.695 17995
6960 1 15 . 1 1 102 102 LYS C C 80 179.199 179.199 179.317 -0.118 17995
6961 1 15 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.652 -1.665 17995
6962 1 15 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.141 -1.965 17995
6963 1 15 . 1 1 102 102 LYS H H 80 7.908 7.908 7.968 -0.060 17995
6964 1 15 . 1 1 103 103 LEU N N 81 118.698 118.698 118.722 -0.024 17995
6965 1 15 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.325 -0.167 17995
6966 1 15 . 1 1 103 103 LEU C C 81 178.593 178.593 178.513 0.080 17995
6967 1 15 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.719 0.677 17995
6968 1 15 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.382 1.927 17995
6969 1 15 . 1 1 103 103 LEU H H 81 7.784 7.784 7.829 -0.045 17995
6970 1 15 . 1 1 104 104 SER N N 82 114.826 114.826 113.066 1.760 17995
6971 1 15 . 1 1 104 104 SER HA H 82 4.358 4.358 4.359 -0.001 17995
6972 1 15 . 1 1 104 104 SER C C 82 174.810 174.810 174.877 -0.067 17995
6973 1 15 . 1 1 104 104 SER CA C 82 59.567 59.567 58.988 0.579 17995
6974 1 15 . 1 1 104 104 SER CB C 82 63.859 63.859 63.342 0.517 17995
6975 1 15 . 1 1 104 104 SER H H 82 7.738 7.738 7.706 0.032 17995
6976 1 16 . 1 1 24 24 GLN N N 2 121.730 121.730 126.866 -5.136 17995
6977 1 16 . 1 1 24 24 GLN HA H 2 3.962 3.962 3.973 -0.011 17995
6978 1 16 . 1 1 24 24 GLN C C 2 177.291 177.291 177.527 -0.236 17995
6979 1 16 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.607 -0.216 17995
6980 1 16 . 1 1 24 24 GLN CB C 2 28.710 28.710 28.404 0.306 17995
6981 1 16 . 1 1 24 24 GLN H H 2 8.511 8.511 8.751 -0.240 17995
6982 1 16 . 1 1 25 25 HIS N N 3 116.878 116.878 119.454 -2.576 17995
6983 1 16 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.632 0.471 17995
6984 1 16 . 1 1 25 25 HIS C C 3 175.501 175.501 177.333 -1.832 17995
6985 1 16 . 1 1 25 25 HIS CA C 3 56.347 56.347 56.493 -0.146 17995
6986 1 16 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.314 1.313 17995
6987 1 16 . 1 1 25 25 HIS H H 3 8.216 8.216 8.374 -0.158 17995
6988 1 16 . 1 1 26 26 LEU N N 4 121.540 121.540 120.231 1.309 17995
6989 1 16 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.138 -0.445 17995
6990 1 16 . 1 1 26 26 LEU C C 4 177.649 177.649 178.381 -0.732 17995
6991 1 16 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.285 1.418 17995
6992 1 16 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.541 0.794 17995
6993 1 16 . 1 1 26 26 LEU H H 4 7.447 7.447 8.086 -0.639 17995
6994 1 16 . 1 1 27 27 GLU N N 5 118.441 118.441 120.146 -1.705 17995
6995 1 16 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.926 -0.035 17995
6996 1 16 . 1 1 27 27 GLU C C 5 178.162 178.162 178.453 -0.291 17995
6997 1 16 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.449 0.173 17995
6998 1 16 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.643 -0.566 17995
6999 1 16 . 1 1 27 27 GLU H H 5 8.561 8.561 7.799 0.762 17995
7000 1 16 . 1 1 28 28 ALA N N 6 122.005 122.005 121.770 0.235 17995
7001 1 16 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.114 0.017 17995
7002 1 16 . 1 1 28 28 ALA C C 6 180.421 180.421 180.046 0.375 17995
7003 1 16 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.867 0.412 17995
7004 1 16 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.243 0.523 17995
7005 1 16 . 1 1 28 28 ALA H H 6 8.205 8.205 8.174 0.031 17995
7006 1 16 . 1 1 29 29 VAL N N 7 116.985 116.985 119.440 -2.455 17995
7007 1 16 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.750 -0.241 17995
7008 1 16 . 1 1 29 29 VAL C C 7 177.034 177.034 177.761 -0.727 17995
7009 1 16 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.742 -0.379 17995
7010 1 16 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.670 -0.231 17995
7011 1 16 . 1 1 29 29 VAL H H 7 8.392 8.392 8.090 0.302 17995
7012 1 16 . 1 1 30 30 ARG N N 8 121.674 121.674 119.407 2.267 17995
7013 1 16 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.018 -0.354 17995
7014 1 16 . 1 1 30 30 ARG C C 8 177.810 177.810 178.374 -0.564 17995
7015 1 16 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.303 1.222 17995
7016 1 16 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.353 1.313 17995
7017 1 16 . 1 1 30 30 ARG H H 8 8.784 8.784 8.311 0.473 17995
7018 1 16 . 1 1 31 31 ASN N N 9 118.102 118.102 118.662 -0.560 17995
7019 1 16 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.508 -0.224 17995
7020 1 16 . 1 1 31 31 ASN C C 9 177.890 177.890 177.325 0.565 17995
7021 1 16 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.027 0.227 17995
7022 1 16 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.198 -0.610 17995
7023 1 16 . 1 1 31 31 ASN H H 9 8.144 8.144 7.894 0.250 17995
7024 1 16 . 1 1 32 32 ILE N N 10 123.614 123.614 120.270 3.344 17995
7025 1 16 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.506 0.286 17995
7026 1 16 . 1 1 32 32 ILE C C 10 177.810 177.810 177.771 0.039 17995
7027 1 16 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.111 0.147 17995
7028 1 16 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.968 0.766 17995
7029 1 16 . 1 1 32 32 ILE H H 10 8.137 8.137 7.631 0.506 17995
7030 1 16 . 1 1 33 33 LEU N N 11 119.797 119.797 119.875 -0.078 17995
7031 1 16 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.996 -0.210 17995
7032 1 16 . 1 1 33 33 LEU C C 11 179.039 179.039 179.456 -0.417 17995
7033 1 16 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.082 0.628 17995
7034 1 16 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.438 0.638 17995
7035 1 16 . 1 1 33 33 LEU H H 11 8.637 8.637 8.386 0.251 17995
7036 1 16 . 1 1 34 34 GLY N N 12 103.682 103.682 105.425 -1.743 17995
7037 1 16 . 1 1 34 34 GLY C C 12 175.242 175.242 174.922 0.320 17995
7038 1 16 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.663 1.056 17995
7039 1 16 . 1 1 34 34 GLY H H 12 8.513 8.513 8.312 0.201 17995
7040 1 16 . 1 1 35 35 ASP N N 13 122.235 122.235 120.719 1.516 17995
7041 1 16 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.505 0.080 17995
7042 1 16 . 1 1 35 35 ASP C C 13 179.013 179.013 177.899 1.114 17995
7043 1 16 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.680 0.236 17995
7044 1 16 . 1 1 35 35 ASP CB C 13 41.046 41.046 40.970 0.076 17995
7045 1 16 . 1 1 35 35 ASP H H 13 7.968 7.968 7.669 0.299 17995
7046 1 16 . 1 1 36 36 VAL N N 14 120.841 120.841 118.623 2.218 17995
7047 1 16 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.866 -0.189 17995
7048 1 16 . 1 1 36 36 VAL C C 14 177.797 177.797 177.178 0.619 17995
7049 1 16 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.353 0.651 17995
7050 1 16 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.504 -0.272 17995
7051 1 16 . 1 1 36 36 VAL H H 14 8.765 8.765 8.001 0.764 17995
7052 1 16 . 1 1 37 37 LEU N N 15 114.630 114.630 116.324 -1.694 17995
7053 1 16 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.502 -0.221 17995
7054 1 16 . 1 1 37 37 LEU C C 15 175.483 175.483 176.163 -0.680 17995
7055 1 16 . 1 1 37 37 LEU CA C 15 54.170 54.170 53.772 0.398 17995
7056 1 16 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.157 -0.463 17995
7057 1 16 . 1 1 37 37 LEU H H 15 7.942 7.942 7.800 0.142 17995
7058 1 16 . 1 1 38 38 ASN N N 16 116.887 116.887 116.419 0.468 17995
7059 1 16 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.586 -0.052 17995
7060 1 16 . 1 1 38 38 ASN C C 16 175.668 175.668 175.557 0.111 17995
7061 1 16 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.608 0.312 17995
7062 1 16 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.882 -1.024 17995
7063 1 16 . 1 1 38 38 ASN H H 16 7.561 7.561 7.588 -0.027 17995
7064 1 16 . 1 1 39 39 LEU N N 17 114.676 114.676 119.476 -4.800 17995
7065 1 16 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.259 -0.189 17995
7066 1 16 . 1 1 39 39 LEU C C 17 178.415 178.415 177.977 0.438 17995
7067 1 16 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.362 0.382 17995
7068 1 16 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.645 0.631 17995
7069 1 16 . 1 1 39 39 LEU H H 17 8.233 8.233 7.718 0.515 17995
7070 1 16 . 1 1 40 40 GLY N N 18 109.665 109.665 107.233 2.432 17995
7071 1 16 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.774 -0.469 17995
7072 1 16 . 1 1 40 40 GLY H H 18 8.678 8.678 7.768 0.910 17995
7073 1 16 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.159 -0.031 17995
7074 1 16 . 1 1 41 41 GLU C C 19 178.328 178.328 177.861 0.467 17995
7075 1 16 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.215 1.049 17995
7076 1 16 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.612 -0.532 17995
7077 1 16 . 1 1 42 42 ARG N N 20 118.936 118.936 121.596 -2.660 17995
7078 1 16 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.120 0.055 17995
7079 1 16 . 1 1 42 42 ARG C C 20 178.912 178.912 177.918 0.994 17995
7080 1 16 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.723 -0.486 17995
7081 1 16 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.349 -0.293 17995
7082 1 16 . 1 1 42 42 ARG H H 20 7.979 7.979 8.050 -0.071 17995
7083 1 16 . 1 1 43 43 LYS N N 21 119.087 119.087 112.668 6.419 17995
7084 1 16 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.077 -0.329 17995
7085 1 16 . 1 1 43 43 LYS C C 21 176.559 176.559 177.017 -0.458 17995
7086 1 16 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.681 0.417 17995
7087 1 16 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.757 0.224 17995
7088 1 16 . 1 1 43 43 LYS H H 21 7.719 7.719 8.297 -0.578 17995
7089 1 16 . 1 1 44 44 HIS N N 22 115.571 115.571 117.303 -1.732 17995
7090 1 16 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.594 -0.166 17995
7091 1 16 . 1 1 44 44 HIS C C 22 176.288 176.288 176.586 -0.298 17995
7092 1 16 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.204 -0.420 17995
7093 1 16 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.087 -0.617 17995
7094 1 16 . 1 1 44 44 HIS H H 22 7.124 7.124 7.657 -0.532 17995
7095 1 16 . 1 1 45 45 THR N N 23 107.890 107.890 114.610 -6.720 17995
7096 1 16 . 1 1 45 45 THR HA H 23 4.355 4.355 4.242 0.113 17995
7097 1 16 . 1 1 45 45 THR C C 23 174.650 174.650 175.319 -0.669 17995
7098 1 16 . 1 1 45 45 THR CA C 23 61.627 61.627 62.831 -1.204 17995
7099 1 16 . 1 1 45 45 THR CB C 23 69.475 69.475 69.112 0.363 17995
7100 1 16 . 1 1 45 45 THR H H 23 7.441 7.441 8.018 -0.577 17995
7101 1 16 . 1 1 46 46 LEU N N 24 121.435 121.435 118.123 3.312 17995
7102 1 16 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.733 -0.110 17995
7103 1 16 . 1 1 46 46 LEU C C 24 176.537 176.537 175.028 1.509 17995
7104 1 16 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.519 1.071 17995
7105 1 16 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.392 0.725 17995
7106 1 16 . 1 1 46 46 LEU H H 24 7.059 7.059 7.279 -0.220 17995
7107 1 16 . 1 1 47 47 THR N N 25 116.104 116.104 107.786 8.318 17995
7108 1 16 . 1 1 47 47 THR HA H 25 4.605 4.605 4.517 0.088 17995
7109 1 16 . 1 1 47 47 THR C C 25 175.526 175.526 175.718 -0.192 17995
7110 1 16 . 1 1 47 47 THR CA C 25 59.878 59.878 59.920 -0.042 17995
7111 1 16 . 1 1 47 47 THR CB C 25 71.752 71.752 70.761 0.991 17995
7112 1 16 . 1 1 47 47 THR H H 25 9.432 9.432 7.657 1.775 17995
7113 1 16 . 1 1 48 48 ALA N N 26 122.234 122.234 121.367 0.867 17995
7114 1 16 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.169 -0.360 17995
7115 1 16 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.699 0.894 17995
7116 1 16 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.389 0.265 17995
7117 1 16 . 1 1 48 48 ALA H H 26 9.142 9.142 8.561 0.581 17995
7118 1 16 . 1 1 49 49 SER HA H 27 4.448 4.448 4.383 0.065 17995
7119 1 16 . 1 1 49 49 SER C C 27 174.637 174.637 174.514 0.123 17995
7120 1 16 . 1 1 49 49 SER CA C 27 58.348 58.348 59.153 -0.805 17995
7121 1 16 . 1 1 49 49 SER CB C 27 63.704 63.704 62.805 0.899 17995
7122 1 16 . 1 1 50 50 SER N N 28 122.032 122.032 118.293 3.739 17995
7123 1 16 . 1 1 50 50 SER HA H 28 4.269 4.269 4.407 -0.138 17995
7124 1 16 . 1 1 50 50 SER C C 28 172.904 172.904 173.145 -0.241 17995
7125 1 16 . 1 1 50 50 SER CA C 28 60.846 60.846 58.797 2.049 17995
7126 1 16 . 1 1 50 50 SER CB C 28 63.063 63.063 63.790 -0.727 17995
7127 1 16 . 1 1 50 50 SER H H 28 8.157 8.157 7.426 0.731 17995
7128 1 16 . 1 1 51 51 VAL N N 29 127.079 127.079 127.484 -0.405 17995
7129 1 16 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.230 0.112 17995
7130 1 16 . 1 1 51 51 VAL C C 29 176.612 176.612 175.428 1.184 17995
7131 1 16 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.967 -0.519 17995
7132 1 16 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.381 -0.156 17995
7133 1 16 . 1 1 51 51 VAL H H 29 8.505 8.505 8.558 -0.053 17995
7134 1 16 . 1 1 52 52 LEU N N 30 126.014 126.014 124.237 1.777 17995
7135 1 16 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.545 0.250 17995
7136 1 16 . 1 1 52 52 LEU C C 30 176.569 176.569 177.596 -1.027 17995
7137 1 16 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.288 -0.756 17995
7138 1 16 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.052 -2.048 17995
7139 1 16 . 1 1 52 52 LEU H H 30 7.954 7.954 8.325 -0.371 17995
7140 1 16 . 1 1 53 53 LEU N N 31 122.601 122.601 119.307 3.294 17995
7141 1 16 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.852 0.234 17995
7142 1 16 . 1 1 53 53 LEU C C 31 177.683 177.683 178.793 -1.110 17995
7143 1 16 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.450 0.924 17995
7144 1 16 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.077 0.742 17995
7145 1 16 . 1 1 53 53 LEU H H 31 7.777 7.777 7.591 0.186 17995
7146 1 16 . 1 1 54 54 GLY N N 32 114.941 114.941 114.385 0.556 17995
7147 1 16 . 1 1 54 54 GLY C C 32 173.612 173.612 174.456 -0.844 17995
7148 1 16 . 1 1 54 54 GLY CA C 32 45.558 45.558 46.320 -0.762 17995
7149 1 16 . 1 1 54 54 GLY H H 32 9.121 9.121 9.088 0.033 17995
7150 1 16 . 1 1 55 55 ASN N N 33 117.901 117.901 120.833 -2.932 17995
7151 1 16 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.683 0.247 17995
7152 1 16 . 1 1 55 55 ASN C C 33 174.458 174.458 176.331 -1.873 17995
7153 1 16 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.565 -0.746 17995
7154 1 16 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.243 2.304 17995
7155 1 16 . 1 1 55 55 ASN H H 33 7.789 7.789 7.775 0.014 17995
7156 1 16 . 1 1 56 56 ILE N N 34 120.163 120.163 122.360 -2.197 17995
7157 1 16 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.321 0.216 17995
7158 1 16 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.189 -0.188 17995
7159 1 16 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.225 1.868 17995
7160 1 16 . 1 1 56 56 ILE H H 34 7.703 7.703 7.953 -0.250 17995
7161 1 16 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.455 -0.282 17995
7162 1 16 . 1 1 57 57 PRO C C 35 177.969 177.969 176.647 1.322 17995
7163 1 16 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.184 1.092 17995
7164 1 16 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.013 -0.079 17995
7165 1 16 . 1 1 58 58 GLU N N 36 116.701 116.701 117.439 -0.738 17995
7166 1 16 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.465 -0.493 17995
7167 1 16 . 1 1 58 58 GLU C C 36 176.612 176.612 175.256 1.356 17995
7168 1 16 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.056 3.291 17995
7169 1 16 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.622 0.210 17995
7170 1 16 . 1 1 58 58 GLU H H 36 9.581 9.581 8.283 1.298 17995
7171 1 16 . 1 1 59 59 LEU N N 37 121.189 121.189 123.624 -2.435 17995
7172 1 16 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.526 -0.214 17995
7173 1 16 . 1 1 59 59 LEU C C 37 173.353 173.353 174.770 -1.417 17995
7174 1 16 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.211 -0.933 17995
7175 1 16 . 1 1 59 59 LEU CB C 37 40.999 40.999 42.222 -1.223 17995
7176 1 16 . 1 1 59 59 LEU H H 37 7.560 7.560 7.381 0.179 17995
7177 1 16 . 1 1 60 60 ASP N N 38 126.468 126.468 124.287 2.181 17995
7178 1 16 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.763 -0.048 17995
7179 1 16 . 1 1 60 60 ASP C C 38 175.828 175.828 176.416 -0.588 17995
7180 1 16 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.679 -0.759 17995
7181 1 16 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.447 -0.891 17995
7182 1 16 . 1 1 60 60 ASP H H 38 7.527 7.527 7.955 -0.427 17995
7183 1 16 . 1 1 61 61 SER N N 39 113.128 113.128 114.535 -1.407 17995
7184 1 16 . 1 1 61 61 SER HA H 39 4.019 4.019 4.141 -0.122 17995
7185 1 16 . 1 1 61 61 SER C C 39 175.854 175.854 176.893 -1.039 17995
7186 1 16 . 1 1 61 61 SER CA C 39 61.276 61.276 61.502 -0.226 17995
7187 1 16 . 1 1 61 61 SER CB C 39 65.520 65.520 63.016 2.504 17995
7188 1 16 . 1 1 61 61 SER H H 39 8.623 8.623 8.408 0.215 17995
7189 1 16 . 1 1 62 62 MET N N 40 121.706 121.706 119.148 2.558 17995
7190 1 16 . 1 1 62 62 MET HA H 40 4.303 4.303 4.318 -0.015 17995
7191 1 16 . 1 1 62 62 MET C C 40 177.755 177.755 178.052 -0.297 17995
7192 1 16 . 1 1 62 62 MET CA C 40 57.714 57.714 56.269 1.445 17995
7193 1 16 . 1 1 62 62 MET CB C 40 32.386 32.386 31.260 1.126 17995
7194 1 16 . 1 1 62 62 MET H H 40 7.802 7.802 8.100 -0.298 17995
7195 1 16 . 1 1 63 63 ALA N N 41 124.277 124.277 122.112 2.165 17995
7196 1 16 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.180 -0.009 17995
7197 1 16 . 1 1 63 63 ALA C C 41 179.893 179.893 179.716 0.177 17995
7198 1 16 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.149 -0.048 17995
7199 1 16 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.758 1.898 17995
7200 1 16 . 1 1 63 63 ALA H H 41 8.295 8.295 8.363 -0.068 17995
7201 1 16 . 1 1 64 64 VAL N N 42 118.186 118.186 116.252 1.934 17995
7202 1 16 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.504 -0.511 17995
7203 1 16 . 1 1 64 64 VAL C C 42 177.327 177.327 177.333 -0.006 17995
7204 1 16 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.667 1.645 17995
7205 1 16 . 1 1 64 64 VAL CB C 42 31.192 31.192 30.521 0.671 17995
7206 1 16 . 1 1 64 64 VAL H H 42 8.019 8.019 7.552 0.467 17995
7207 1 16 . 1 1 65 65 VAL N N 43 118.361 118.361 121.561 -3.200 17995
7208 1 16 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.471 0.093 17995
7209 1 16 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995
7210 1 16 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.426 0.131 17995
7211 1 16 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.071 0.429 17995
7212 1 16 . 1 1 65 65 VAL H H 43 6.942 6.942 7.301 -0.359 17995
7213 1 16 . 1 1 66 66 ASN N N 44 119.476 119.476 118.496 0.980 17995
7214 1 16 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995
7215 1 16 . 1 1 66 66 ASN C C 44 178.760 178.760 178.082 0.678 17995
7216 1 16 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.295 -0.459 17995
7217 1 16 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.199 -0.392 17995
7218 1 16 . 1 1 66 66 ASN H H 44 7.789 7.789 8.170 -0.381 17995
7219 1 16 . 1 1 67 67 VAL N N 45 124.029 124.029 116.799 7.230 17995
7220 1 16 . 1 1 67 67 VAL HA H 45 3.618 3.618 4.109 -0.491 17995
7221 1 16 . 1 1 67 67 VAL C C 45 177.100 177.100 177.833 -0.733 17995
7222 1 16 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.160 2.206 17995
7223 1 16 . 1 1 67 67 VAL CB C 45 31.460 31.460 30.927 0.533 17995
7224 1 16 . 1 1 67 67 VAL H H 45 9.055 9.055 7.756 1.299 17995
7225 1 16 . 1 1 68 68 ILE N N 46 121.006 121.006 123.326 -2.320 17995
7226 1 16 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.783 0.005 17995
7227 1 16 . 1 1 68 68 ILE C C 46 177.871 177.871 177.907 -0.036 17995
7228 1 16 . 1 1 68 68 ILE CA C 46 65.262 65.262 66.089 -0.827 17995
7229 1 16 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.403 -1.236 17995
7230 1 16 . 1 1 68 68 ILE H H 46 8.509 8.509 7.746 0.763 17995
7231 1 16 . 1 1 69 69 THR N N 47 116.096 116.096 116.050 0.046 17995
7232 1 16 . 1 1 69 69 THR HA H 47 4.391 4.391 3.911 0.480 17995
7233 1 16 . 1 1 69 69 THR C C 47 176.365 176.365 176.172 0.193 17995
7234 1 16 . 1 1 69 69 THR CA C 47 66.256 66.256 67.205 -0.949 17995
7235 1 16 . 1 1 69 69 THR CB C 47 69.098 69.098 68.259 0.839 17995
7236 1 16 . 1 1 69 69 THR H H 47 8.512 8.512 7.892 0.620 17995
7237 1 16 . 1 1 70 70 ALA N N 48 123.948 123.948 123.902 0.046 17995
7238 1 16 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.159 0.144 17995
7239 1 16 . 1 1 70 70 ALA C C 48 181.452 181.452 179.637 1.815 17995
7240 1 16 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.188 -0.005 17995
7241 1 16 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995
7242 1 16 . 1 1 70 70 ALA H H 48 7.802 7.802 7.927 -0.125 17995
7243 1 16 . 1 1 71 71 LEU N N 49 121.199 121.199 119.856 1.343 17995
7244 1 16 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.313 -0.090 17995
7245 1 16 . 1 1 71 71 LEU C C 49 178.192 178.192 179.716 -1.524 17995
7246 1 16 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.342 0.219 17995
7247 1 16 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.046 1.405 17995
7248 1 16 . 1 1 71 71 LEU H H 49 8.802 8.802 8.352 0.450 17995
7249 1 16 . 1 1 72 72 GLU N N 50 119.782 119.782 118.174 1.608 17995
7250 1 16 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.038 -0.548 17995
7251 1 16 . 1 1 72 72 GLU C C 50 180.303 180.303 179.546 0.757 17995
7252 1 16 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.124 0.727 17995
7253 1 16 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.926 2.182 17995
7254 1 16 . 1 1 72 72 GLU H H 50 8.762 8.762 8.007 0.755 17995
7255 1 16 . 1 1 73 73 GLU N N 51 116.902 116.902 118.799 -1.897 17995
7256 1 16 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995
7257 1 16 . 1 1 73 73 GLU C C 51 178.334 178.334 178.878 -0.544 17995
7258 1 16 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.654 -0.036 17995
7259 1 16 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.347 0.735 17995
7260 1 16 . 1 1 73 73 GLU H H 51 7.953 7.953 7.754 0.199 17995
7261 1 16 . 1 1 74 74 TYR N N 52 119.999 119.999 116.792 3.207 17995
7262 1 16 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.295 -0.413 17995
7263 1 16 . 1 1 74 74 TYR C C 52 177.384 177.384 178.190 -0.806 17995
7264 1 16 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.032 0.568 17995
7265 1 16 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.595 1.050 17995
7266 1 16 . 1 1 74 74 TYR H H 52 8.078 8.078 8.057 0.021 17995
7267 1 16 . 1 1 75 75 PHE N N 53 113.650 113.650 114.922 -1.272 17995
7268 1 16 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.479 -0.293 17995
7269 1 16 . 1 1 75 75 PHE C C 53 174.485 174.485 175.622 -1.137 17995
7270 1 16 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.429 -0.185 17995
7271 1 16 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.569 0.471 17995
7272 1 16 . 1 1 75 75 PHE H H 53 8.244 8.244 8.186 0.058 17995
7273 1 16 . 1 1 76 76 ASP N N 54 119.712 119.712 118.764 0.948 17995
7274 1 16 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.590 -0.210 17995
7275 1 16 . 1 1 76 76 ASP C C 54 174.118 174.118 175.438 -1.320 17995
7276 1 16 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.652 -0.789 17995
7277 1 16 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.270 -0.114 17995
7278 1 16 . 1 1 76 76 ASP H H 54 7.596 7.596 8.130 -0.534 17995
7279 1 16 . 1 1 77 77 PHE N N 55 113.804 113.804 116.505 -2.701 17995
7280 1 16 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.942 0.133 17995
7281 1 16 . 1 1 77 77 PHE C C 55 174.384 174.384 173.122 1.262 17995
7282 1 16 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.569 -1.133 17995
7283 1 16 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.505 0.125 17995
7284 1 16 . 1 1 77 77 PHE H H 55 7.725 7.725 7.859 -0.134 17995
7285 1 16 . 1 1 78 78 SER N N 56 114.319 114.319 115.782 -1.463 17995
7286 1 16 . 1 1 78 78 SER HA H 56 5.149 5.149 4.765 0.384 17995
7287 1 16 . 1 1 78 78 SER C C 56 174.100 174.100 173.409 0.691 17995
7288 1 16 . 1 1 78 78 SER CA C 56 56.800 56.800 56.222 0.578 17995
7289 1 16 . 1 1 78 78 SER CB C 56 65.011 65.011 63.572 1.439 17995
7290 1 16 . 1 1 78 78 SER H H 56 8.727 8.727 8.336 0.391 17995
7291 1 16 . 1 1 79 79 VAL N N 57 128.316 128.316 127.746 0.570 17995
7292 1 16 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.886 0.358 17995
7293 1 16 . 1 1 79 79 VAL C C 57 175.637 175.637 175.230 0.407 17995
7294 1 16 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.565 -0.811 17995
7295 1 16 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.096 0.777 17995
7296 1 16 . 1 1 79 79 VAL H H 57 10.222 10.222 8.047 2.175 17995
7297 1 16 . 1 1 80 80 ASP N N 58 130.058 130.058 126.899 3.159 17995
7298 1 16 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.455 0.391 17995
7299 1 16 . 1 1 80 80 ASP C C 58 177.205 177.205 176.742 0.463 17995
7300 1 16 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.784 -1.308 17995
7301 1 16 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.036 -0.371 17995
7302 1 16 . 1 1 80 80 ASP H H 58 9.396 9.396 8.118 1.278 17995
7303 1 16 . 1 1 81 81 ASP N N 59 122.564 122.564 124.325 -1.761 17995
7304 1 16 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.403 -0.123 17995
7305 1 16 . 1 1 81 81 ASP C C 59 177.291 177.291 176.525 0.766 17995
7306 1 16 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.467 0.993 17995
7307 1 16 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.131 -0.401 17995
7308 1 16 . 1 1 81 81 ASP H H 59 8.696 8.696 8.813 -0.117 17995
7309 1 16 . 1 1 82 82 ASP N N 60 115.817 115.817 117.621 -1.804 17995
7310 1 16 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.541 0.018 17995
7311 1 16 . 1 1 82 82 ASP C C 60 176.939 176.939 177.128 -0.189 17995
7312 1 16 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.692 -0.831 17995
7313 1 16 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.394 -0.979 17995
7314 1 16 . 1 1 82 82 ASP H H 60 8.460 8.460 7.898 0.562 17995
7315 1 16 . 1 1 83 83 GLU N N 61 118.478 118.478 118.508 -0.030 17995
7316 1 16 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.434 -0.133 17995
7317 1 16 . 1 1 83 83 GLU C C 61 175.841 175.841 177.016 -1.175 17995
7318 1 16 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.035 0.269 17995
7319 1 16 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.684 0.807 17995
7320 1 16 . 1 1 83 83 GLU H H 61 7.903 7.903 7.717 0.186 17995
7321 1 16 . 1 1 84 84 ILE N N 62 117.759 117.759 122.218 -4.459 17995
7322 1 16 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.827 0.338 17995
7323 1 16 . 1 1 84 84 ILE C C 62 174.069 174.069 175.009 -0.940 17995
7324 1 16 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.394 -2.900 17995
7325 1 16 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.961 2.174 17995
7326 1 16 . 1 1 84 84 ILE H H 62 7.396 7.396 7.528 -0.132 17995
7327 1 16 . 1 1 85 85 SER N N 63 119.980 119.980 121.539 -1.559 17995
7328 1 16 . 1 1 85 85 SER HA H 63 4.789 4.789 4.695 0.094 17995
7329 1 16 . 1 1 85 85 SER CA C 63 56.772 56.772 56.113 0.659 17995
7330 1 16 . 1 1 85 85 SER CB C 63 66.916 66.916 65.917 0.999 17995
7331 1 16 . 1 1 85 85 SER H H 63 8.384 8.384 8.125 0.259 17995
7332 1 16 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.306 -0.279 17995
7333 1 16 . 1 1 86 86 ALA C C 64 180.211 180.211 179.575 0.636 17995
7334 1 16 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.619 0.882 17995
7335 1 16 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.723 -0.713 17995
7336 1 16 . 1 1 87 87 GLN N N 65 116.123 116.123 114.960 1.163 17995
7337 1 16 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.317 -0.252 17995
7338 1 16 . 1 1 87 87 GLN C C 65 178.564 178.564 177.057 1.507 17995
7339 1 16 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.093 1.647 17995
7340 1 16 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.195 0.248 17995
7341 1 16 . 1 1 87 87 GLN H H 65 7.990 7.990 7.719 0.271 17995
7342 1 16 . 1 1 88 88 THR N N 66 119.153 119.153 114.419 4.734 17995
7343 1 16 . 1 1 88 88 THR HA H 66 3.631 3.631 3.726 -0.095 17995
7344 1 16 . 1 1 88 88 THR C C 66 174.748 174.748 174.244 0.504 17995
7345 1 16 . 1 1 88 88 THR CA C 66 66.591 66.591 65.105 1.486 17995
7346 1 16 . 1 1 88 88 THR CB C 66 68.702 68.702 68.625 0.077 17995
7347 1 16 . 1 1 88 88 THR H H 66 7.738 7.738 7.304 0.434 17995
7348 1 16 . 1 1 89 89 PHE N N 67 115.088 115.088 116.615 -1.527 17995
7349 1 16 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.714 -0.477 17995
7350 1 16 . 1 1 89 89 PHE C C 67 173.600 173.600 176.803 -3.203 17995
7351 1 16 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.544 -0.022 17995
7352 1 16 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.379 0.327 17995
7353 1 16 . 1 1 89 89 PHE H H 67 7.180 7.180 7.434 -0.254 17995
7354 1 16 . 1 1 90 90 GLU N N 68 122.222 122.222 120.084 2.138 17995
7355 1 16 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.127 0.040 17995
7356 1 16 . 1 1 90 90 GLU C C 68 178.581 178.581 176.771 1.810 17995
7357 1 16 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.269 1.457 17995
7358 1 16 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.716 1.032 17995
7359 1 16 . 1 1 90 90 GLU H H 68 7.421 7.421 8.030 -0.609 17995
7360 1 16 . 1 1 91 91 THR N N 69 106.383 106.383 107.871 -1.488 17995
7361 1 16 . 1 1 91 91 THR HA H 69 5.477 5.477 4.934 0.543 17995
7362 1 16 . 1 1 91 91 THR C C 69 174.775 174.775 174.767 0.008 17995
7363 1 16 . 1 1 91 91 THR CA C 69 58.798 58.798 59.545 -0.747 17995
7364 1 16 . 1 1 91 91 THR CB C 69 74.841 74.841 72.854 1.987 17995
7365 1 16 . 1 1 91 91 THR H H 69 8.534 8.534 7.311 1.223 17995
7366 1 16 . 1 1 92 92 LEU N N 70 120.326 120.326 122.437 -2.111 17995
7367 1 16 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.133 0.010 17995
7368 1 16 . 1 1 92 92 LEU C C 70 178.174 178.174 178.088 0.086 17995
7369 1 16 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.497 0.769 17995
7370 1 16 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.221 -1.351 17995
7371 1 16 . 1 1 92 92 LEU H H 70 7.991 7.991 8.451 -0.460 17995
7372 1 16 . 1 1 93 93 GLY N N 71 106.588 106.588 105.174 1.414 17995
7373 1 16 . 1 1 93 93 GLY C C 71 175.300 175.300 176.174 -0.874 17995
7374 1 16 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.498 -0.161 17995
7375 1 16 . 1 1 93 93 GLY H H 71 9.019 9.019 8.322 0.697 17995
7376 1 16 . 1 1 94 94 SER N N 72 120.200 120.200 118.311 1.889 17995
7377 1 16 . 1 1 94 94 SER HA H 72 4.090 4.090 4.388 -0.298 17995
7378 1 16 . 1 1 94 94 SER C C 72 177.631 177.631 176.251 1.380 17995
7379 1 16 . 1 1 94 94 SER CA C 72 62.329 62.329 61.603 0.726 17995
7380 1 16 . 1 1 94 94 SER H H 72 8.709 8.709 7.459 1.250 17995
7381 1 16 . 1 1 95 95 LEU N N 73 129.169 129.169 122.341 6.828 17995
7382 1 16 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.870 0.370 17995
7383 1 16 . 1 1 95 95 LEU C C 73 176.439 176.439 179.205 -2.766 17995
7384 1 16 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.230 0.571 17995
7385 1 16 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.144 1.715 17995
7386 1 16 . 1 1 95 95 LEU H H 73 7.800 7.800 7.401 0.399 17995
7387 1 16 . 1 1 96 96 ALA N N 74 121.721 121.721 122.007 -0.286 17995
7388 1 16 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.956 0.033 17995
7389 1 16 . 1 1 96 96 ALA C C 74 180.456 180.456 179.676 0.780 17995
7390 1 16 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.328 0.374 17995
7391 1 16 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.275 -0.559 17995
7392 1 16 . 1 1 96 96 ALA H H 74 8.612 8.612 8.241 0.371 17995
7393 1 16 . 1 1 97 97 LEU N N 75 122.095 122.095 119.361 2.734 17995
7394 1 16 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.961 0.096 17995
7395 1 16 . 1 1 97 97 LEU C C 75 178.805 178.805 179.260 -0.455 17995
7396 1 16 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.024 -0.255 17995
7397 1 16 . 1 1 97 97 LEU CB C 75 41.822 41.822 41.036 0.786 17995
7398 1 16 . 1 1 97 97 LEU H H 75 8.777 8.777 7.802 0.975 17995
7399 1 16 . 1 1 98 98 PHE N N 76 122.741 122.741 117.516 5.225 17995
7400 1 16 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.269 -0.007 17995
7401 1 16 . 1 1 98 98 PHE C C 76 176.878 176.878 178.636 -1.758 17995
7402 1 16 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.333 -1.101 17995
7403 1 16 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.419 0.130 17995
7404 1 16 . 1 1 98 98 PHE H H 76 7.889 7.889 8.250 -0.361 17995
7405 1 16 . 1 1 99 99 VAL N N 77 119.641 119.641 116.307 3.334 17995
7406 1 16 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.719 -0.941 17995
7407 1 16 . 1 1 99 99 VAL C C 77 176.414 176.414 177.931 -1.517 17995
7408 1 16 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.071 0.897 17995
7409 1 16 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.416 0.770 17995
7410 1 16 . 1 1 99 99 VAL H H 77 7.599 7.599 8.340 -0.741 17995
7411 1 16 . 1 1 100 100 GLU N N 78 118.850 118.850 121.844 -2.994 17995
7412 1 16 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.199 -0.426 17995
7413 1 16 . 1 1 100 100 GLU C C 78 179.007 179.007 179.102 -0.095 17995
7414 1 16 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.600 -0.060 17995
7415 1 16 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.936 0.843 17995
7416 1 16 . 1 1 100 100 GLU H H 78 7.740 7.740 8.244 -0.504 17995
7417 1 16 . 1 1 101 101 HIS N N 79 120.328 120.328 117.357 2.971 17995
7418 1 16 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.323 -0.122 17995
7419 1 16 . 1 1 101 101 HIS C C 79 178.242 178.242 177.430 0.812 17995
7420 1 16 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.713 -0.475 17995
7421 1 16 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.889 0.049 17995
7422 1 16 . 1 1 101 101 HIS H H 79 8.354 8.354 7.719 0.635 17995
7423 1 16 . 1 1 102 102 LYS N N 80 121.044 121.044 117.551 3.493 17995
7424 1 16 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.268 -0.701 17995
7425 1 16 . 1 1 102 102 LYS C C 80 179.199 179.199 179.427 -0.228 17995
7426 1 16 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.416 -1.429 17995
7427 1 16 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.522 -2.346 17995
7428 1 16 . 1 1 102 102 LYS H H 80 7.908 7.908 7.934 -0.026 17995
7429 1 16 . 1 1 103 103 LEU N N 81 118.698 118.698 118.846 -0.148 17995
7430 1 16 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.314 -0.156 17995
7431 1 16 . 1 1 103 103 LEU C C 81 178.593 178.593 178.206 0.387 17995
7432 1 16 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.199 0.197 17995
7433 1 16 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.565 1.744 17995
7434 1 16 . 1 1 103 103 LEU H H 81 7.784 7.784 8.246 -0.462 17995
7435 1 16 . 1 1 104 104 SER N N 82 114.826 114.826 112.733 2.093 17995
7436 1 16 . 1 1 104 104 SER HA H 82 4.358 4.358 4.499 -0.141 17995
7437 1 16 . 1 1 104 104 SER C C 82 174.810 174.810 173.737 1.073 17995
7438 1 16 . 1 1 104 104 SER CA C 82 59.567 59.567 59.417 0.150 17995
7439 1 16 . 1 1 104 104 SER CB C 82 63.859 63.859 63.575 0.284 17995
7440 1 16 . 1 1 104 104 SER H H 82 7.738 7.738 7.965 -0.227 17995
7441 1 17 . 1 1 24 24 GLN N N 2 121.730 121.730 120.835 0.895 17995
7442 1 17 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.439 -0.477 17995
7443 1 17 . 1 1 24 24 GLN C C 2 177.291 177.291 177.601 -0.310 17995
7444 1 17 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.254 1.137 17995
7445 1 17 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.329 -0.619 17995
7446 1 17 . 1 1 24 24 GLN H H 2 8.511 8.511 9.083 -0.572 17995
7447 1 17 . 1 1 25 25 HIS N N 3 116.878 116.878 121.091 -4.213 17995
7448 1 17 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.602 0.501 17995
7449 1 17 . 1 1 25 25 HIS C C 3 175.501 175.501 177.255 -1.754 17995
7450 1 17 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.849 -1.502 17995
7451 1 17 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.956 0.671 17995
7452 1 17 . 1 1 25 25 HIS H H 3 8.216 8.216 8.276 -0.060 17995
7453 1 17 . 1 1 26 26 LEU N N 4 121.540 121.540 118.857 2.683 17995
7454 1 17 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.105 -0.412 17995
7455 1 17 . 1 1 26 26 LEU C C 4 177.649 177.649 178.283 -0.634 17995
7456 1 17 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.057 1.646 17995
7457 1 17 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.052 1.283 17995
7458 1 17 . 1 1 26 26 LEU H H 4 7.447 7.447 8.187 -0.740 17995
7459 1 17 . 1 1 27 27 GLU N N 5 118.441 118.441 120.060 -1.619 17995
7460 1 17 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.920 -0.029 17995
7461 1 17 . 1 1 27 27 GLU C C 5 178.162 178.162 178.390 -0.228 17995
7462 1 17 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.361 0.261 17995
7463 1 17 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.553 -0.476 17995
7464 1 17 . 1 1 27 27 GLU H H 5 8.561 8.561 7.829 0.732 17995
7465 1 17 . 1 1 28 28 ALA N N 6 122.005 122.005 121.676 0.329 17995
7466 1 17 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.167 -0.035 17995
7467 1 17 . 1 1 28 28 ALA C C 6 180.421 180.421 180.042 0.379 17995
7468 1 17 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.752 0.527 17995
7469 1 17 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.330 0.436 17995
7470 1 17 . 1 1 28 28 ALA H H 6 8.205 8.205 7.696 0.509 17995
7471 1 17 . 1 1 29 29 VAL N N 7 116.985 116.985 119.648 -2.663 17995
7472 1 17 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.737 -0.228 17995
7473 1 17 . 1 1 29 29 VAL C C 7 177.034 177.034 177.780 -0.746 17995
7474 1 17 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.718 -0.355 17995
7475 1 17 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.627 -0.188 17995
7476 1 17 . 1 1 29 29 VAL H H 7 8.392 8.392 8.106 0.286 17995
7477 1 17 . 1 1 30 30 ARG N N 8 121.674 121.674 119.179 2.495 17995
7478 1 17 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.061 -0.397 17995
7479 1 17 . 1 1 30 30 ARG C C 8 177.810 177.810 178.353 -0.543 17995
7480 1 17 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.178 1.347 17995
7481 1 17 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.371 1.295 17995
7482 1 17 . 1 1 30 30 ARG H H 8 8.784 8.784 8.298 0.486 17995
7483 1 17 . 1 1 31 31 ASN N N 9 118.102 118.102 119.017 -0.915 17995
7484 1 17 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.510 -0.226 17995
7485 1 17 . 1 1 31 31 ASN C C 9 177.890 177.890 177.287 0.603 17995
7486 1 17 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.107 0.147 17995
7487 1 17 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.201 -0.613 17995
7488 1 17 . 1 1 31 31 ASN H H 9 8.144 8.144 7.899 0.245 17995
7489 1 17 . 1 1 32 32 ILE N N 10 123.614 123.614 120.241 3.373 17995
7490 1 17 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.522 0.270 17995
7491 1 17 . 1 1 32 32 ILE C C 10 177.810 177.810 177.707 0.103 17995
7492 1 17 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.198 0.060 17995
7493 1 17 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.972 0.762 17995
7494 1 17 . 1 1 32 32 ILE H H 10 8.137 8.137 7.775 0.362 17995
7495 1 17 . 1 1 33 33 LEU N N 11 119.797 119.797 120.151 -0.354 17995
7496 1 17 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.991 -0.205 17995
7497 1 17 . 1 1 33 33 LEU C C 11 179.039 179.039 179.423 -0.384 17995
7498 1 17 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.013 0.697 17995
7499 1 17 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.436 0.640 17995
7500 1 17 . 1 1 33 33 LEU H H 11 8.637 8.637 8.276 0.361 17995
7501 1 17 . 1 1 34 34 GLY N N 12 103.682 103.682 105.527 -1.845 17995
7502 1 17 . 1 1 34 34 GLY C C 12 175.242 175.242 175.174 0.068 17995
7503 1 17 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.823 0.895 17995
7504 1 17 . 1 1 34 34 GLY H H 12 8.513 8.513 8.386 0.127 17995
7505 1 17 . 1 1 35 35 ASP N N 13 122.235 122.235 121.482 0.753 17995
7506 1 17 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.578 0.007 17995
7507 1 17 . 1 1 35 35 ASP C C 13 179.013 179.013 177.988 1.025 17995
7508 1 17 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.276 0.640 17995
7509 1 17 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.166 -0.120 17995
7510 1 17 . 1 1 35 35 ASP H H 13 7.968 7.968 7.649 0.319 17995
7511 1 17 . 1 1 36 36 VAL N N 14 120.841 120.841 119.397 1.444 17995
7512 1 17 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.760 -0.083 17995
7513 1 17 . 1 1 36 36 VAL C C 14 177.797 177.797 177.830 -0.033 17995
7514 1 17 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.722 0.282 17995
7515 1 17 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.104 0.128 17995
7516 1 17 . 1 1 36 36 VAL H H 14 8.765 8.765 8.173 0.592 17995
7517 1 17 . 1 1 37 37 LEU N N 15 114.630 114.630 115.294 -0.664 17995
7518 1 17 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.344 -0.063 17995
7519 1 17 . 1 1 37 37 LEU C C 15 175.483 175.483 176.767 -1.284 17995
7520 1 17 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.669 -0.499 17995
7521 1 17 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.889 -0.195 17995
7522 1 17 . 1 1 37 37 LEU H H 15 7.942 7.942 7.946 -0.004 17995
7523 1 17 . 1 1 38 38 ASN N N 16 116.887 116.887 116.026 0.861 17995
7524 1 17 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.579 -0.045 17995
7525 1 17 . 1 1 38 38 ASN C C 16 175.668 175.668 175.370 0.298 17995
7526 1 17 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.840 0.080 17995
7527 1 17 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.634 -0.776 17995
7528 1 17 . 1 1 38 38 ASN H H 16 7.561 7.561 7.964 -0.403 17995
7529 1 17 . 1 1 39 39 LEU N N 17 114.676 114.676 118.330 -3.654 17995
7530 1 17 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.174 -0.104 17995
7531 1 17 . 1 1 39 39 LEU C C 17 178.415 178.415 178.283 0.132 17995
7532 1 17 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.046 -0.302 17995
7533 1 17 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.288 1.988 17995
7534 1 17 . 1 1 39 39 LEU H H 17 8.233 8.233 8.285 -0.052 17995
7535 1 17 . 1 1 40 40 GLY N N 18 109.665 109.665 107.423 2.242 17995
7536 1 17 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.728 -0.423 17995
7537 1 17 . 1 1 40 40 GLY H H 18 8.678 8.678 7.789 0.889 17995
7538 1 17 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.241 -0.113 17995
7539 1 17 . 1 1 41 41 GLU C C 19 178.328 178.328 178.859 -0.531 17995
7540 1 17 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.423 0.841 17995
7541 1 17 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.735 -0.655 17995
7542 1 17 . 1 1 42 42 ARG N N 20 118.936 118.936 120.336 -1.400 17995
7543 1 17 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.180 -0.005 17995
7544 1 17 . 1 1 42 42 ARG C C 20 178.912 178.912 177.938 0.974 17995
7545 1 17 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.463 -0.226 17995
7546 1 17 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.313 -0.257 17995
7547 1 17 . 1 1 42 42 ARG H H 20 7.979 7.979 7.785 0.194 17995
7548 1 17 . 1 1 43 43 LYS N N 21 119.087 119.087 115.512 3.575 17995
7549 1 17 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.066 -0.318 17995
7550 1 17 . 1 1 43 43 LYS C C 21 176.559 176.559 177.740 -1.181 17995
7551 1 17 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.766 0.332 17995
7552 1 17 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.482 0.499 17995
7553 1 17 . 1 1 43 43 LYS H H 21 7.719 7.719 8.230 -0.511 17995
7554 1 17 . 1 1 44 44 HIS N N 22 115.571 115.571 117.424 -1.853 17995
7555 1 17 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.538 -0.110 17995
7556 1 17 . 1 1 44 44 HIS C C 22 176.288 176.288 176.100 0.188 17995
7557 1 17 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.589 -0.805 17995
7558 1 17 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.830 -0.360 17995
7559 1 17 . 1 1 44 44 HIS H H 22 7.124 7.124 7.744 -0.620 17995
7560 1 17 . 1 1 45 45 THR N N 23 107.890 107.890 112.847 -4.957 17995
7561 1 17 . 1 1 45 45 THR HA H 23 4.355 4.355 4.232 0.123 17995
7562 1 17 . 1 1 45 45 THR C C 23 174.650 174.650 175.248 -0.598 17995
7563 1 17 . 1 1 45 45 THR CA C 23 61.627 61.627 62.860 -1.233 17995
7564 1 17 . 1 1 45 45 THR CB C 23 69.475 69.475 69.305 0.170 17995
7565 1 17 . 1 1 45 45 THR H H 23 7.441 7.441 7.595 -0.154 17995
7566 1 17 . 1 1 46 46 LEU N N 24 121.435 121.435 119.486 1.949 17995
7567 1 17 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.789 -0.166 17995
7568 1 17 . 1 1 46 46 LEU C C 24 176.537 176.537 175.505 1.032 17995
7569 1 17 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.308 1.282 17995
7570 1 17 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.998 0.119 17995
7571 1 17 . 1 1 46 46 LEU H H 24 7.059 7.059 7.298 -0.239 17995
7572 1 17 . 1 1 47 47 THR N N 25 116.104 116.104 112.667 3.437 17995
7573 1 17 . 1 1 47 47 THR HA H 25 4.605 4.605 4.554 0.051 17995
7574 1 17 . 1 1 47 47 THR C C 25 175.526 175.526 175.959 -0.433 17995
7575 1 17 . 1 1 47 47 THR CA C 25 59.878 59.878 59.524 0.354 17995
7576 1 17 . 1 1 47 47 THR CB C 25 71.752 71.752 71.148 0.604 17995
7577 1 17 . 1 1 47 47 THR H H 25 9.432 9.432 7.858 1.574 17995
7578 1 17 . 1 1 48 48 ALA N N 26 122.234 122.234 121.680 0.554 17995
7579 1 17 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.133 -0.324 17995
7580 1 17 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.576 1.017 17995
7581 1 17 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.409 0.245 17995
7582 1 17 . 1 1 48 48 ALA H H 26 9.142 9.142 8.617 0.525 17995
7583 1 17 . 1 1 49 49 SER HA H 27 4.448 4.448 4.413 0.035 17995
7584 1 17 . 1 1 49 49 SER C C 27 174.637 174.637 174.253 0.384 17995
7585 1 17 . 1 1 49 49 SER CA C 27 58.348 58.348 59.167 -0.820 17995
7586 1 17 . 1 1 49 49 SER CB C 27 63.704 63.704 63.061 0.643 17995
7587 1 17 . 1 1 50 50 SER N N 28 122.032 122.032 117.523 4.509 17995
7588 1 17 . 1 1 50 50 SER HA H 28 4.269 4.269 4.465 -0.196 17995
7589 1 17 . 1 1 50 50 SER C C 28 172.904 172.904 173.441 -0.537 17995
7590 1 17 . 1 1 50 50 SER CA C 28 60.846 60.846 57.476 3.370 17995
7591 1 17 . 1 1 50 50 SER CB C 28 63.063 63.063 63.802 -0.739 17995
7592 1 17 . 1 1 50 50 SER H H 28 8.157 8.157 7.448 0.709 17995
7593 1 17 . 1 1 51 51 VAL N N 29 127.079 127.079 126.717 0.362 17995
7594 1 17 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.314 0.028 17995
7595 1 17 . 1 1 51 51 VAL C C 29 176.612 176.612 175.670 0.942 17995
7596 1 17 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.816 -0.368 17995
7597 1 17 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.596 -0.372 17995
7598 1 17 . 1 1 51 51 VAL H H 29 8.505 8.505 8.597 -0.092 17995
7599 1 17 . 1 1 52 52 LEU N N 30 126.014 126.014 124.578 1.436 17995
7600 1 17 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.619 0.176 17995
7601 1 17 . 1 1 52 52 LEU C C 30 176.569 176.569 177.500 -0.931 17995
7602 1 17 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.211 -0.679 17995
7603 1 17 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.022 -2.018 17995
7604 1 17 . 1 1 52 52 LEU H H 30 7.954 7.954 8.345 -0.391 17995
7605 1 17 . 1 1 53 53 LEU N N 31 122.601 122.601 119.870 2.731 17995
7606 1 17 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.844 0.242 17995
7607 1 17 . 1 1 53 53 LEU C C 31 177.683 177.683 178.661 -0.978 17995
7608 1 17 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.635 0.739 17995
7609 1 17 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.227 0.592 17995
7610 1 17 . 1 1 53 53 LEU H H 31 7.777 7.777 7.565 0.212 17995
7611 1 17 . 1 1 54 54 GLY N N 32 114.941 114.941 113.396 1.545 17995
7612 1 17 . 1 1 54 54 GLY C C 32 173.612 173.612 174.348 -0.736 17995
7613 1 17 . 1 1 54 54 GLY CA C 32 45.558 45.558 46.136 -0.578 17995
7614 1 17 . 1 1 54 54 GLY H H 32 9.121 9.121 8.562 0.559 17995
7615 1 17 . 1 1 55 55 ASN N N 33 117.901 117.901 118.575 -0.674 17995
7616 1 17 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.728 0.202 17995
7617 1 17 . 1 1 55 55 ASN C C 33 174.458 174.458 175.910 -1.452 17995
7618 1 17 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.243 -0.424 17995
7619 1 17 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.283 2.264 17995
7620 1 17 . 1 1 55 55 ASN H H 33 7.789 7.789 8.038 -0.249 17995
7621 1 17 . 1 1 56 56 ILE N N 34 120.163 120.163 122.939 -2.776 17995
7622 1 17 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.316 0.221 17995
7623 1 17 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.190 -0.189 17995
7624 1 17 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.644 1.449 17995
7625 1 17 . 1 1 56 56 ILE H H 34 7.703 7.703 7.899 -0.196 17995
7626 1 17 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.411 -0.238 17995
7627 1 17 . 1 1 57 57 PRO C C 35 177.969 177.969 176.629 1.340 17995
7628 1 17 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.340 0.936 17995
7629 1 17 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.914 0.020 17995
7630 1 17 . 1 1 58 58 GLU N N 36 116.701 116.701 116.632 0.069 17995
7631 1 17 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.378 -0.406 17995
7632 1 17 . 1 1 58 58 GLU C C 36 176.612 176.612 176.066 0.546 17995
7633 1 17 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.918 3.429 17995
7634 1 17 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.678 0.154 17995
7635 1 17 . 1 1 58 58 GLU H H 36 9.581 9.581 8.556 1.025 17995
7636 1 17 . 1 1 59 59 LEU N N 37 121.189 121.189 124.075 -2.886 17995
7637 1 17 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.465 -0.153 17995
7638 1 17 . 1 1 59 59 LEU C C 37 173.353 173.353 175.369 -2.016 17995
7639 1 17 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.425 -1.147 17995
7640 1 17 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.111 0.888 17995
7641 1 17 . 1 1 59 59 LEU H H 37 7.560 7.560 7.407 0.153 17995
7642 1 17 . 1 1 60 60 ASP N N 38 126.468 126.468 123.512 2.956 17995
7643 1 17 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.780 -0.065 17995
7644 1 17 . 1 1 60 60 ASP C C 38 175.828 175.828 176.941 -1.113 17995
7645 1 17 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.352 -1.432 17995
7646 1 17 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.273 -2.717 17995
7647 1 17 . 1 1 60 60 ASP H H 38 7.527 7.527 7.687 -0.160 17995
7648 1 17 . 1 1 61 61 SER N N 39 113.128 113.128 115.559 -2.431 17995
7649 1 17 . 1 1 61 61 SER HA H 39 4.019 4.019 4.210 -0.192 17995
7650 1 17 . 1 1 61 61 SER C C 39 175.854 175.854 176.823 -0.969 17995
7651 1 17 . 1 1 61 61 SER CA C 39 61.276 61.276 61.647 -0.371 17995
7652 1 17 . 1 1 61 61 SER CB C 39 65.520 65.520 62.936 2.584 17995
7653 1 17 . 1 1 61 61 SER H H 39 8.623 8.623 8.515 0.108 17995
7654 1 17 . 1 1 62 62 MET N N 40 121.706 121.706 119.224 2.482 17995
7655 1 17 . 1 1 62 62 MET HA H 40 4.303 4.303 4.362 -0.059 17995
7656 1 17 . 1 1 62 62 MET C C 40 177.755 177.755 177.919 -0.164 17995
7657 1 17 . 1 1 62 62 MET CA C 40 57.714 57.714 56.129 1.585 17995
7658 1 17 . 1 1 62 62 MET CB C 40 32.386 32.386 31.247 1.139 17995
7659 1 17 . 1 1 62 62 MET H H 40 7.802 7.802 8.542 -0.740 17995
7660 1 17 . 1 1 63 63 ALA N N 41 124.277 124.277 121.877 2.400 17995
7661 1 17 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.186 -0.015 17995
7662 1 17 . 1 1 63 63 ALA C C 41 179.893 179.893 179.624 0.269 17995
7663 1 17 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.023 0.078 17995
7664 1 17 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.812 1.844 17995
7665 1 17 . 1 1 63 63 ALA H H 41 8.295 8.295 8.278 0.017 17995
7666 1 17 . 1 1 64 64 VAL N N 42 118.186 118.186 116.459 1.727 17995
7667 1 17 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.527 -0.534 17995
7668 1 17 . 1 1 64 64 VAL C C 42 177.327 177.327 177.282 0.045 17995
7669 1 17 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.429 1.883 17995
7670 1 17 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.090 0.102 17995
7671 1 17 . 1 1 64 64 VAL H H 42 8.019 8.019 7.668 0.351 17995
7672 1 17 . 1 1 65 65 VAL N N 43 118.361 118.361 121.142 -2.781 17995
7673 1 17 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.453 0.111 17995
7674 1 17 . 1 1 65 65 VAL C C 43 178.520 178.520 177.995 0.525 17995
7675 1 17 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.630 -0.073 17995
7676 1 17 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.967 0.533 17995
7677 1 17 . 1 1 65 65 VAL H H 43 6.942 6.942 7.269 -0.327 17995
7678 1 17 . 1 1 66 66 ASN N N 44 119.476 119.476 118.514 0.962 17995
7679 1 17 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.493 0.069 17995
7680 1 17 . 1 1 66 66 ASN C C 44 178.760 178.760 178.164 0.596 17995
7681 1 17 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.340 -0.504 17995
7682 1 17 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.313 -0.506 17995
7683 1 17 . 1 1 66 66 ASN H H 44 7.789 7.789 8.145 -0.356 17995
7684 1 17 . 1 1 67 67 VAL N N 45 124.029 124.029 116.174 7.855 17995
7685 1 17 . 1 1 67 67 VAL HA H 45 3.618 3.618 4.041 -0.423 17995
7686 1 17 . 1 1 67 67 VAL C C 45 177.100 177.100 177.842 -0.742 17995
7687 1 17 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.606 1.760 17995
7688 1 17 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.694 -0.234 17995
7689 1 17 . 1 1 67 67 VAL H H 45 9.055 9.055 7.643 1.412 17995
7690 1 17 . 1 1 68 68 ILE N N 46 121.006 121.006 122.772 -1.766 17995
7691 1 17 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.802 -0.014 17995
7692 1 17 . 1 1 68 68 ILE C C 46 177.871 177.871 177.861 0.010 17995
7693 1 17 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.944 -0.682 17995
7694 1 17 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.597 -1.430 17995
7695 1 17 . 1 1 68 68 ILE H H 46 8.509 8.509 7.778 0.731 17995
7696 1 17 . 1 1 69 69 THR N N 47 116.096 116.096 115.817 0.279 17995
7697 1 17 . 1 1 69 69 THR HA H 47 4.391 4.391 3.867 0.524 17995
7698 1 17 . 1 1 69 69 THR C C 47 176.365 176.365 176.244 0.121 17995
7699 1 17 . 1 1 69 69 THR CA C 47 66.256 66.256 66.856 -0.600 17995
7700 1 17 . 1 1 69 69 THR CB C 47 69.098 69.098 68.578 0.520 17995
7701 1 17 . 1 1 69 69 THR H H 47 8.512 8.512 7.863 0.649 17995
7702 1 17 . 1 1 70 70 ALA N N 48 123.948 123.948 124.565 -0.617 17995
7703 1 17 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.119 0.184 17995
7704 1 17 . 1 1 70 70 ALA C C 48 181.452 181.452 179.661 1.791 17995
7705 1 17 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.375 -0.192 17995
7706 1 17 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.280 1.142 17995
7707 1 17 . 1 1 70 70 ALA H H 48 7.802 7.802 7.902 -0.100 17995
7708 1 17 . 1 1 71 71 LEU N N 49 121.199 121.199 119.332 1.867 17995
7709 1 17 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.312 -0.089 17995
7710 1 17 . 1 1 71 71 LEU C C 49 178.192 178.192 179.661 -1.469 17995
7711 1 17 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.593 -0.032 17995
7712 1 17 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.082 1.369 17995
7713 1 17 . 1 1 71 71 LEU H H 49 8.802 8.802 8.217 0.585 17995
7714 1 17 . 1 1 72 72 GLU N N 50 119.782 119.782 118.155 1.627 17995
7715 1 17 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.968 -0.478 17995
7716 1 17 . 1 1 72 72 GLU C C 50 180.303 180.303 179.580 0.723 17995
7717 1 17 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.182 0.669 17995
7718 1 17 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.893 2.215 17995
7719 1 17 . 1 1 72 72 GLU H H 50 8.762 8.762 8.028 0.734 17995
7720 1 17 . 1 1 73 73 GLU N N 51 116.902 116.902 118.293 -1.391 17995
7721 1 17 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.128 -0.076 17995
7722 1 17 . 1 1 73 73 GLU C C 51 178.334 178.334 179.000 -0.666 17995
7723 1 17 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.644 -0.026 17995
7724 1 17 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.286 0.796 17995
7725 1 17 . 1 1 73 73 GLU H H 51 7.953 7.953 7.771 0.182 17995
7726 1 17 . 1 1 74 74 TYR N N 52 119.999 119.999 117.344 2.655 17995
7727 1 17 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.313 -0.431 17995
7728 1 17 . 1 1 74 74 TYR C C 52 177.384 177.384 177.913 -0.529 17995
7729 1 17 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.185 0.415 17995
7730 1 17 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.652 0.993 17995
7731 1 17 . 1 1 74 74 TYR H H 52 8.078 8.078 8.029 0.049 17995
7732 1 17 . 1 1 75 75 PHE N N 53 113.650 113.650 115.550 -1.900 17995
7733 1 17 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.525 -0.339 17995
7734 1 17 . 1 1 75 75 PHE C C 53 174.485 174.485 175.464 -0.979 17995
7735 1 17 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.299 -0.055 17995
7736 1 17 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.635 0.405 17995
7737 1 17 . 1 1 75 75 PHE H H 53 8.244 8.244 8.205 0.039 17995
7738 1 17 . 1 1 76 76 ASP N N 54 119.712 119.712 118.343 1.369 17995
7739 1 17 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.592 -0.212 17995
7740 1 17 . 1 1 76 76 ASP C C 54 174.118 174.118 175.443 -1.325 17995
7741 1 17 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.719 -0.856 17995
7742 1 17 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.955 0.201 17995
7743 1 17 . 1 1 76 76 ASP H H 54 7.596 7.596 8.229 -0.633 17995
7744 1 17 . 1 1 77 77 PHE N N 55 113.804 113.804 117.023 -3.219 17995
7745 1 17 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.995 0.080 17995
7746 1 17 . 1 1 77 77 PHE C C 55 174.384 174.384 173.517 0.867 17995
7747 1 17 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.167 -1.731 17995
7748 1 17 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.357 0.273 17995
7749 1 17 . 1 1 77 77 PHE H H 55 7.725 7.725 7.949 -0.224 17995
7750 1 17 . 1 1 78 78 SER N N 56 114.319 114.319 115.286 -0.967 17995
7751 1 17 . 1 1 78 78 SER HA H 56 5.149 5.149 4.796 0.353 17995
7752 1 17 . 1 1 78 78 SER C C 56 174.100 174.100 173.019 1.081 17995
7753 1 17 . 1 1 78 78 SER CA C 56 56.800 56.800 56.438 0.362 17995
7754 1 17 . 1 1 78 78 SER CB C 56 65.011 65.011 63.672 1.339 17995
7755 1 17 . 1 1 78 78 SER H H 56 8.727 8.727 8.300 0.427 17995
7756 1 17 . 1 1 79 79 VAL N N 57 128.316 128.316 128.482 -0.166 17995
7757 1 17 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.898 0.346 17995
7758 1 17 . 1 1 79 79 VAL C C 57 175.637 175.637 175.327 0.310 17995
7759 1 17 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.316 -1.562 17995
7760 1 17 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.946 0.927 17995
7761 1 17 . 1 1 79 79 VAL H H 57 10.222 10.222 8.015 2.207 17995
7762 1 17 . 1 1 80 80 ASP N N 58 130.058 130.058 126.677 3.381 17995
7763 1 17 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.530 0.316 17995
7764 1 17 . 1 1 80 80 ASP C C 58 177.205 177.205 176.842 0.363 17995
7765 1 17 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.477 -1.001 17995
7766 1 17 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.313 -0.648 17995
7767 1 17 . 1 1 80 80 ASP H H 58 9.396 9.396 8.201 1.195 17995
7768 1 17 . 1 1 81 81 ASP N N 59 122.564 122.564 125.150 -2.586 17995
7769 1 17 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.337 -0.057 17995
7770 1 17 . 1 1 81 81 ASP C C 59 177.291 177.291 177.531 -0.240 17995
7771 1 17 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.279 0.181 17995
7772 1 17 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.130 -0.400 17995
7773 1 17 . 1 1 81 81 ASP H H 59 8.696 8.696 8.797 -0.101 17995
7774 1 17 . 1 1 82 82 ASP N N 60 115.817 115.817 117.881 -2.064 17995
7775 1 17 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.539 0.020 17995
7776 1 17 . 1 1 82 82 ASP C C 60 176.939 176.939 177.481 -0.542 17995
7777 1 17 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.067 -1.206 17995
7778 1 17 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.236 -0.821 17995
7779 1 17 . 1 1 82 82 ASP H H 60 8.460 8.460 8.049 0.411 17995
7780 1 17 . 1 1 83 83 GLU N N 61 118.478 118.478 117.063 1.415 17995
7781 1 17 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.484 -0.183 17995
7782 1 17 . 1 1 83 83 GLU C C 61 175.841 175.841 177.243 -1.402 17995
7783 1 17 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.730 0.574 17995
7784 1 17 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.743 0.748 17995
7785 1 17 . 1 1 83 83 GLU H H 61 7.903 7.903 7.702 0.201 17995
7786 1 17 . 1 1 84 84 ILE N N 62 117.759 117.759 122.276 -4.517 17995
7787 1 17 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.970 0.195 17995
7788 1 17 . 1 1 84 84 ILE C C 62 174.069 174.069 175.120 -1.051 17995
7789 1 17 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.605 -3.111 17995
7790 1 17 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.317 1.818 17995
7791 1 17 . 1 1 84 84 ILE H H 62 7.396 7.396 7.524 -0.128 17995
7792 1 17 . 1 1 85 85 SER N N 63 119.980 119.980 121.276 -1.296 17995
7793 1 17 . 1 1 85 85 SER HA H 63 4.789 4.789 4.711 0.078 17995
7794 1 17 . 1 1 85 85 SER CA C 63 56.772 56.772 56.737 0.035 17995
7795 1 17 . 1 1 85 85 SER CB C 63 66.916 66.916 66.075 0.841 17995
7796 1 17 . 1 1 85 85 SER H H 63 8.384 8.384 8.117 0.267 17995
7797 1 17 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.246 -0.219 17995
7798 1 17 . 1 1 86 86 ALA C C 64 180.211 180.211 179.111 1.100 17995
7799 1 17 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.881 0.620 17995
7800 1 17 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.798 -0.788 17995
7801 1 17 . 1 1 87 87 GLN N N 65 116.123 116.123 114.128 1.995 17995
7802 1 17 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.288 -0.223 17995
7803 1 17 . 1 1 87 87 GLN C C 65 178.564 178.564 177.279 1.285 17995
7804 1 17 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.501 1.238 17995
7805 1 17 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.327 0.116 17995
7806 1 17 . 1 1 87 87 GLN H H 65 7.990 7.990 7.749 0.241 17995
7807 1 17 . 1 1 88 88 THR N N 66 119.153 119.153 114.869 4.284 17995
7808 1 17 . 1 1 88 88 THR HA H 66 3.631 3.631 3.605 0.026 17995
7809 1 17 . 1 1 88 88 THR C C 66 174.748 174.748 174.912 -0.164 17995
7810 1 17 . 1 1 88 88 THR CA C 66 66.591 66.591 64.611 1.980 17995
7811 1 17 . 1 1 88 88 THR CB C 66 68.702 68.702 68.902 -0.200 17995
7812 1 17 . 1 1 88 88 THR H H 66 7.738 7.738 7.299 0.439 17995
7813 1 17 . 1 1 89 89 PHE N N 67 115.088 115.088 118.105 -3.017 17995
7814 1 17 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.711 -0.474 17995
7815 1 17 . 1 1 89 89 PHE C C 67 173.600 173.600 176.302 -2.702 17995
7816 1 17 . 1 1 89 89 PHE CA C 67 57.522 57.522 56.826 0.696 17995
7817 1 17 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.398 1.308 17995
7818 1 17 . 1 1 89 89 PHE H H 67 7.180 7.180 7.435 -0.255 17995
7819 1 17 . 1 1 90 90 GLU N N 68 122.222 122.222 120.533 1.689 17995
7820 1 17 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.089 0.078 17995
7821 1 17 . 1 1 90 90 GLU C C 68 178.581 178.581 176.350 2.231 17995
7822 1 17 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.552 1.174 17995
7823 1 17 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.636 1.112 17995
7824 1 17 . 1 1 90 90 GLU H H 68 7.421 7.421 7.882 -0.461 17995
7825 1 17 . 1 1 91 91 THR N N 69 106.383 106.383 107.388 -1.005 17995
7826 1 17 . 1 1 91 91 THR HA H 69 5.477 5.477 4.945 0.532 17995
7827 1 17 . 1 1 91 91 THR C C 69 174.775 174.775 174.694 0.081 17995
7828 1 17 . 1 1 91 91 THR CA C 69 58.798 58.798 58.889 -0.091 17995
7829 1 17 . 1 1 91 91 THR CB C 69 74.841 74.841 72.985 1.856 17995
7830 1 17 . 1 1 91 91 THR H H 69 8.534 8.534 7.181 1.353 17995
7831 1 17 . 1 1 92 92 LEU N N 70 120.326 120.326 122.863 -2.537 17995
7832 1 17 . 1 1 92 92 LEU HA H 70 4.143 4.143 3.976 0.167 17995
7833 1 17 . 1 1 92 92 LEU C C 70 178.174 178.174 178.197 -0.023 17995
7834 1 17 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.777 0.489 17995
7835 1 17 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.888 -1.018 17995
7836 1 17 . 1 1 92 92 LEU H H 70 7.991 7.991 8.609 -0.618 17995
7837 1 17 . 1 1 93 93 GLY N N 71 106.588 106.588 105.336 1.252 17995
7838 1 17 . 1 1 93 93 GLY C C 71 175.300 175.300 175.895 -0.595 17995
7839 1 17 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.558 -0.221 17995
7840 1 17 . 1 1 93 93 GLY H H 71 9.019 9.019 8.223 0.796 17995
7841 1 17 . 1 1 94 94 SER N N 72 120.200 120.200 118.336 1.864 17995
7842 1 17 . 1 1 94 94 SER HA H 72 4.090 4.090 4.266 -0.176 17995
7843 1 17 . 1 1 94 94 SER C C 72 177.631 177.631 176.522 1.109 17995
7844 1 17 . 1 1 94 94 SER CA C 72 62.329 62.329 61.991 0.338 17995
7845 1 17 . 1 1 94 94 SER H H 72 8.709 8.709 7.422 1.287 17995
7846 1 17 . 1 1 95 95 LEU N N 73 129.169 129.169 121.005 8.164 17995
7847 1 17 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.811 0.429 17995
7848 1 17 . 1 1 95 95 LEU C C 73 176.439 176.439 178.815 -2.376 17995
7849 1 17 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.938 0.864 17995
7850 1 17 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.122 1.737 17995
7851 1 17 . 1 1 95 95 LEU H H 73 7.800 7.800 7.325 0.475 17995
7852 1 17 . 1 1 96 96 ALA N N 74 121.721 121.721 122.737 -1.016 17995
7853 1 17 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.965 0.024 17995
7854 1 17 . 1 1 96 96 ALA C C 74 180.456 180.456 179.914 0.542 17995
7855 1 17 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.309 0.393 17995
7856 1 17 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.375 -0.659 17995
7857 1 17 . 1 1 96 96 ALA H H 74 8.612 8.612 8.014 0.598 17995
7858 1 17 . 1 1 97 97 LEU N N 75 122.095 122.095 118.636 3.459 17995
7859 1 17 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.083 -0.026 17995
7860 1 17 . 1 1 97 97 LEU C C 75 178.805 178.805 179.514 -0.709 17995
7861 1 17 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.728 0.041 17995
7862 1 17 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.537 1.285 17995
7863 1 17 . 1 1 97 97 LEU H H 75 8.777 8.777 8.172 0.605 17995
7864 1 17 . 1 1 98 98 PHE N N 76 122.741 122.741 118.470 4.271 17995
7865 1 17 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.006 0.256 17995
7866 1 17 . 1 1 98 98 PHE C C 76 176.878 176.878 178.379 -1.501 17995
7867 1 17 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.188 -0.956 17995
7868 1 17 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.321 0.228 17995
7869 1 17 . 1 1 98 98 PHE H H 76 7.889 7.889 8.051 -0.162 17995
7870 1 17 . 1 1 99 99 VAL N N 77 119.641 119.641 115.692 3.949 17995
7871 1 17 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.588 -0.810 17995
7872 1 17 . 1 1 99 99 VAL C C 77 176.414 176.414 177.863 -1.449 17995
7873 1 17 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.172 0.796 17995
7874 1 17 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.155 0.031 17995
7875 1 17 . 1 1 99 99 VAL H H 77 7.599 7.599 8.377 -0.778 17995
7876 1 17 . 1 1 100 100 GLU N N 78 118.850 118.850 121.505 -2.655 17995
7877 1 17 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.240 -0.467 17995
7878 1 17 . 1 1 100 100 GLU C C 78 179.007 179.007 179.211 -0.204 17995
7879 1 17 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.492 0.049 17995
7880 1 17 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.086 0.692 17995
7881 1 17 . 1 1 100 100 GLU H H 78 7.740 7.740 8.232 -0.492 17995
7882 1 17 . 1 1 101 101 HIS N N 79 120.328 120.328 117.213 3.115 17995
7883 1 17 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.313 -0.112 17995
7884 1 17 . 1 1 101 101 HIS C C 79 178.242 178.242 177.217 1.025 17995
7885 1 17 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.212 1.026 17995
7886 1 17 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.122 -0.184 17995
7887 1 17 . 1 1 101 101 HIS H H 79 8.354 8.354 7.844 0.510 17995
7888 1 17 . 1 1 102 102 LYS N N 80 121.044 121.044 118.938 2.106 17995
7889 1 17 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.223 -0.656 17995
7890 1 17 . 1 1 102 102 LYS C C 80 179.199 179.199 178.753 0.446 17995
7891 1 17 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.589 -1.602 17995
7892 1 17 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.217 -2.041 17995
7893 1 17 . 1 1 102 102 LYS H H 80 7.908 7.908 7.942 -0.035 17995
7894 1 17 . 1 1 103 103 LEU N N 81 118.698 118.698 117.305 1.393 17995
7895 1 17 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.292 -0.134 17995
7896 1 17 . 1 1 103 103 LEU C C 81 178.593 178.593 178.077 0.516 17995
7897 1 17 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.436 -0.040 17995
7898 1 17 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.857 1.452 17995
7899 1 17 . 1 1 103 103 LEU H H 81 7.784 7.784 7.896 -0.112 17995
7900 1 17 . 1 1 104 104 SER N N 82 114.826 114.826 111.650 3.176 17995
7901 1 17 . 1 1 104 104 SER HA H 82 4.358 4.358 4.546 -0.188 17995
7902 1 17 . 1 1 104 104 SER C C 82 174.810 174.810 174.411 0.399 17995
7903 1 17 . 1 1 104 104 SER CA C 82 59.567 59.567 57.727 1.840 17995
7904 1 17 . 1 1 104 104 SER CB C 82 63.859 63.859 63.677 0.182 17995
7905 1 17 . 1 1 104 104 SER H H 82 7.738 7.738 7.691 0.047 17995
7906 1 18 . 1 1 24 24 GLN N N 2 121.730 121.730 122.590 -0.860 17995
7907 1 18 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.271 -0.309 17995
7908 1 18 . 1 1 24 24 GLN C C 2 177.291 177.291 177.442 -0.151 17995
7909 1 18 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.110 1.281 17995
7910 1 18 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.075 -0.365 17995
7911 1 18 . 1 1 24 24 GLN H H 2 8.511 8.511 9.109 -0.598 17995
7912 1 18 . 1 1 25 25 HIS N N 3 116.878 116.878 120.498 -3.620 17995
7913 1 18 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.595 0.508 17995
7914 1 18 . 1 1 25 25 HIS C C 3 175.501 175.501 177.436 -1.935 17995
7915 1 18 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.458 -2.111 17995
7916 1 18 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.966 0.661 17995
7917 1 18 . 1 1 25 25 HIS H H 3 8.216 8.216 8.633 -0.417 17995
7918 1 18 . 1 1 26 26 LEU N N 4 121.540 121.540 118.714 2.826 17995
7919 1 18 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.166 -0.473 17995
7920 1 18 . 1 1 26 26 LEU C C 4 177.649 177.649 178.164 -0.515 17995
7921 1 18 . 1 1 26 26 LEU CA C 4 59.703 59.703 57.780 1.923 17995
7922 1 18 . 1 1 26 26 LEU CB C 4 42.335 42.335 40.999 1.335 17995
7923 1 18 . 1 1 26 26 LEU H H 4 7.447 7.447 8.165 -0.718 17995
7924 1 18 . 1 1 27 27 GLU N N 5 118.441 118.441 120.707 -2.266 17995
7925 1 18 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.887 0.004 17995
7926 1 18 . 1 1 27 27 GLU C C 5 178.162 178.162 178.335 -0.173 17995
7927 1 18 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.595 0.027 17995
7928 1 18 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.545 -0.468 17995
7929 1 18 . 1 1 27 27 GLU H H 5 8.561 8.561 7.788 0.773 17995
7930 1 18 . 1 1 28 28 ALA N N 6 122.005 122.005 121.385 0.620 17995
7931 1 18 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.230 -0.098 17995
7932 1 18 . 1 1 28 28 ALA C C 6 180.421 180.421 180.113 0.308 17995
7933 1 18 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.595 0.684 17995
7934 1 18 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.340 0.426 17995
7935 1 18 . 1 1 28 28 ALA H H 6 8.205 8.205 7.779 0.426 17995
7936 1 18 . 1 1 29 29 VAL N N 7 116.985 116.985 120.244 -3.259 17995
7937 1 18 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.546 -0.037 17995
7938 1 18 . 1 1 29 29 VAL C C 7 177.034 177.034 177.499 -0.465 17995
7939 1 18 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.105 0.258 17995
7940 1 18 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.680 -0.241 17995
7941 1 18 . 1 1 29 29 VAL H H 7 8.392 8.392 8.082 0.310 17995
7942 1 18 . 1 1 30 30 ARG N N 8 121.674 121.674 118.666 3.008 17995
7943 1 18 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.021 -0.357 17995
7944 1 18 . 1 1 30 30 ARG C C 8 177.810 177.810 178.414 -0.604 17995
7945 1 18 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.239 1.286 17995
7946 1 18 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.478 1.188 17995
7947 1 18 . 1 1 30 30 ARG H H 8 8.784 8.784 8.290 0.494 17995
7948 1 18 . 1 1 31 31 ASN N N 9 118.102 118.102 118.705 -0.603 17995
7949 1 18 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.545 -0.261 17995
7950 1 18 . 1 1 31 31 ASN C C 9 177.890 177.890 177.767 0.123 17995
7951 1 18 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.033 0.221 17995
7952 1 18 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.239 -0.651 17995
7953 1 18 . 1 1 31 31 ASN H H 9 8.144 8.144 7.950 0.194 17995
7954 1 18 . 1 1 32 32 ILE N N 10 123.614 123.614 120.967 2.647 17995
7955 1 18 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.491 0.301 17995
7956 1 18 . 1 1 32 32 ILE C C 10 177.810 177.810 177.540 0.270 17995
7957 1 18 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.132 0.126 17995
7958 1 18 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.945 0.789 17995
7959 1 18 . 1 1 32 32 ILE H H 10 8.137 8.137 7.753 0.384 17995
7960 1 18 . 1 1 33 33 LEU N N 11 119.797 119.797 119.345 0.452 17995
7961 1 18 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.948 -0.162 17995
7962 1 18 . 1 1 33 33 LEU C C 11 179.039 179.039 179.459 -0.420 17995
7963 1 18 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.999 0.711 17995
7964 1 18 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.416 0.660 17995
7965 1 18 . 1 1 33 33 LEU H H 11 8.637 8.637 8.211 0.426 17995
7966 1 18 . 1 1 34 34 GLY N N 12 103.682 103.682 105.809 -2.127 17995
7967 1 18 . 1 1 34 34 GLY C C 12 175.242 175.242 175.407 -0.165 17995
7968 1 18 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.803 0.915 17995
7969 1 18 . 1 1 34 34 GLY H H 12 8.513 8.513 8.273 0.240 17995
7970 1 18 . 1 1 35 35 ASP N N 13 122.235 122.235 121.427 0.808 17995
7971 1 18 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.630 -0.045 17995
7972 1 18 . 1 1 35 35 ASP C C 13 179.013 179.013 177.870 1.143 17995
7973 1 18 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.304 0.612 17995
7974 1 18 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.278 -0.232 17995
7975 1 18 . 1 1 35 35 ASP H H 13 7.968 7.968 7.758 0.210 17995
7976 1 18 . 1 1 36 36 VAL N N 14 120.841 120.841 120.175 0.666 17995
7977 1 18 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.965 -0.288 17995
7978 1 18 . 1 1 36 36 VAL C C 14 177.797 177.797 177.476 0.321 17995
7979 1 18 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.065 0.939 17995
7980 1 18 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.386 -0.154 17995
7981 1 18 . 1 1 36 36 VAL H H 14 8.765 8.765 7.972 0.793 17995
7982 1 18 . 1 1 37 37 LEU N N 15 114.630 114.630 116.800 -2.170 17995
7983 1 18 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.314 -0.033 17995
7984 1 18 . 1 1 37 37 LEU C C 15 175.483 175.483 176.394 -0.911 17995
7985 1 18 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.714 -0.544 17995
7986 1 18 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.627 0.068 17995
7987 1 18 . 1 1 37 37 LEU H H 15 7.942 7.942 7.971 -0.029 17995
7988 1 18 . 1 1 38 38 ASN N N 16 116.887 116.887 115.798 1.089 17995
7989 1 18 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.406 0.128 17995
7990 1 18 . 1 1 38 38 ASN C C 16 175.668 175.668 175.163 0.505 17995
7991 1 18 . 1 1 38 38 ASN CA C 16 53.920 53.920 54.007 -0.087 17995
7992 1 18 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.351 -0.493 17995
7993 1 18 . 1 1 38 38 ASN H H 16 7.561 7.561 7.646 -0.085 17995
7994 1 18 . 1 1 39 39 LEU N N 17 114.676 114.676 118.857 -4.181 17995
7995 1 18 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.249 -0.179 17995
7996 1 18 . 1 1 39 39 LEU C C 17 178.415 178.415 177.954 0.461 17995
7997 1 18 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.884 -0.140 17995
7998 1 18 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.288 0.988 17995
7999 1 18 . 1 1 39 39 LEU H H 17 8.233 8.233 8.029 0.204 17995
8000 1 18 . 1 1 40 40 GLY N N 18 109.665 109.665 107.934 1.731 17995
8001 1 18 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.782 -0.478 17995
8002 1 18 . 1 1 40 40 GLY H H 18 8.678 8.678 7.953 0.725 17995
8003 1 18 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.257 -0.129 17995
8004 1 18 . 1 1 41 41 GLU C C 19 178.328 178.328 178.396 -0.068 17995
8005 1 18 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.885 1.379 17995
8006 1 18 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.946 -0.866 17995
8007 1 18 . 1 1 42 42 ARG N N 20 118.936 118.936 121.074 -2.138 17995
8008 1 18 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.177 -0.002 17995
8009 1 18 . 1 1 42 42 ARG C C 20 178.912 178.912 177.986 0.926 17995
8010 1 18 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.608 -0.371 17995
8011 1 18 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.198 -0.142 17995
8012 1 18 . 1 1 42 42 ARG H H 20 7.979 7.979 7.956 0.023 17995
8013 1 18 . 1 1 43 43 LYS N N 21 119.087 119.087 115.897 3.190 17995
8014 1 18 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.154 -0.406 17995
8015 1 18 . 1 1 43 43 LYS C C 21 176.559 176.559 178.401 -1.842 17995
8016 1 18 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.610 0.488 17995
8017 1 18 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.499 0.482 17995
8018 1 18 . 1 1 43 43 LYS H H 21 7.719 7.719 8.243 -0.524 17995
8019 1 18 . 1 1 44 44 HIS N N 22 115.571 115.571 119.050 -3.479 17995
8020 1 18 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.531 -0.103 17995
8021 1 18 . 1 1 44 44 HIS C C 22 176.288 176.288 175.582 0.706 17995
8022 1 18 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.599 -0.815 17995
8023 1 18 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.496 -0.026 17995
8024 1 18 . 1 1 44 44 HIS H H 22 7.124 7.124 7.944 -0.820 17995
8025 1 18 . 1 1 45 45 THR N N 23 107.890 107.890 113.266 -5.376 17995
8026 1 18 . 1 1 45 45 THR HA H 23 4.355 4.355 4.247 0.108 17995
8027 1 18 . 1 1 45 45 THR C C 23 174.650 174.650 174.634 0.016 17995
8028 1 18 . 1 1 45 45 THR CA C 23 61.627 61.627 61.441 0.185 17995
8029 1 18 . 1 1 45 45 THR CB C 23 69.475 69.475 68.582 0.893 17995
8030 1 18 . 1 1 45 45 THR H H 23 7.441 7.441 7.513 -0.072 17995
8031 1 18 . 1 1 46 46 LEU N N 24 121.435 121.435 120.069 1.366 17995
8032 1 18 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.919 -0.296 17995
8033 1 18 . 1 1 46 46 LEU C C 24 176.537 176.537 175.197 1.340 17995
8034 1 18 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.373 1.217 17995
8035 1 18 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.843 0.274 17995
8036 1 18 . 1 1 46 46 LEU H H 24 7.059 7.059 7.339 -0.280 17995
8037 1 18 . 1 1 47 47 THR N N 25 116.104 116.104 113.126 2.978 17995
8038 1 18 . 1 1 47 47 THR HA H 25 4.605 4.605 4.644 -0.039 17995
8039 1 18 . 1 1 47 47 THR C C 25 175.526 175.526 175.741 -0.215 17995
8040 1 18 . 1 1 47 47 THR CA C 25 59.878 59.878 60.188 -0.310 17995
8041 1 18 . 1 1 47 47 THR CB C 25 71.752 71.752 70.557 1.195 17995
8042 1 18 . 1 1 47 47 THR H H 25 9.432 9.432 8.017 1.415 17995
8043 1 18 . 1 1 48 48 ALA N N 26 122.234 122.234 121.070 1.164 17995
8044 1 18 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.226 -0.417 17995
8045 1 18 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.628 0.965 17995
8046 1 18 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.353 0.301 17995
8047 1 18 . 1 1 48 48 ALA H H 26 9.142 9.142 8.602 0.540 17995
8048 1 18 . 1 1 49 49 SER HA H 27 4.448 4.448 4.297 0.151 17995
8049 1 18 . 1 1 49 49 SER C C 27 174.637 174.637 174.928 -0.291 17995
8050 1 18 . 1 1 49 49 SER CA C 27 58.348 58.348 60.154 -1.806 17995
8051 1 18 . 1 1 49 49 SER CB C 27 63.704 63.704 63.203 0.501 17995
8052 1 18 . 1 1 50 50 SER N N 28 122.032 122.032 118.992 3.040 17995
8053 1 18 . 1 1 50 50 SER HA H 28 4.269 4.269 4.367 -0.098 17995
8054 1 18 . 1 1 50 50 SER C C 28 172.904 172.904 174.132 -1.228 17995
8055 1 18 . 1 1 50 50 SER CA C 28 60.846 60.846 58.623 2.224 17995
8056 1 18 . 1 1 50 50 SER CB C 28 63.063 63.063 63.533 -0.470 17995
8057 1 18 . 1 1 50 50 SER H H 28 8.157 8.157 7.449 0.708 17995
8058 1 18 . 1 1 51 51 VAL N N 29 127.079 127.079 127.385 -0.306 17995
8059 1 18 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.024 0.318 17995
8060 1 18 . 1 1 51 51 VAL C C 29 176.612 176.612 175.752 0.860 17995
8061 1 18 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.449 -1.001 17995
8062 1 18 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.476 -0.251 17995
8063 1 18 . 1 1 51 51 VAL H H 29 8.505 8.505 8.718 -0.213 17995
8064 1 18 . 1 1 52 52 LEU N N 30 126.014 126.014 126.036 -0.022 17995
8065 1 18 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.678 0.117 17995
8066 1 18 . 1 1 52 52 LEU C C 30 176.569 176.569 176.883 -0.314 17995
8067 1 18 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.448 -0.916 17995
8068 1 18 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.982 -1.978 17995
8069 1 18 . 1 1 52 52 LEU H H 30 7.954 7.954 8.603 -0.649 17995
8070 1 18 . 1 1 53 53 LEU N N 31 122.601 122.601 120.571 2.030 17995
8071 1 18 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.023 0.063 17995
8072 1 18 . 1 1 53 53 LEU C C 31 177.683 177.683 177.570 0.113 17995
8073 1 18 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.751 0.623 17995
8074 1 18 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.788 0.031 17995
8075 1 18 . 1 1 53 53 LEU H H 31 7.777 7.777 7.858 -0.081 17995
8076 1 18 . 1 1 54 54 GLY N N 32 114.941 114.941 114.014 0.927 17995
8077 1 18 . 1 1 54 54 GLY C C 32 173.612 173.612 174.500 -0.888 17995
8078 1 18 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.463 0.095 17995
8079 1 18 . 1 1 54 54 GLY H H 32 9.121 9.121 8.676 0.445 17995
8080 1 18 . 1 1 55 55 ASN N N 33 117.901 117.901 120.380 -2.479 17995
8081 1 18 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.789 0.141 17995
8082 1 18 . 1 1 55 55 ASN C C 33 174.458 174.458 175.665 -1.207 17995
8083 1 18 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.877 -0.058 17995
8084 1 18 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.609 1.938 17995
8085 1 18 . 1 1 55 55 ASN H H 33 7.789 7.789 7.776 0.013 17995
8086 1 18 . 1 1 56 56 ILE N N 34 120.163 120.163 123.156 -2.993 17995
8087 1 18 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.435 0.102 17995
8088 1 18 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.762 0.239 17995
8089 1 18 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.633 1.460 17995
8090 1 18 . 1 1 56 56 ILE H H 34 7.703 7.703 8.042 -0.339 17995
8091 1 18 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.463 -0.290 17995
8092 1 18 . 1 1 57 57 PRO C C 35 177.969 177.969 176.590 1.379 17995
8093 1 18 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.151 1.125 17995
8094 1 18 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.000 -0.066 17995
8095 1 18 . 1 1 58 58 GLU N N 36 116.701 116.701 116.865 -0.164 17995
8096 1 18 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.360 -0.388 17995
8097 1 18 . 1 1 58 58 GLU C C 36 176.612 176.612 175.848 0.764 17995
8098 1 18 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.725 3.622 17995
8099 1 18 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.516 0.316 17995
8100 1 18 . 1 1 58 58 GLU H H 36 9.581 9.581 8.584 0.997 17995
8101 1 18 . 1 1 59 59 LEU N N 37 121.189 121.189 123.585 -2.396 17995
8102 1 18 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.325 -0.013 17995
8103 1 18 . 1 1 59 59 LEU C C 37 173.353 173.353 175.376 -2.023 17995
8104 1 18 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.639 -1.361 17995
8105 1 18 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.540 -0.541 17995
8106 1 18 . 1 1 59 59 LEU H H 37 7.560 7.560 7.275 0.285 17995
8107 1 18 . 1 1 60 60 ASP N N 38 126.468 126.468 124.521 1.947 17995
8108 1 18 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.827 -0.112 17995
8109 1 18 . 1 1 60 60 ASP C C 38 175.828 175.828 176.714 -0.886 17995
8110 1 18 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.713 -0.793 17995
8111 1 18 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.128 -2.572 17995
8112 1 18 . 1 1 60 60 ASP H H 38 7.527 7.527 7.591 -0.064 17995
8113 1 18 . 1 1 61 61 SER N N 39 113.128 113.128 115.751 -2.623 17995
8114 1 18 . 1 1 61 61 SER HA H 39 4.019 4.019 4.137 -0.118 17995
8115 1 18 . 1 1 61 61 SER C C 39 175.854 175.854 176.791 -0.937 17995
8116 1 18 . 1 1 61 61 SER CA C 39 61.276 61.276 61.762 -0.486 17995
8117 1 18 . 1 1 61 61 SER CB C 39 65.520 65.520 62.927 2.593 17995
8118 1 18 . 1 1 61 61 SER H H 39 8.623 8.623 8.531 0.092 17995
8119 1 18 . 1 1 62 62 MET N N 40 121.706 121.706 119.903 1.803 17995
8120 1 18 . 1 1 62 62 MET HA H 40 4.303 4.303 4.251 0.052 17995
8121 1 18 . 1 1 62 62 MET C C 40 177.755 177.755 178.110 -0.355 17995
8122 1 18 . 1 1 62 62 MET CA C 40 57.714 57.714 57.723 -0.009 17995
8123 1 18 . 1 1 62 62 MET CB C 40 32.386 32.386 31.481 0.905 17995
8124 1 18 . 1 1 62 62 MET H H 40 7.802 7.802 8.575 -0.773 17995
8125 1 18 . 1 1 63 63 ALA N N 41 124.277 124.277 122.422 1.855 17995
8126 1 18 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.129 0.042 17995
8127 1 18 . 1 1 63 63 ALA C C 41 179.893 179.893 179.596 0.297 17995
8128 1 18 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.902 0.199 17995
8129 1 18 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.762 1.894 17995
8130 1 18 . 1 1 63 63 ALA H H 41 8.295 8.295 8.010 0.285 17995
8131 1 18 . 1 1 64 64 VAL N N 42 118.186 118.186 115.459 2.727 17995
8132 1 18 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.515 -0.522 17995
8133 1 18 . 1 1 64 64 VAL C C 42 177.327 177.327 177.390 -0.063 17995
8134 1 18 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.471 1.841 17995
8135 1 18 . 1 1 64 64 VAL CB C 42 31.192 31.192 30.327 0.865 17995
8136 1 18 . 1 1 64 64 VAL H H 42 8.019 8.019 8.075 -0.056 17995
8137 1 18 . 1 1 65 65 VAL N N 43 118.361 118.361 122.115 -3.754 17995
8138 1 18 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.456 0.108 17995
8139 1 18 . 1 1 65 65 VAL C C 43 178.520 178.520 178.118 0.402 17995
8140 1 18 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.537 0.020 17995
8141 1 18 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.970 0.530 17995
8142 1 18 . 1 1 65 65 VAL H H 43 6.942 6.942 7.357 -0.415 17995
8143 1 18 . 1 1 66 66 ASN N N 44 119.476 119.476 118.573 0.903 17995
8144 1 18 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.448 0.114 17995
8145 1 18 . 1 1 66 66 ASN C C 44 178.760 178.760 178.108 0.652 17995
8146 1 18 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.375 -0.539 17995
8147 1 18 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.270 -0.463 17995
8148 1 18 . 1 1 66 66 ASN H H 44 7.789 7.789 7.948 -0.159 17995
8149 1 18 . 1 1 67 67 VAL N N 45 124.029 124.029 117.016 7.013 17995
8150 1 18 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.858 -0.240 17995
8151 1 18 . 1 1 67 67 VAL C C 45 177.100 177.100 177.730 -0.630 17995
8152 1 18 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.986 1.380 17995
8153 1 18 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.599 -0.139 17995
8154 1 18 . 1 1 67 67 VAL H H 45 9.055 9.055 7.758 1.297 17995
8155 1 18 . 1 1 68 68 ILE N N 46 121.006 121.006 122.264 -1.258 17995
8156 1 18 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.721 0.067 17995
8157 1 18 . 1 1 68 68 ILE C C 46 177.871 177.871 178.063 -0.192 17995
8158 1 18 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.800 -0.538 17995
8159 1 18 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.619 -1.452 17995
8160 1 18 . 1 1 68 68 ILE H H 46 8.509 8.509 7.822 0.687 17995
8161 1 18 . 1 1 69 69 THR N N 47 116.096 116.096 116.267 -0.171 17995
8162 1 18 . 1 1 69 69 THR HA H 47 4.391 4.391 3.910 0.481 17995
8163 1 18 . 1 1 69 69 THR C C 47 176.365 176.365 176.352 0.013 17995
8164 1 18 . 1 1 69 69 THR CA C 47 66.256 66.256 67.126 -0.870 17995
8165 1 18 . 1 1 69 69 THR CB C 47 69.098 69.098 68.668 0.430 17995
8166 1 18 . 1 1 69 69 THR H H 47 8.512 8.512 7.899 0.613 17995
8167 1 18 . 1 1 70 70 ALA N N 48 123.948 123.948 124.475 -0.527 17995
8168 1 18 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.271 0.032 17995
8169 1 18 . 1 1 70 70 ALA C C 48 181.452 181.452 179.703 1.749 17995
8170 1 18 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.360 -0.177 17995
8171 1 18 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.236 1.185 17995
8172 1 18 . 1 1 70 70 ALA H H 48 7.802 7.802 7.893 -0.091 17995
8173 1 18 . 1 1 71 71 LEU N N 49 121.199 121.199 119.330 1.869 17995
8174 1 18 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.137 0.086 17995
8175 1 18 . 1 1 71 71 LEU C C 49 178.192 178.192 179.592 -1.400 17995
8176 1 18 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.290 0.271 17995
8177 1 18 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.832 1.619 17995
8178 1 18 . 1 1 71 71 LEU H H 49 8.802 8.802 8.260 0.542 17995
8179 1 18 . 1 1 72 72 GLU N N 50 119.782 119.782 118.684 1.098 17995
8180 1 18 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.399 -0.909 17995
8181 1 18 . 1 1 72 72 GLU C C 50 180.303 180.303 180.044 0.259 17995
8182 1 18 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.466 0.385 17995
8183 1 18 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.052 2.056 17995
8184 1 18 . 1 1 72 72 GLU H H 50 8.762 8.762 8.326 0.436 17995
8185 1 18 . 1 1 73 73 GLU N N 51 116.902 116.902 119.648 -2.746 17995
8186 1 18 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.192 -0.140 17995
8187 1 18 . 1 1 73 73 GLU C C 51 178.334 178.334 178.963 -0.629 17995
8188 1 18 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.804 -0.186 17995
8189 1 18 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.506 0.576 17995
8190 1 18 . 1 1 73 73 GLU H H 51 7.953 7.953 7.980 -0.027 17995
8191 1 18 . 1 1 74 74 TYR N N 52 119.999 119.999 117.237 2.762 17995
8192 1 18 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.335 -0.453 17995
8193 1 18 . 1 1 74 74 TYR C C 52 177.384 177.384 178.171 -0.787 17995
8194 1 18 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.045 0.555 17995
8195 1 18 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.776 0.869 17995
8196 1 18 . 1 1 74 74 TYR H H 52 8.078 8.078 8.155 -0.077 17995
8197 1 18 . 1 1 75 75 PHE N N 53 113.650 113.650 114.716 -1.066 17995
8198 1 18 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.385 -0.199 17995
8199 1 18 . 1 1 75 75 PHE C C 53 174.485 174.485 175.109 -0.624 17995
8200 1 18 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.660 0.584 17995
8201 1 18 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.566 1.474 17995
8202 1 18 . 1 1 75 75 PHE H H 53 8.244 8.244 8.140 0.104 17995
8203 1 18 . 1 1 76 76 ASP N N 54 119.712 119.712 117.455 2.257 17995
8204 1 18 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.533 -0.153 17995
8205 1 18 . 1 1 76 76 ASP C C 54 174.118 174.118 175.555 -1.437 17995
8206 1 18 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.653 -0.790 17995
8207 1 18 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.266 -0.110 17995
8208 1 18 . 1 1 76 76 ASP H H 54 7.596 7.596 8.058 -0.462 17995
8209 1 18 . 1 1 77 77 PHE N N 55 113.804 113.804 114.537 -0.733 17995
8210 1 18 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.982 0.093 17995
8211 1 18 . 1 1 77 77 PHE C C 55 174.384 174.384 173.834 0.550 17995
8212 1 18 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.284 -0.848 17995
8213 1 18 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.325 -0.695 17995
8214 1 18 . 1 1 77 77 PHE H H 55 7.725 7.725 8.090 -0.365 17995
8215 1 18 . 1 1 78 78 SER N N 56 114.319 114.319 116.172 -1.853 17995
8216 1 18 . 1 1 78 78 SER HA H 56 5.149 5.149 4.804 0.345 17995
8217 1 18 . 1 1 78 78 SER C C 56 174.100 174.100 173.369 0.731 17995
8218 1 18 . 1 1 78 78 SER CA C 56 56.800 56.800 56.239 0.561 17995
8219 1 18 . 1 1 78 78 SER CB C 56 65.011 65.011 63.637 1.374 17995
8220 1 18 . 1 1 78 78 SER H H 56 8.727 8.727 8.111 0.616 17995
8221 1 18 . 1 1 79 79 VAL N N 57 128.316 128.316 128.384 -0.068 17995
8222 1 18 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.639 0.605 17995
8223 1 18 . 1 1 79 79 VAL C C 57 175.637 175.637 175.592 0.045 17995
8224 1 18 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.013 -1.259 17995
8225 1 18 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.963 0.910 17995
8226 1 18 . 1 1 79 79 VAL H H 57 10.222 10.222 7.967 2.255 17995
8227 1 18 . 1 1 80 80 ASP N N 58 130.058 130.058 126.948 3.110 17995
8228 1 18 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.435 0.411 17995
8229 1 18 . 1 1 80 80 ASP C C 58 177.205 177.205 176.707 0.498 17995
8230 1 18 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.616 -1.140 17995
8231 1 18 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.232 -0.567 17995
8232 1 18 . 1 1 80 80 ASP H H 58 9.396 9.396 8.306 1.090 17995
8233 1 18 . 1 1 81 81 ASP N N 59 122.564 122.564 125.249 -2.685 17995
8234 1 18 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.341 -0.061 17995
8235 1 18 . 1 1 81 81 ASP C C 59 177.291 177.291 177.253 0.038 17995
8236 1 18 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.748 0.712 17995
8237 1 18 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.082 -0.352 17995
8238 1 18 . 1 1 81 81 ASP H H 59 8.696 8.696 8.746 -0.050 17995
8239 1 18 . 1 1 82 82 ASP N N 60 115.817 115.817 118.574 -2.757 17995
8240 1 18 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.508 0.051 17995
8241 1 18 . 1 1 82 82 ASP C C 60 176.939 176.939 177.020 -0.081 17995
8242 1 18 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.114 -1.253 17995
8243 1 18 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.131 -0.716 17995
8244 1 18 . 1 1 82 82 ASP H H 60 8.460 8.460 8.036 0.424 17995
8245 1 18 . 1 1 83 83 GLU N N 61 118.478 118.478 117.469 1.009 17995
8246 1 18 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.361 -0.060 17995
8247 1 18 . 1 1 83 83 GLU C C 61 175.841 175.841 176.324 -0.483 17995
8248 1 18 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.484 0.820 17995
8249 1 18 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.568 0.923 17995
8250 1 18 . 1 1 83 83 GLU H H 61 7.903 7.903 7.657 0.246 17995
8251 1 18 . 1 1 84 84 ILE N N 62 117.759 117.759 121.392 -3.633 17995
8252 1 18 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.861 0.304 17995
8253 1 18 . 1 1 84 84 ILE C C 62 174.069 174.069 174.959 -0.890 17995
8254 1 18 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.890 -2.396 17995
8255 1 18 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.318 1.817 17995
8256 1 18 . 1 1 84 84 ILE H H 62 7.396 7.396 7.230 0.166 17995
8257 1 18 . 1 1 85 85 SER N N 63 119.980 119.980 120.858 -0.878 17995
8258 1 18 . 1 1 85 85 SER HA H 63 4.789 4.789 4.666 0.123 17995
8259 1 18 . 1 1 85 85 SER CA C 63 56.772 56.772 57.300 -0.528 17995
8260 1 18 . 1 1 85 85 SER CB C 63 66.916 66.916 65.666 1.250 17995
8261 1 18 . 1 1 85 85 SER H H 63 8.384 8.384 8.147 0.237 17995
8262 1 18 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.267 -0.240 17995
8263 1 18 . 1 1 86 86 ALA C C 64 180.211 180.211 179.128 1.083 17995
8264 1 18 . 1 1 86 86 ALA CA C 64 55.501 55.501 55.032 0.469 17995
8265 1 18 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.741 -0.731 17995
8266 1 18 . 1 1 87 87 GLN N N 65 116.123 116.123 114.544 1.579 17995
8267 1 18 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.345 -0.280 17995
8268 1 18 . 1 1 87 87 GLN C C 65 178.564 178.564 177.541 1.023 17995
8269 1 18 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.677 1.062 17995
8270 1 18 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.636 0.807 17995
8271 1 18 . 1 1 87 87 GLN H H 65 7.990 7.990 8.562 -0.572 17995
8272 1 18 . 1 1 88 88 THR N N 66 119.153 119.153 116.096 3.057 17995
8273 1 18 . 1 1 88 88 THR HA H 66 3.631 3.631 4.165 -0.534 17995
8274 1 18 . 1 1 88 88 THR C C 66 174.748 174.748 174.735 0.013 17995
8275 1 18 . 1 1 88 88 THR CA C 66 66.591 66.591 66.363 0.228 17995
8276 1 18 . 1 1 88 88 THR CB C 66 68.702 68.702 68.764 -0.062 17995
8277 1 18 . 1 1 88 88 THR H H 66 7.738 7.738 7.596 0.142 17995
8278 1 18 . 1 1 89 89 PHE N N 67 115.088 115.088 117.360 -2.272 17995
8279 1 18 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.641 -0.404 17995
8280 1 18 . 1 1 89 89 PHE C C 67 173.600 173.600 176.967 -3.367 17995
8281 1 18 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.222 -0.700 17995
8282 1 18 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.849 0.857 17995
8283 1 18 . 1 1 89 89 PHE H H 67 7.180 7.180 7.592 -0.412 17995
8284 1 18 . 1 1 90 90 GLU N N 68 122.222 122.222 119.512 2.710 17995
8285 1 18 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995
8286 1 18 . 1 1 90 90 GLU C C 68 178.581 178.581 176.651 1.930 17995
8287 1 18 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.459 1.267 17995
8288 1 18 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.850 0.898 17995
8289 1 18 . 1 1 90 90 GLU H H 68 7.421 7.421 8.029 -0.608 17995
8290 1 18 . 1 1 91 91 THR N N 69 106.383 106.383 111.012 -4.629 17995
8291 1 18 . 1 1 91 91 THR HA H 69 5.477 5.477 4.717 0.760 17995
8292 1 18 . 1 1 91 91 THR C C 69 174.775 174.775 173.850 0.925 17995
8293 1 18 . 1 1 91 91 THR CA C 69 58.798 58.798 59.570 -0.772 17995
8294 1 18 . 1 1 91 91 THR CB C 69 74.841 74.841 71.300 3.541 17995
8295 1 18 . 1 1 91 91 THR H H 69 8.534 8.534 7.341 1.193 17995
8296 1 18 . 1 1 92 92 LEU N N 70 120.326 120.326 124.320 -3.994 17995
8297 1 18 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.133 0.010 17995
8298 1 18 . 1 1 92 92 LEU C C 70 178.174 178.174 177.958 0.216 17995
8299 1 18 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.477 0.789 17995
8300 1 18 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.229 -1.359 17995
8301 1 18 . 1 1 92 92 LEU H H 70 7.991 7.991 8.809 -0.818 17995
8302 1 18 . 1 1 93 93 GLY N N 71 106.588 106.588 105.328 1.260 17995
8303 1 18 . 1 1 93 93 GLY C C 71 175.300 175.300 176.002 -0.702 17995
8304 1 18 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.522 -0.184 17995
8305 1 18 . 1 1 93 93 GLY H H 71 9.019 9.019 8.245 0.774 17995
8306 1 18 . 1 1 94 94 SER N N 72 120.200 120.200 118.530 1.670 17995
8307 1 18 . 1 1 94 94 SER HA H 72 4.090 4.090 4.216 -0.126 17995
8308 1 18 . 1 1 94 94 SER C C 72 177.631 177.631 176.770 0.861 17995
8309 1 18 . 1 1 94 94 SER CA C 72 62.329 62.329 61.743 0.586 17995
8310 1 18 . 1 1 94 94 SER H H 72 8.709 8.709 7.424 1.285 17995
8311 1 18 . 1 1 95 95 LEU N N 73 129.169 129.169 121.437 7.732 17995
8312 1 18 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.991 0.249 17995
8313 1 18 . 1 1 95 95 LEU C C 73 176.439 176.439 179.020 -2.581 17995
8314 1 18 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.370 0.432 17995
8315 1 18 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.333 1.526 17995
8316 1 18 . 1 1 95 95 LEU H H 73 7.800 7.800 7.471 0.329 17995
8317 1 18 . 1 1 96 96 ALA N N 74 121.721 121.721 121.886 -0.165 17995
8318 1 18 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.028 -0.039 17995
8319 1 18 . 1 1 96 96 ALA C C 74 180.456 180.456 180.005 0.451 17995
8320 1 18 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.179 0.523 17995
8321 1 18 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.427 -0.711 17995
8322 1 18 . 1 1 96 96 ALA H H 74 8.612 8.612 8.041 0.571 17995
8323 1 18 . 1 1 97 97 LEU N N 75 122.095 122.095 119.561 2.534 17995
8324 1 18 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.038 0.019 17995
8325 1 18 . 1 1 97 97 LEU C C 75 178.805 178.805 179.225 -0.420 17995
8326 1 18 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.770 -0.001 17995
8327 1 18 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.548 1.274 17995
8328 1 18 . 1 1 97 97 LEU H H 75 8.777 8.777 8.026 0.751 17995
8329 1 18 . 1 1 98 98 PHE N N 76 122.741 122.741 117.937 4.804 17995
8330 1 18 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.940 0.322 17995
8331 1 18 . 1 1 98 98 PHE C C 76 176.878 176.878 178.392 -1.514 17995
8332 1 18 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.707 -1.475 17995
8333 1 18 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.407 0.142 17995
8334 1 18 . 1 1 98 98 PHE H H 76 7.889 7.889 8.037 -0.148 17995
8335 1 18 . 1 1 99 99 VAL N N 77 119.641 119.641 114.378 5.263 17995
8336 1 18 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.688 -0.910 17995
8337 1 18 . 1 1 99 99 VAL C C 77 176.414 176.414 177.509 -1.095 17995
8338 1 18 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.119 0.849 17995
8339 1 18 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.137 0.049 17995
8340 1 18 . 1 1 99 99 VAL H H 77 7.599 7.599 8.125 -0.526 17995
8341 1 18 . 1 1 100 100 GLU N N 78 118.850 118.850 121.910 -3.060 17995
8342 1 18 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.284 -0.511 17995
8343 1 18 . 1 1 100 100 GLU C C 78 179.007 179.007 179.091 -0.084 17995
8344 1 18 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.542 -0.002 17995
8345 1 18 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.014 0.764 17995
8346 1 18 . 1 1 100 100 GLU H H 78 7.740 7.740 8.131 -0.391 17995
8347 1 18 . 1 1 101 101 HIS N N 79 120.328 120.328 117.743 2.585 17995
8348 1 18 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.364 -0.163 17995
8349 1 18 . 1 1 101 101 HIS C C 79 178.242 178.242 177.961 0.281 17995
8350 1 18 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.563 0.675 17995
8351 1 18 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.128 -0.190 17995
8352 1 18 . 1 1 101 101 HIS H H 79 8.354 8.354 8.066 0.288 17995
8353 1 18 . 1 1 102 102 LYS N N 80 121.044 121.044 119.163 1.881 17995
8354 1 18 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.237 -0.670 17995
8355 1 18 . 1 1 102 102 LYS C C 80 179.199 179.199 179.113 0.086 17995
8356 1 18 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.559 -1.572 17995
8357 1 18 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.289 -2.113 17995
8358 1 18 . 1 1 102 102 LYS H H 80 7.908 7.908 7.992 -0.084 17995
8359 1 18 . 1 1 103 103 LEU N N 81 118.698 118.698 118.775 -0.077 17995
8360 1 18 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.359 -0.201 17995
8361 1 18 . 1 1 103 103 LEU C C 81 178.593 178.593 178.399 0.194 17995
8362 1 18 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.990 0.406 17995
8363 1 18 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.743 1.566 17995
8364 1 18 . 1 1 103 103 LEU H H 81 7.784 7.784 7.982 -0.198 17995
8365 1 18 . 1 1 104 104 SER N N 82 114.826 114.826 112.767 2.059 17995
8366 1 18 . 1 1 104 104 SER HA H 82 4.358 4.358 4.596 -0.238 17995
8367 1 18 . 1 1 104 104 SER C C 82 174.810 174.810 173.918 0.892 17995
8368 1 18 . 1 1 104 104 SER CA C 82 59.567 59.567 59.757 -0.190 17995
8369 1 18 . 1 1 104 104 SER CB C 82 63.859 63.859 64.488 -0.629 17995
8370 1 18 . 1 1 104 104 SER H H 82 7.738 7.738 7.929 -0.191 17995
8371 1 19 . 1 1 24 24 GLN N N 2 121.730 121.730 123.532 -1.802 17995
8372 1 19 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.426 -0.464 17995
8373 1 19 . 1 1 24 24 GLN C C 2 177.291 177.291 177.368 -0.077 17995
8374 1 19 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.219 1.172 17995
8375 1 19 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.301 -0.591 17995
8376 1 19 . 1 1 24 24 GLN H H 2 8.511 8.511 9.104 -0.593 17995
8377 1 19 . 1 1 25 25 HIS N N 3 116.878 116.878 120.961 -4.083 17995
8378 1 19 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.657 0.446 17995
8379 1 19 . 1 1 25 25 HIS C C 3 175.501 175.501 177.362 -1.861 17995
8380 1 19 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.935 -1.588 17995
8381 1 19 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.680 0.947 17995
8382 1 19 . 1 1 25 25 HIS H H 3 8.216 8.216 8.363 -0.147 17995
8383 1 19 . 1 1 26 26 LEU N N 4 121.540 121.540 119.286 2.254 17995
8384 1 19 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995
8385 1 19 . 1 1 26 26 LEU C C 4 177.649 177.649 178.247 -0.598 17995
8386 1 19 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.128 1.575 17995
8387 1 19 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.171 1.164 17995
8388 1 19 . 1 1 26 26 LEU H H 4 7.447 7.447 8.135 -0.688 17995
8389 1 19 . 1 1 27 27 GLU N N 5 118.441 118.441 120.368 -1.927 17995
8390 1 19 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.907 -0.016 17995
8391 1 19 . 1 1 27 27 GLU C C 5 178.162 178.162 178.212 -0.050 17995
8392 1 19 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.186 0.436 17995
8393 1 19 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.448 -0.371 17995
8394 1 19 . 1 1 27 27 GLU H H 5 8.561 8.561 7.668 0.893 17995
8395 1 19 . 1 1 28 28 ALA N N 6 122.005 122.005 122.478 -0.473 17995
8396 1 19 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.109 0.023 17995
8397 1 19 . 1 1 28 28 ALA C C 6 180.421 180.421 179.861 0.560 17995
8398 1 19 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.857 0.422 17995
8399 1 19 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.127 0.639 17995
8400 1 19 . 1 1 28 28 ALA H H 6 8.205 8.205 8.191 0.014 17995
8401 1 19 . 1 1 29 29 VAL N N 7 116.985 116.985 119.314 -2.329 17995
8402 1 19 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.745 -0.236 17995
8403 1 19 . 1 1 29 29 VAL C C 7 177.034 177.034 177.757 -0.723 17995
8404 1 19 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.682 -0.319 17995
8405 1 19 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.657 -0.218 17995
8406 1 19 . 1 1 29 29 VAL H H 7 8.392 8.392 8.095 0.297 17995
8407 1 19 . 1 1 30 30 ARG N N 8 121.674 121.674 119.348 2.326 17995
8408 1 19 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.999 -0.335 17995
8409 1 19 . 1 1 30 30 ARG C C 8 177.810 177.810 178.322 -0.512 17995
8410 1 19 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.265 1.260 17995
8411 1 19 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.355 1.311 17995
8412 1 19 . 1 1 30 30 ARG H H 8 8.784 8.784 8.283 0.501 17995
8413 1 19 . 1 1 31 31 ASN N N 9 118.102 118.102 118.958 -0.856 17995
8414 1 19 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.496 -0.212 17995
8415 1 19 . 1 1 31 31 ASN C C 9 177.890 177.890 177.246 0.644 17995
8416 1 19 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.023 0.231 17995
8417 1 19 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.143 -0.555 17995
8418 1 19 . 1 1 31 31 ASN H H 9 8.144 8.144 7.855 0.289 17995
8419 1 19 . 1 1 32 32 ILE N N 10 123.614 123.614 120.082 3.532 17995
8420 1 19 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.449 0.343 17995
8421 1 19 . 1 1 32 32 ILE C C 10 177.810 177.810 177.863 -0.053 17995
8422 1 19 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.099 0.159 17995
8423 1 19 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.876 0.858 17995
8424 1 19 . 1 1 32 32 ILE H H 10 8.137 8.137 7.684 0.453 17995
8425 1 19 . 1 1 33 33 LEU N N 11 119.797 119.797 119.875 -0.078 17995
8426 1 19 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.050 -0.264 17995
8427 1 19 . 1 1 33 33 LEU C C 11 179.039 179.039 179.436 -0.397 17995
8428 1 19 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.914 0.796 17995
8429 1 19 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.485 0.591 17995
8430 1 19 . 1 1 33 33 LEU H H 11 8.637 8.637 8.299 0.338 17995
8431 1 19 . 1 1 34 34 GLY N N 12 103.682 103.682 105.912 -2.230 17995
8432 1 19 . 1 1 34 34 GLY C C 12 175.242 175.242 175.214 0.028 17995
8433 1 19 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.884 0.834 17995
8434 1 19 . 1 1 34 34 GLY H H 12 8.513 8.513 8.355 0.158 17995
8435 1 19 . 1 1 35 35 ASP N N 13 122.235 122.235 121.512 0.723 17995
8436 1 19 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.514 0.071 17995
8437 1 19 . 1 1 35 35 ASP C C 13 179.013 179.013 178.421 0.592 17995
8438 1 19 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.823 0.093 17995
8439 1 19 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.285 -0.239 17995
8440 1 19 . 1 1 35 35 ASP H H 13 7.968 7.968 7.719 0.249 17995
8441 1 19 . 1 1 36 36 VAL N N 14 120.841 120.841 120.186 0.655 17995
8442 1 19 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.830 -0.153 17995
8443 1 19 . 1 1 36 36 VAL C C 14 177.797 177.797 177.758 0.039 17995
8444 1 19 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.655 0.349 17995
8445 1 19 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.324 -0.092 17995
8446 1 19 . 1 1 36 36 VAL H H 14 8.765 8.765 8.079 0.686 17995
8447 1 19 . 1 1 37 37 LEU N N 15 114.630 114.630 115.667 -1.037 17995
8448 1 19 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995
8449 1 19 . 1 1 37 37 LEU C C 15 175.483 175.483 176.651 -1.168 17995
8450 1 19 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.139 0.030 17995
8451 1 19 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.653 0.041 17995
8452 1 19 . 1 1 37 37 LEU H H 15 7.942 7.942 7.928 0.014 17995
8453 1 19 . 1 1 38 38 ASN N N 16 116.887 116.887 116.420 0.467 17995
8454 1 19 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.522 0.012 17995
8455 1 19 . 1 1 38 38 ASN C C 16 175.668 175.668 175.348 0.320 17995
8456 1 19 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.835 0.085 17995
8457 1 19 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.148 -0.290 17995
8458 1 19 . 1 1 38 38 ASN H H 16 7.561 7.561 8.083 -0.522 17995
8459 1 19 . 1 1 39 39 LEU N N 17 114.676 114.676 119.172 -4.496 17995
8460 1 19 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.220 -0.150 17995
8461 1 19 . 1 1 39 39 LEU C C 17 178.415 178.415 178.086 0.329 17995
8462 1 19 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.629 0.115 17995
8463 1 19 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.340 0.936 17995
8464 1 19 . 1 1 39 39 LEU H H 17 8.233 8.233 7.897 0.336 17995
8465 1 19 . 1 1 40 40 GLY N N 18 109.665 109.665 107.707 1.958 17995
8466 1 19 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.975 -0.670 17995
8467 1 19 . 1 1 40 40 GLY H H 18 8.678 8.678 8.077 0.601 17995
8468 1 19 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.257 -0.129 17995
8469 1 19 . 1 1 41 41 GLU C C 19 178.328 178.328 178.196 0.132 17995
8470 1 19 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.946 1.318 17995
8471 1 19 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.841 -0.761 17995
8472 1 19 . 1 1 42 42 ARG N N 20 118.936 118.936 121.423 -2.487 17995
8473 1 19 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.098 0.077 17995
8474 1 19 . 1 1 42 42 ARG C C 20 178.912 178.912 177.932 0.980 17995
8475 1 19 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.677 -0.440 17995
8476 1 19 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.165 -0.109 17995
8477 1 19 . 1 1 42 42 ARG H H 20 7.979 7.979 7.997 -0.018 17995
8478 1 19 . 1 1 43 43 LYS N N 21 119.087 119.087 117.552 1.535 17995
8479 1 19 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.103 -0.355 17995
8480 1 19 . 1 1 43 43 LYS C C 21 176.559 176.559 178.501 -1.942 17995
8481 1 19 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.861 0.236 17995
8482 1 19 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.581 0.400 17995
8483 1 19 . 1 1 43 43 LYS H H 21 7.719 7.719 8.221 -0.502 17995
8484 1 19 . 1 1 44 44 HIS N N 22 115.571 115.571 117.790 -2.219 17995
8485 1 19 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.514 -0.086 17995
8486 1 19 . 1 1 44 44 HIS C C 22 176.288 176.288 176.349 -0.061 17995
8487 1 19 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.560 -0.776 17995
8488 1 19 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.629 -0.159 17995
8489 1 19 . 1 1 44 44 HIS H H 22 7.124 7.124 7.946 -0.822 17995
8490 1 19 . 1 1 45 45 THR N N 23 107.890 107.890 113.799 -5.909 17995
8491 1 19 . 1 1 45 45 THR HA H 23 4.355 4.355 4.338 0.017 17995
8492 1 19 . 1 1 45 45 THR C C 23 174.650 174.650 174.184 0.466 17995
8493 1 19 . 1 1 45 45 THR CA C 23 61.627 61.627 61.827 -0.200 17995
8494 1 19 . 1 1 45 45 THR CB C 23 69.475 69.475 68.792 0.683 17995
8495 1 19 . 1 1 45 45 THR H H 23 7.441 7.441 7.632 -0.191 17995
8496 1 19 . 1 1 46 46 LEU N N 24 121.435 121.435 119.918 1.517 17995
8497 1 19 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.829 -0.206 17995
8498 1 19 . 1 1 46 46 LEU C C 24 176.537 176.537 175.465 1.072 17995
8499 1 19 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.175 1.415 17995
8500 1 19 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.901 -0.784 17995
8501 1 19 . 1 1 46 46 LEU H H 24 7.059 7.059 7.211 -0.152 17995
8502 1 19 . 1 1 47 47 THR N N 25 116.104 116.104 114.275 1.829 17995
8503 1 19 . 1 1 47 47 THR HA H 25 4.605 4.605 4.538 0.067 17995
8504 1 19 . 1 1 47 47 THR C C 25 175.526 175.526 175.623 -0.097 17995
8505 1 19 . 1 1 47 47 THR CA C 25 59.878 59.878 60.079 -0.201 17995
8506 1 19 . 1 1 47 47 THR CB C 25 71.752 71.752 71.050 0.702 17995
8507 1 19 . 1 1 47 47 THR H H 25 9.432 9.432 8.003 1.429 17995
8508 1 19 . 1 1 48 48 ALA N N 26 122.234 122.234 121.341 0.893 17995
8509 1 19 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.190 -0.381 17995
8510 1 19 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.739 0.854 17995
8511 1 19 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.603 0.051 17995
8512 1 19 . 1 1 48 48 ALA H H 26 9.142 9.142 8.615 0.527 17995
8513 1 19 . 1 1 49 49 SER HA H 27 4.448 4.448 4.313 0.135 17995
8514 1 19 . 1 1 49 49 SER C C 27 174.637 174.637 175.092 -0.455 17995
8515 1 19 . 1 1 49 49 SER CA C 27 58.348 58.348 59.583 -1.235 17995
8516 1 19 . 1 1 49 49 SER CB C 27 63.704 63.704 63.255 0.449 17995
8517 1 19 . 1 1 50 50 SER N N 28 122.032 122.032 117.517 4.515 17995
8518 1 19 . 1 1 50 50 SER HA H 28 4.269 4.269 4.421 -0.152 17995
8519 1 19 . 1 1 50 50 SER C C 28 172.904 172.904 174.076 -1.172 17995
8520 1 19 . 1 1 50 50 SER CA C 28 60.846 60.846 57.849 2.997 17995
8521 1 19 . 1 1 50 50 SER CB C 28 63.063 63.063 63.905 -0.842 17995
8522 1 19 . 1 1 50 50 SER H H 28 8.157 8.157 7.483 0.674 17995
8523 1 19 . 1 1 51 51 VAL N N 29 127.079 127.079 125.223 1.856 17995
8524 1 19 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.104 0.238 17995
8525 1 19 . 1 1 51 51 VAL C C 29 176.612 176.612 175.325 1.287 17995
8526 1 19 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.566 -1.118 17995
8527 1 19 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.458 -0.233 17995
8528 1 19 . 1 1 51 51 VAL H H 29 8.505 8.505 8.400 0.105 17995
8529 1 19 . 1 1 52 52 LEU N N 30 126.014 126.014 121.286 4.728 17995
8530 1 19 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.609 0.186 17995
8531 1 19 . 1 1 52 52 LEU C C 30 176.569 176.569 177.297 -0.728 17995
8532 1 19 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.171 -0.639 17995
8533 1 19 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.432 -2.428 17995
8534 1 19 . 1 1 52 52 LEU H H 30 7.954 7.954 8.180 -0.226 17995
8535 1 19 . 1 1 53 53 LEU N N 31 122.601 122.601 119.580 3.021 17995
8536 1 19 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.012 0.074 17995
8537 1 19 . 1 1 53 53 LEU C C 31 177.683 177.683 177.707 -0.024 17995
8538 1 19 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.612 0.762 17995
8539 1 19 . 1 1 53 53 LEU CB C 31 41.819 41.819 40.911 0.908 17995
8540 1 19 . 1 1 53 53 LEU H H 31 7.777 7.777 7.579 0.198 17995
8541 1 19 . 1 1 54 54 GLY N N 32 114.941 114.941 113.615 1.326 17995
8542 1 19 . 1 1 54 54 GLY C C 32 173.612 173.612 174.749 -1.137 17995
8543 1 19 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.318 0.240 17995
8544 1 19 . 1 1 54 54 GLY H H 32 9.121 9.121 8.602 0.519 17995
8545 1 19 . 1 1 55 55 ASN N N 33 117.901 117.901 121.137 -3.236 17995
8546 1 19 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.749 0.181 17995
8547 1 19 . 1 1 55 55 ASN C C 33 174.458 174.458 175.753 -1.295 17995
8548 1 19 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.327 -0.508 17995
8549 1 19 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.438 2.109 17995
8550 1 19 . 1 1 55 55 ASN H H 33 7.789 7.789 7.834 -0.045 17995
8551 1 19 . 1 1 56 56 ILE N N 34 120.163 120.163 122.724 -2.561 17995
8552 1 19 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.456 0.081 17995
8553 1 19 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.673 0.327 17995
8554 1 19 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.293 1.800 17995
8555 1 19 . 1 1 56 56 ILE H H 34 7.703 7.703 7.993 -0.290 17995
8556 1 19 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.455 -0.282 17995
8557 1 19 . 1 1 57 57 PRO C C 35 177.969 177.969 176.666 1.303 17995
8558 1 19 . 1 1 57 57 PRO CA C 35 65.276 65.276 63.975 1.301 17995
8559 1 19 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.065 -0.131 17995
8560 1 19 . 1 1 58 58 GLU N N 36 116.701 116.701 116.674 0.027 17995
8561 1 19 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995
8562 1 19 . 1 1 58 58 GLU C C 36 176.612 176.612 176.182 0.430 17995
8563 1 19 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.616 3.731 17995
8564 1 19 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.409 0.423 17995
8565 1 19 . 1 1 58 58 GLU H H 36 9.581 9.581 8.346 1.235 17995
8566 1 19 . 1 1 59 59 LEU N N 37 121.189 121.189 123.890 -2.701 17995
8567 1 19 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.312 -0.000 17995
8568 1 19 . 1 1 59 59 LEU C C 37 173.353 173.353 175.769 -2.416 17995
8569 1 19 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.274 -0.996 17995
8570 1 19 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.236 -0.236 17995
8571 1 19 . 1 1 59 59 LEU H H 37 7.560 7.560 7.188 0.372 17995
8572 1 19 . 1 1 60 60 ASP N N 38 126.468 126.468 124.980 1.488 17995
8573 1 19 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.664 0.051 17995
8574 1 19 . 1 1 60 60 ASP C C 38 175.828 175.828 176.838 -1.010 17995
8575 1 19 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.707 -1.787 17995
8576 1 19 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.579 -2.023 17995
8577 1 19 . 1 1 60 60 ASP H H 38 7.527 7.527 7.782 -0.255 17995
8578 1 19 . 1 1 61 61 SER N N 39 113.128 113.128 117.596 -4.468 17995
8579 1 19 . 1 1 61 61 SER HA H 39 4.019 4.019 4.163 -0.144 17995
8580 1 19 . 1 1 61 61 SER C C 39 175.854 175.854 176.558 -0.704 17995
8581 1 19 . 1 1 61 61 SER CA C 39 61.276 61.276 61.437 -0.161 17995
8582 1 19 . 1 1 61 61 SER CB C 39 65.520 65.520 62.979 2.541 17995
8583 1 19 . 1 1 61 61 SER H H 39 8.623 8.623 8.438 0.185 17995
8584 1 19 . 1 1 62 62 MET N N 40 121.706 121.706 118.376 3.330 17995
8585 1 19 . 1 1 62 62 MET HA H 40 4.303 4.303 4.363 -0.060 17995
8586 1 19 . 1 1 62 62 MET C C 40 177.755 177.755 178.214 -0.459 17995
8587 1 19 . 1 1 62 62 MET CA C 40 57.714 57.714 55.949 1.765 17995
8588 1 19 . 1 1 62 62 MET CB C 40 32.386 32.386 31.363 1.023 17995
8589 1 19 . 1 1 62 62 MET H H 40 7.802 7.802 8.215 -0.413 17995
8590 1 19 . 1 1 63 63 ALA N N 41 124.277 124.277 122.240 2.037 17995
8591 1 19 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.185 -0.014 17995
8592 1 19 . 1 1 63 63 ALA C C 41 179.893 179.893 179.378 0.515 17995
8593 1 19 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.617 0.484 17995
8594 1 19 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.071 1.585 17995
8595 1 19 . 1 1 63 63 ALA H H 41 8.295 8.295 7.790 0.505 17995
8596 1 19 . 1 1 64 64 VAL N N 42 118.186 118.186 116.048 2.138 17995
8597 1 19 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.449 -0.456 17995
8598 1 19 . 1 1 64 64 VAL C C 42 177.327 177.327 177.325 0.002 17995
8599 1 19 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.747 1.565 17995
8600 1 19 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.345 -0.152 17995
8601 1 19 . 1 1 64 64 VAL H H 42 8.019 8.019 7.664 0.355 17995
8602 1 19 . 1 1 65 65 VAL N N 43 118.361 118.361 121.119 -2.758 17995
8603 1 19 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.446 0.118 17995
8604 1 19 . 1 1 65 65 VAL C C 43 178.520 178.520 177.875 0.645 17995
8605 1 19 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.455 0.102 17995
8606 1 19 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.131 0.369 17995
8607 1 19 . 1 1 65 65 VAL H H 43 6.942 6.942 7.416 -0.474 17995
8608 1 19 . 1 1 66 66 ASN N N 44 119.476 119.476 117.593 1.883 17995
8609 1 19 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.520 0.042 17995
8610 1 19 . 1 1 66 66 ASN C C 44 178.760 178.760 177.830 0.930 17995
8611 1 19 . 1 1 66 66 ASN CA C 44 55.836 55.836 55.901 -0.065 17995
8612 1 19 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.531 -0.723 17995
8613 1 19 . 1 1 66 66 ASN H H 44 7.789 7.789 7.832 -0.043 17995
8614 1 19 . 1 1 67 67 VAL N N 45 124.029 124.029 116.610 7.419 17995
8615 1 19 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.862 -0.244 17995
8616 1 19 . 1 1 67 67 VAL C C 45 177.100 177.100 177.749 -0.649 17995
8617 1 19 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.916 1.450 17995
8618 1 19 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.737 -0.277 17995
8619 1 19 . 1 1 67 67 VAL H H 45 9.055 9.055 7.638 1.417 17995
8620 1 19 . 1 1 68 68 ILE N N 46 121.006 121.006 121.910 -0.904 17995
8621 1 19 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.761 0.027 17995
8622 1 19 . 1 1 68 68 ILE C C 46 177.871 177.871 178.173 -0.302 17995
8623 1 19 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.715 -0.453 17995
8624 1 19 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.564 -1.397 17995
8625 1 19 . 1 1 68 68 ILE H H 46 8.509 8.509 7.699 0.810 17995
8626 1 19 . 1 1 69 69 THR N N 47 116.096 116.096 116.095 0.001 17995
8627 1 19 . 1 1 69 69 THR HA H 47 4.391 4.391 3.887 0.504 17995
8628 1 19 . 1 1 69 69 THR C C 47 176.365 176.365 176.226 0.139 17995
8629 1 19 . 1 1 69 69 THR CA C 47 66.256 66.256 66.979 -0.723 17995
8630 1 19 . 1 1 69 69 THR CB C 47 69.098 69.098 68.608 0.490 17995
8631 1 19 . 1 1 69 69 THR H H 47 8.512 8.512 7.887 0.625 17995
8632 1 19 . 1 1 70 70 ALA N N 48 123.948 123.948 124.630 -0.682 17995
8633 1 19 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.182 0.121 17995
8634 1 19 . 1 1 70 70 ALA C C 48 181.452 181.452 179.682 1.770 17995
8635 1 19 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.340 -0.157 17995
8636 1 19 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995
8637 1 19 . 1 1 70 70 ALA H H 48 7.802 7.802 7.853 -0.051 17995
8638 1 19 . 1 1 71 71 LEU N N 49 121.199 121.199 119.542 1.657 17995
8639 1 19 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.331 -0.108 17995
8640 1 19 . 1 1 71 71 LEU C C 49 178.192 178.192 179.778 -1.586 17995
8641 1 19 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.226 0.335 17995
8642 1 19 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.962 1.489 17995
8643 1 19 . 1 1 71 71 LEU H H 49 8.802 8.802 8.414 0.388 17995
8644 1 19 . 1 1 72 72 GLU N N 50 119.782 119.782 118.778 1.004 17995
8645 1 19 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.154 -0.664 17995
8646 1 19 . 1 1 72 72 GLU C C 50 180.303 180.303 179.901 0.402 17995
8647 1 19 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.047 0.804 17995
8648 1 19 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.912 2.196 17995
8649 1 19 . 1 1 72 72 GLU H H 50 8.762 8.762 8.019 0.743 17995
8650 1 19 . 1 1 73 73 GLU N N 51 116.902 116.902 119.647 -2.745 17995
8651 1 19 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.033 0.019 17995
8652 1 19 . 1 1 73 73 GLU C C 51 178.334 178.334 179.152 -0.818 17995
8653 1 19 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.747 -0.129 17995
8654 1 19 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.261 0.821 17995
8655 1 19 . 1 1 73 73 GLU H H 51 7.953 7.953 7.776 0.177 17995
8656 1 19 . 1 1 74 74 TYR N N 52 119.999 119.999 117.636 2.363 17995
8657 1 19 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.263 -0.382 17995
8658 1 19 . 1 1 74 74 TYR C C 52 177.384 177.384 178.156 -0.772 17995
8659 1 19 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.887 0.713 17995
8660 1 19 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.646 0.999 17995
8661 1 19 . 1 1 74 74 TYR H H 52 8.078 8.078 7.977 0.101 17995
8662 1 19 . 1 1 75 75 PHE N N 53 113.650 113.650 115.157 -1.507 17995
8663 1 19 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.423 -0.237 17995
8664 1 19 . 1 1 75 75 PHE C C 53 174.485 174.485 175.355 -0.870 17995
8665 1 19 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.137 0.107 17995
8666 1 19 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.250 0.790 17995
8667 1 19 . 1 1 75 75 PHE H H 53 8.244 8.244 8.022 0.222 17995
8668 1 19 . 1 1 76 76 ASP N N 54 119.712 119.712 118.422 1.290 17995
8669 1 19 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.479 -0.098 17995
8670 1 19 . 1 1 76 76 ASP C C 54 174.118 174.118 175.357 -1.239 17995
8671 1 19 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.355 -0.492 17995
8672 1 19 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.846 -0.690 17995
8673 1 19 . 1 1 76 76 ASP H H 54 7.596 7.596 7.896 -0.300 17995
8674 1 19 . 1 1 77 77 PHE N N 55 113.804 113.804 114.584 -0.780 17995
8675 1 19 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.969 0.106 17995
8676 1 19 . 1 1 77 77 PHE C C 55 174.384 174.384 173.555 0.829 17995
8677 1 19 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.593 -1.157 17995
8678 1 19 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.308 -0.678 17995
8679 1 19 . 1 1 77 77 PHE H H 55 7.725 7.725 8.071 -0.346 17995
8680 1 19 . 1 1 78 78 SER N N 56 114.319 114.319 115.061 -0.742 17995
8681 1 19 . 1 1 78 78 SER HA H 56 5.149 5.149 4.718 0.431 17995
8682 1 19 . 1 1 78 78 SER C C 56 174.100 174.100 173.529 0.571 17995
8683 1 19 . 1 1 78 78 SER CA C 56 56.800 56.800 55.556 1.244 17995
8684 1 19 . 1 1 78 78 SER CB C 56 65.011 65.011 64.308 0.703 17995
8685 1 19 . 1 1 78 78 SER H H 56 8.727 8.727 8.104 0.623 17995
8686 1 19 . 1 1 79 79 VAL N N 57 128.316 128.316 127.776 0.540 17995
8687 1 19 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.824 0.420 17995
8688 1 19 . 1 1 79 79 VAL C C 57 175.637 175.637 175.430 0.207 17995
8689 1 19 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.402 -0.648 17995
8690 1 19 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.343 0.530 17995
8691 1 19 . 1 1 79 79 VAL H H 57 10.222 10.222 8.134 2.088 17995
8692 1 19 . 1 1 80 80 ASP N N 58 130.058 130.058 126.614 3.444 17995
8693 1 19 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.529 0.317 17995
8694 1 19 . 1 1 80 80 ASP C C 58 177.205 177.205 177.104 0.101 17995
8695 1 19 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.140 -0.664 17995
8696 1 19 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.879 -0.214 17995
8697 1 19 . 1 1 80 80 ASP H H 58 9.396 9.396 8.423 0.973 17995
8698 1 19 . 1 1 81 81 ASP N N 59 122.564 122.564 124.391 -1.827 17995
8699 1 19 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.308 -0.028 17995
8700 1 19 . 1 1 81 81 ASP C C 59 177.291 177.291 178.038 -0.747 17995
8701 1 19 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.221 0.238 17995
8702 1 19 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.956 -0.226 17995
8703 1 19 . 1 1 81 81 ASP H H 59 8.696 8.696 8.779 -0.083 17995
8704 1 19 . 1 1 82 82 ASP N N 60 115.817 115.817 118.567 -2.750 17995
8705 1 19 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.526 0.033 17995
8706 1 19 . 1 1 82 82 ASP C C 60 176.939 176.939 177.096 -0.157 17995
8707 1 19 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.136 -1.275 17995
8708 1 19 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.145 -0.730 17995
8709 1 19 . 1 1 82 82 ASP H H 60 8.460 8.460 8.143 0.317 17995
8710 1 19 . 1 1 83 83 GLU N N 61 118.478 118.478 115.078 3.400 17995
8711 1 19 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.431 -0.131 17995
8712 1 19 . 1 1 83 83 GLU C C 61 175.841 175.841 175.528 0.313 17995
8713 1 19 . 1 1 83 83 GLU CA C 61 57.304 57.304 55.469 1.835 17995
8714 1 19 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.453 1.038 17995
8715 1 19 . 1 1 83 83 GLU H H 61 7.903 7.903 7.737 0.166 17995
8716 1 19 . 1 1 84 84 ILE N N 62 117.759 117.759 123.601 -5.842 17995
8717 1 19 . 1 1 84 84 ILE HA H 62 4.165 4.165 4.128 0.037 17995
8718 1 19 . 1 1 84 84 ILE C C 62 174.069 174.069 174.855 -0.786 17995
8719 1 19 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.439 -1.945 17995
8720 1 19 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.547 1.588 17995
8721 1 19 . 1 1 84 84 ILE H H 62 7.396 7.396 7.356 0.039 17995
8722 1 19 . 1 1 85 85 SER N N 63 119.980 119.980 122.405 -2.425 17995
8723 1 19 . 1 1 85 85 SER HA H 63 4.789 4.789 4.703 0.086 17995
8724 1 19 . 1 1 85 85 SER CA C 63 56.772 56.772 56.931 -0.159 17995
8725 1 19 . 1 1 85 85 SER CB C 63 66.916 66.916 66.027 0.889 17995
8726 1 19 . 1 1 85 85 SER H H 63 8.384 8.384 8.122 0.262 17995
8727 1 19 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.281 -0.254 17995
8728 1 19 . 1 1 86 86 ALA C C 64 180.211 180.211 179.574 0.637 17995
8729 1 19 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.784 0.717 17995
8730 1 19 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.482 -0.472 17995
8731 1 19 . 1 1 87 87 GLN N N 65 116.123 116.123 115.566 0.557 17995
8732 1 19 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.167 -0.102 17995
8733 1 19 . 1 1 87 87 GLN C C 65 178.564 178.564 177.778 0.786 17995
8734 1 19 . 1 1 87 87 GLN CA C 65 58.739 58.739 58.321 0.418 17995
8735 1 19 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.672 0.771 17995
8736 1 19 . 1 1 87 87 GLN H H 65 7.990 7.990 8.602 -0.612 17995
8737 1 19 . 1 1 88 88 THR N N 66 119.153 119.153 115.627 3.526 17995
8738 1 19 . 1 1 88 88 THR HA H 66 3.631 3.631 4.129 -0.498 17995
8739 1 19 . 1 1 88 88 THR C C 66 174.748 174.748 174.816 -0.068 17995
8740 1 19 . 1 1 88 88 THR CA C 66 66.591 66.591 65.998 0.593 17995
8741 1 19 . 1 1 88 88 THR CB C 66 68.702 68.702 68.624 0.078 17995
8742 1 19 . 1 1 88 88 THR H H 66 7.738 7.738 7.520 0.218 17995
8743 1 19 . 1 1 89 89 PHE N N 67 115.088 115.088 116.468 -1.380 17995
8744 1 19 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.662 -0.425 17995
8745 1 19 . 1 1 89 89 PHE C C 67 173.600 173.600 176.462 -2.862 17995
8746 1 19 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.243 0.279 17995
8747 1 19 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.570 1.136 17995
8748 1 19 . 1 1 89 89 PHE H H 67 7.180 7.180 7.596 -0.416 17995
8749 1 19 . 1 1 90 90 GLU N N 68 122.222 122.222 119.752 2.470 17995
8750 1 19 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995
8751 1 19 . 1 1 90 90 GLU C C 68 178.581 178.581 176.756 1.825 17995
8752 1 19 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.443 1.283 17995
8753 1 19 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.962 0.786 17995
8754 1 19 . 1 1 90 90 GLU H H 68 7.421 7.421 7.876 -0.455 17995
8755 1 19 . 1 1 91 91 THR N N 69 106.383 106.383 111.446 -5.063 17995
8756 1 19 . 1 1 91 91 THR HA H 69 5.477 5.477 4.726 0.751 17995
8757 1 19 . 1 1 91 91 THR C C 69 174.775 174.775 173.880 0.895 17995
8758 1 19 . 1 1 91 91 THR CA C 69 58.798 58.798 59.642 -0.845 17995
8759 1 19 . 1 1 91 91 THR CB C 69 74.841 74.841 71.336 3.505 17995
8760 1 19 . 1 1 91 91 THR H H 69 8.534 8.534 7.391 1.143 17995
8761 1 19 . 1 1 92 92 LEU N N 70 120.326 120.326 125.127 -4.801 17995
8762 1 19 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.125 0.018 17995
8763 1 19 . 1 1 92 92 LEU C C 70 178.174 178.174 177.814 0.360 17995
8764 1 19 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.148 1.119 17995
8765 1 19 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.162 -1.292 17995
8766 1 19 . 1 1 92 92 LEU H H 70 7.991 7.991 8.689 -0.698 17995
8767 1 19 . 1 1 93 93 GLY N N 71 106.588 106.588 105.455 1.133 17995
8768 1 19 . 1 1 93 93 GLY C C 71 175.300 175.300 175.922 -0.622 17995
8769 1 19 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.429 -0.092 17995
8770 1 19 . 1 1 93 93 GLY H H 71 9.019 9.019 8.191 0.828 17995
8771 1 19 . 1 1 94 94 SER N N 72 120.200 120.200 118.596 1.604 17995
8772 1 19 . 1 1 94 94 SER HA H 72 4.090 4.090 4.159 -0.069 17995
8773 1 19 . 1 1 94 94 SER C C 72 177.631 177.631 176.752 0.879 17995
8774 1 19 . 1 1 94 94 SER CA C 72 62.329 62.329 61.656 0.673 17995
8775 1 19 . 1 1 94 94 SER H H 72 8.709 8.709 7.471 1.238 17995
8776 1 19 . 1 1 95 95 LEU N N 73 129.169 129.169 121.577 7.592 17995
8777 1 19 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.986 0.254 17995
8778 1 19 . 1 1 95 95 LEU C C 73 176.439 176.439 178.909 -2.470 17995
8779 1 19 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.789 1.013 17995
8780 1 19 . 1 1 95 95 LEU CB C 73 41.859 41.859 39.985 1.874 17995
8781 1 19 . 1 1 95 95 LEU H H 73 7.800 7.800 7.414 0.386 17995
8782 1 19 . 1 1 96 96 ALA N N 74 121.721 121.721 122.647 -0.926 17995
8783 1 19 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.908 0.081 17995
8784 1 19 . 1 1 96 96 ALA C C 74 180.456 180.456 179.693 0.763 17995
8785 1 19 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.254 0.448 17995
8786 1 19 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.303 -0.587 17995
8787 1 19 . 1 1 96 96 ALA H H 74 8.612 8.612 8.085 0.527 17995
8788 1 19 . 1 1 97 97 LEU N N 75 122.095 122.095 118.535 3.560 17995
8789 1 19 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.876 0.181 17995
8790 1 19 . 1 1 97 97 LEU C C 75 178.805 178.805 178.968 -0.163 17995
8791 1 19 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.967 0.802 17995
8792 1 19 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.145 1.677 17995
8793 1 19 . 1 1 97 97 LEU H H 75 8.777 8.777 7.723 1.054 17995
8794 1 19 . 1 1 98 98 PHE N N 76 122.741 122.741 118.489 4.252 17995
8795 1 19 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.933 0.329 17995
8796 1 19 . 1 1 98 98 PHE C C 76 176.878 176.878 178.403 -1.525 17995
8797 1 19 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.250 -1.018 17995
8798 1 19 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.461 0.088 17995
8799 1 19 . 1 1 98 98 PHE H H 76 7.889 7.889 7.910 -0.021 17995
8800 1 19 . 1 1 99 99 VAL N N 77 119.641 119.641 115.062 4.579 17995
8801 1 19 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.269 -0.491 17995
8802 1 19 . 1 1 99 99 VAL C C 77 176.414 176.414 177.512 -1.098 17995
8803 1 19 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.816 1.152 17995
8804 1 19 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.717 0.469 17995
8805 1 19 . 1 1 99 99 VAL H H 77 7.599 7.599 7.970 -0.371 17995
8806 1 19 . 1 1 100 100 GLU N N 78 118.850 118.850 121.581 -2.731 17995
8807 1 19 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.172 -0.399 17995
8808 1 19 . 1 1 100 100 GLU C C 78 179.007 179.007 178.961 0.046 17995
8809 1 19 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.393 0.147 17995
8810 1 19 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.069 0.709 17995
8811 1 19 . 1 1 100 100 GLU H H 78 7.740 7.740 7.895 -0.155 17995
8812 1 19 . 1 1 101 101 HIS N N 79 120.328 120.328 117.690 2.638 17995
8813 1 19 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.169 0.032 17995
8814 1 19 . 1 1 101 101 HIS C C 79 178.242 178.242 177.734 0.508 17995
8815 1 19 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.480 0.758 17995
8816 1 19 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.834 0.104 17995
8817 1 19 . 1 1 101 101 HIS H H 79 8.354 8.354 7.669 0.685 17995
8818 1 19 . 1 1 102 102 LYS N N 80 121.044 121.044 118.616 2.428 17995
8819 1 19 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.073 -0.506 17995
8820 1 19 . 1 1 102 102 LYS C C 80 179.199 179.199 178.930 0.269 17995
8821 1 19 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.424 -1.437 17995
8822 1 19 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.996 -1.820 17995
8823 1 19 . 1 1 102 102 LYS H H 80 7.908 7.908 7.832 0.076 17995
8824 1 19 . 1 1 103 103 LEU N N 81 118.698 118.698 117.882 0.816 17995
8825 1 19 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.290 -0.133 17995
8826 1 19 . 1 1 103 103 LEU C C 81 178.593 178.593 178.394 0.199 17995
8827 1 19 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.838 0.558 17995
8828 1 19 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.638 1.671 17995
8829 1 19 . 1 1 103 103 LEU H H 81 7.784 7.784 7.671 0.113 17995
8830 1 19 . 1 1 104 104 SER N N 82 114.826 114.826 112.895 1.931 17995
8831 1 19 . 1 1 104 104 SER HA H 82 4.358 4.358 4.533 -0.175 17995
8832 1 19 . 1 1 104 104 SER C C 82 174.810 174.810 174.859 -0.049 17995
8833 1 19 . 1 1 104 104 SER CA C 82 59.567 59.567 59.605 -0.037 17995
8834 1 19 . 1 1 104 104 SER CB C 82 63.859 63.859 63.858 0.001 17995
8835 1 19 . 1 1 104 104 SER H H 82 7.738 7.738 7.722 0.016 17995
8836 1 20 . 1 1 24 24 GLN N N 2 121.730 121.730 123.910 -2.180 17995
8837 1 20 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.405 -0.443 17995
8838 1 20 . 1 1 24 24 GLN C C 2 177.291 177.291 177.535 -0.244 17995
8839 1 20 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.051 1.340 17995
8840 1 20 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.355 -0.645 17995
8841 1 20 . 1 1 24 24 GLN H H 2 8.511 8.511 9.206 -0.695 17995
8842 1 20 . 1 1 25 25 HIS N N 3 116.878 116.878 120.459 -3.581 17995
8843 1 20 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.598 0.505 17995
8844 1 20 . 1 1 25 25 HIS C C 3 175.501 175.501 177.444 -1.943 17995
8845 1 20 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.512 -2.165 17995
8846 1 20 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.927 0.700 17995
8847 1 20 . 1 1 25 25 HIS H H 3 8.216 8.216 8.380 -0.164 17995
8848 1 20 . 1 1 26 26 LEU N N 4 121.540 121.540 119.227 2.313 17995
8849 1 20 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.119 -0.426 17995
8850 1 20 . 1 1 26 26 LEU C C 4 177.649 177.649 178.317 -0.668 17995
8851 1 20 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.015 1.688 17995
8852 1 20 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.311 1.024 17995
8853 1 20 . 1 1 26 26 LEU H H 4 7.447 7.447 8.067 -0.620 17995
8854 1 20 . 1 1 27 27 GLU N N 5 118.441 118.441 120.502 -2.061 17995
8855 1 20 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.898 -0.007 17995
8856 1 20 . 1 1 27 27 GLU C C 5 178.162 178.162 178.100 0.062 17995
8857 1 20 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.233 0.390 17995
8858 1 20 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.113 -0.036 17995
8859 1 20 . 1 1 27 27 GLU H H 5 8.561 8.561 7.619 0.942 17995
8860 1 20 . 1 1 28 28 ALA N N 6 122.005 122.005 121.675 0.330 17995
8861 1 20 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.124 0.008 17995
8862 1 20 . 1 1 28 28 ALA C C 6 180.421 180.421 179.896 0.525 17995
8863 1 20 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.785 0.494 17995
8864 1 20 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.089 0.677 17995
8865 1 20 . 1 1 28 28 ALA H H 6 8.205 8.205 8.216 -0.011 17995
8866 1 20 . 1 1 29 29 VAL N N 7 116.985 116.985 119.623 -2.638 17995
8867 1 20 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.761 -0.252 17995
8868 1 20 . 1 1 29 29 VAL C C 7 177.034 177.034 177.649 -0.615 17995
8869 1 20 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.765 -0.402 17995
8870 1 20 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.648 -0.209 17995
8871 1 20 . 1 1 29 29 VAL H H 7 8.392 8.392 8.084 0.308 17995
8872 1 20 . 1 1 30 30 ARG N N 8 121.674 121.674 119.436 2.238 17995
8873 1 20 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.992 -0.328 17995
8874 1 20 . 1 1 30 30 ARG C C 8 177.810 177.810 178.394 -0.584 17995
8875 1 20 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.381 1.144 17995
8876 1 20 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.371 1.295 17995
8877 1 20 . 1 1 30 30 ARG H H 8 8.784 8.784 8.225 0.559 17995
8878 1 20 . 1 1 31 31 ASN N N 9 118.102 118.102 118.495 -0.393 17995
8879 1 20 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.523 -0.239 17995
8880 1 20 . 1 1 31 31 ASN C C 9 177.890 177.890 177.299 0.591 17995
8881 1 20 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.984 0.270 17995
8882 1 20 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.179 -0.591 17995
8883 1 20 . 1 1 31 31 ASN H H 9 8.144 8.144 7.867 0.277 17995
8884 1 20 . 1 1 32 32 ILE N N 10 123.614 123.614 120.429 3.185 17995
8885 1 20 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.447 0.345 17995
8886 1 20 . 1 1 32 32 ILE C C 10 177.810 177.810 177.784 0.026 17995
8887 1 20 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.364 -0.106 17995
8888 1 20 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.961 0.773 17995
8889 1 20 . 1 1 32 32 ILE H H 10 8.137 8.137 7.737 0.400 17995
8890 1 20 . 1 1 33 33 LEU N N 11 119.797 119.797 119.658 0.139 17995
8891 1 20 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.113 -0.327 17995
8892 1 20 . 1 1 33 33 LEU C C 11 179.039 179.039 179.418 -0.379 17995
8893 1 20 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.548 0.162 17995
8894 1 20 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.293 0.783 17995
8895 1 20 . 1 1 33 33 LEU H H 11 8.637 8.637 8.237 0.400 17995
8896 1 20 . 1 1 34 34 GLY N N 12 103.682 103.682 105.711 -2.029 17995
8897 1 20 . 1 1 34 34 GLY C C 12 175.242 175.242 175.394 -0.152 17995
8898 1 20 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.836 0.882 17995
8899 1 20 . 1 1 34 34 GLY H H 12 8.513 8.513 8.397 0.116 17995
8900 1 20 . 1 1 35 35 ASP N N 13 122.235 122.235 122.218 0.017 17995
8901 1 20 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.544 0.041 17995
8902 1 20 . 1 1 35 35 ASP C C 13 179.013 179.013 178.279 0.734 17995
8903 1 20 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.828 0.088 17995
8904 1 20 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.209 -0.163 17995
8905 1 20 . 1 1 35 35 ASP H H 13 7.968 7.968 7.656 0.312 17995
8906 1 20 . 1 1 36 36 VAL N N 14 120.841 120.841 119.941 0.900 17995
8907 1 20 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.826 -0.149 17995
8908 1 20 . 1 1 36 36 VAL C C 14 177.797 177.797 177.860 -0.063 17995
8909 1 20 . 1 1 36 36 VAL CA C 14 66.004 66.004 66.089 -0.085 17995
8910 1 20 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.121 0.111 17995
8911 1 20 . 1 1 36 36 VAL H H 14 8.765 8.765 8.090 0.675 17995
8912 1 20 . 1 1 37 37 LEU N N 15 114.630 114.630 116.069 -1.439 17995
8913 1 20 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.238 0.043 17995
8914 1 20 . 1 1 37 37 LEU C C 15 175.483 175.483 176.041 -0.558 17995
8915 1 20 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.828 -0.658 17995
8916 1 20 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.015 -1.321 17995
8917 1 20 . 1 1 37 37 LEU H H 15 7.942 7.942 7.692 0.250 17995
8918 1 20 . 1 1 38 38 ASN N N 16 116.887 116.887 115.594 1.293 17995
8919 1 20 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.548 -0.015 17995
8920 1 20 . 1 1 38 38 ASN C C 16 175.668 175.668 175.258 0.410 17995
8921 1 20 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.615 0.305 17995
8922 1 20 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.692 -0.834 17995
8923 1 20 . 1 1 38 38 ASN H H 16 7.561 7.561 7.843 -0.282 17995
8924 1 20 . 1 1 39 39 LEU N N 17 114.676 114.676 119.216 -4.540 17995
8925 1 20 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.345 -0.275 17995
8926 1 20 . 1 1 39 39 LEU C C 17 178.415 178.415 178.264 0.151 17995
8927 1 20 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.548 0.196 17995
8928 1 20 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.940 1.336 17995
8929 1 20 . 1 1 39 39 LEU H H 17 8.233 8.233 7.965 0.268 17995
8930 1 20 . 1 1 40 40 GLY N N 18 109.665 109.665 107.622 2.043 17995
8931 1 20 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.620 -0.315 17995
8932 1 20 . 1 1 40 40 GLY H H 18 8.678 8.678 7.943 0.735 17995
8933 1 20 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.208 -0.080 17995
8934 1 20 . 1 1 41 41 GLU C C 19 178.328 178.328 178.073 0.255 17995
8935 1 20 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.384 0.880 17995
8936 1 20 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.432 -0.352 17995
8937 1 20 . 1 1 42 42 ARG N N 20 118.936 118.936 120.525 -1.589 17995
8938 1 20 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.093 0.082 17995
8939 1 20 . 1 1 42 42 ARG C C 20 178.912 178.912 177.611 1.301 17995
8940 1 20 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.411 -0.174 17995
8941 1 20 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.275 -0.219 17995
8942 1 20 . 1 1 42 42 ARG H H 20 7.979 7.979 7.845 0.134 17995
8943 1 20 . 1 1 43 43 LYS N N 21 119.087 119.087 115.183 3.904 17995
8944 1 20 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.127 -0.379 17995
8945 1 20 . 1 1 43 43 LYS C C 21 176.559 176.559 178.695 -2.136 17995
8946 1 20 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.806 0.292 17995
8947 1 20 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.950 0.032 17995
8948 1 20 . 1 1 43 43 LYS H H 21 7.719 7.719 7.786 -0.067 17995
8949 1 20 . 1 1 44 44 HIS N N 22 115.571 115.571 117.657 -2.086 17995
8950 1 20 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.658 -0.230 17995
8951 1 20 . 1 1 44 44 HIS C C 22 176.288 176.288 175.618 0.670 17995
8952 1 20 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.779 0.005 17995
8953 1 20 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.004 -0.534 17995
8954 1 20 . 1 1 44 44 HIS H H 22 7.124 7.124 7.700 -0.577 17995
8955 1 20 . 1 1 45 45 THR N N 23 107.890 107.890 113.330 -5.440 17995
8956 1 20 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995
8957 1 20 . 1 1 45 45 THR C C 23 174.650 174.650 174.033 0.617 17995
8958 1 20 . 1 1 45 45 THR CA C 23 61.627 61.627 61.728 -0.101 17995
8959 1 20 . 1 1 45 45 THR CB C 23 69.475 69.475 68.817 0.658 17995
8960 1 20 . 1 1 45 45 THR H H 23 7.441 7.441 7.634 -0.193 17995
8961 1 20 . 1 1 46 46 LEU N N 24 121.435 121.435 117.934 3.501 17995
8962 1 20 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.766 -0.143 17995
8963 1 20 . 1 1 46 46 LEU C C 24 176.537 176.537 175.218 1.319 17995
8964 1 20 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.167 1.423 17995
8965 1 20 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.890 -0.773 17995
8966 1 20 . 1 1 46 46 LEU H H 24 7.059 7.059 7.109 -0.050 17995
8967 1 20 . 1 1 47 47 THR N N 25 116.104 116.104 112.978 3.126 17995
8968 1 20 . 1 1 47 47 THR HA H 25 4.605 4.605 4.566 0.039 17995
8969 1 20 . 1 1 47 47 THR C C 25 175.526 175.526 176.248 -0.722 17995
8970 1 20 . 1 1 47 47 THR CA C 25 59.878 59.878 60.100 -0.222 17995
8971 1 20 . 1 1 47 47 THR CB C 25 71.752 71.752 70.695 1.057 17995
8972 1 20 . 1 1 47 47 THR H H 25 9.432 9.432 7.945 1.487 17995
8973 1 20 . 1 1 48 48 ALA N N 26 122.234 122.234 122.746 -0.512 17995
8974 1 20 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.143 -0.334 17995
8975 1 20 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.843 0.750 17995
8976 1 20 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.198 0.456 17995
8977 1 20 . 1 1 48 48 ALA H H 26 9.142 9.142 8.542 0.600 17995
8978 1 20 . 1 1 49 49 SER HA H 27 4.448 4.448 4.380 0.068 17995
8979 1 20 . 1 1 49 49 SER C C 27 174.637 174.637 174.789 -0.152 17995
8980 1 20 . 1 1 49 49 SER CA C 27 58.348 58.348 58.863 -0.515 17995
8981 1 20 . 1 1 49 49 SER CB C 27 63.704 63.704 62.880 0.824 17995
8982 1 20 . 1 1 50 50 SER N N 28 122.032 122.032 118.049 3.983 17995
8983 1 20 . 1 1 50 50 SER HA H 28 4.269 4.269 4.471 -0.202 17995
8984 1 20 . 1 1 50 50 SER C C 28 172.904 172.904 173.672 -0.768 17995
8985 1 20 . 1 1 50 50 SER CA C 28 60.846 60.846 58.655 2.191 17995
8986 1 20 . 1 1 50 50 SER CB C 28 63.063 63.063 64.267 -1.204 17995
8987 1 20 . 1 1 50 50 SER H H 28 8.157 8.157 7.469 0.688 17995
8988 1 20 . 1 1 51 51 VAL N N 29 127.079 127.079 125.814 1.265 17995
8989 1 20 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.182 0.160 17995
8990 1 20 . 1 1 51 51 VAL C C 29 176.612 176.612 175.736 0.876 17995
8991 1 20 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.052 -0.604 17995
8992 1 20 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.703 -0.478 17995
8993 1 20 . 1 1 51 51 VAL H H 29 8.505 8.505 8.675 -0.170 17995
8994 1 20 . 1 1 52 52 LEU N N 30 126.014 126.014 125.223 0.791 17995
8995 1 20 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.678 0.117 17995
8996 1 20 . 1 1 52 52 LEU C C 30 176.569 176.569 176.692 -0.123 17995
8997 1 20 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.473 -0.941 17995
8998 1 20 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.037 -2.033 17995
8999 1 20 . 1 1 52 52 LEU H H 30 7.954 7.954 8.433 -0.479 17995
9000 1 20 . 1 1 53 53 LEU N N 31 122.601 122.601 120.550 2.051 17995
9001 1 20 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.079 0.007 17995
9002 1 20 . 1 1 53 53 LEU C C 31 177.683 177.683 177.705 -0.022 17995
9003 1 20 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.591 0.783 17995
9004 1 20 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.353 -0.534 17995
9005 1 20 . 1 1 53 53 LEU H H 31 7.777 7.777 8.006 -0.229 17995
9006 1 20 . 1 1 54 54 GLY N N 32 114.941 114.941 115.152 -0.211 17995
9007 1 20 . 1 1 54 54 GLY C C 32 173.612 173.612 173.951 -0.339 17995
9008 1 20 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.758 -0.200 17995
9009 1 20 . 1 1 54 54 GLY H H 32 9.121 9.121 9.165 -0.044 17995
9010 1 20 . 1 1 55 55 ASN N N 33 117.901 117.901 119.761 -1.860 17995
9011 1 20 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.791 0.139 17995
9012 1 20 . 1 1 55 55 ASN C C 33 174.458 174.458 176.077 -1.619 17995
9013 1 20 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.736 0.083 17995
9014 1 20 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.802 1.745 17995
9015 1 20 . 1 1 55 55 ASN H H 33 7.789 7.789 7.745 0.044 17995
9016 1 20 . 1 1 56 56 ILE N N 34 120.163 120.163 123.451 -3.288 17995
9017 1 20 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.274 0.263 17995
9018 1 20 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.677 -0.676 17995
9019 1 20 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.487 1.606 17995
9020 1 20 . 1 1 56 56 ILE H H 34 7.703 7.703 8.071 -0.368 17995
9021 1 20 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.440 -0.267 17995
9022 1 20 . 1 1 57 57 PRO C C 35 177.969 177.969 176.559 1.410 17995
9023 1 20 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.191 1.085 17995
9024 1 20 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.969 -0.035 17995
9025 1 20 . 1 1 58 58 GLU N N 36 116.701 116.701 116.816 -0.115 17995
9026 1 20 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.407 -0.435 17995
9027 1 20 . 1 1 58 58 GLU C C 36 176.612 176.612 175.817 0.795 17995
9028 1 20 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.730 3.617 17995
9029 1 20 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.690 0.142 17995
9030 1 20 . 1 1 58 58 GLU H H 36 9.581 9.581 8.559 1.022 17995
9031 1 20 . 1 1 59 59 LEU N N 37 121.189 121.189 124.082 -2.893 17995
9032 1 20 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.416 -0.104 17995
9033 1 20 . 1 1 59 59 LEU C C 37 173.353 173.353 175.525 -2.172 17995
9034 1 20 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.682 -1.404 17995
9035 1 20 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.414 0.585 17995
9036 1 20 . 1 1 59 59 LEU H H 37 7.560 7.560 7.287 0.273 17995
9037 1 20 . 1 1 60 60 ASP N N 38 126.468 126.468 124.232 2.236 17995
9038 1 20 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.766 -0.051 17995
9039 1 20 . 1 1 60 60 ASP C C 38 175.828 175.828 176.856 -1.028 17995
9040 1 20 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.250 -1.330 17995
9041 1 20 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.404 -2.848 17995
9042 1 20 . 1 1 60 60 ASP H H 38 7.527 7.527 7.570 -0.043 17995
9043 1 20 . 1 1 61 61 SER N N 39 113.128 113.128 115.765 -2.637 17995
9044 1 20 . 1 1 61 61 SER HA H 39 4.019 4.019 4.195 -0.176 17995
9045 1 20 . 1 1 61 61 SER C C 39 175.854 175.854 176.845 -0.991 17995
9046 1 20 . 1 1 61 61 SER CA C 39 61.276 61.276 61.638 -0.362 17995
9047 1 20 . 1 1 61 61 SER CB C 39 65.520 65.520 62.947 2.573 17995
9048 1 20 . 1 1 61 61 SER H H 39 8.623 8.623 8.524 0.099 17995
9049 1 20 . 1 1 62 62 MET N N 40 121.706 121.706 119.267 2.439 17995
9050 1 20 . 1 1 62 62 MET HA H 40 4.303 4.303 4.332 -0.029 17995
9051 1 20 . 1 1 62 62 MET C C 40 177.755 177.755 177.920 -0.165 17995
9052 1 20 . 1 1 62 62 MET CA C 40 57.714 57.714 56.561 1.153 17995
9053 1 20 . 1 1 62 62 MET CB C 40 32.386 32.386 31.413 0.973 17995
9054 1 20 . 1 1 62 62 MET H H 40 7.802 7.802 8.527 -0.725 17995
9055 1 20 . 1 1 63 63 ALA N N 41 124.277 124.277 121.747 2.530 17995
9056 1 20 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.182 -0.011 17995
9057 1 20 . 1 1 63 63 ALA C C 41 179.893 179.893 179.707 0.186 17995
9058 1 20 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.765 0.336 17995
9059 1 20 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.631 2.025 17995
9060 1 20 . 1 1 63 63 ALA H H 41 8.295 8.295 8.280 0.015 17995
9061 1 20 . 1 1 64 64 VAL N N 42 118.186 118.186 115.975 2.211 17995
9062 1 20 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.447 -0.454 17995
9063 1 20 . 1 1 64 64 VAL C C 42 177.327 177.327 177.370 -0.043 17995
9064 1 20 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.886 1.426 17995
9065 1 20 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.437 -0.245 17995
9066 1 20 . 1 1 64 64 VAL H H 42 8.019 8.019 7.788 0.231 17995
9067 1 20 . 1 1 65 65 VAL N N 43 118.361 118.361 120.987 -2.626 17995
9068 1 20 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.527 0.037 17995
9069 1 20 . 1 1 65 65 VAL C C 43 178.520 178.520 178.075 0.445 17995
9070 1 20 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.641 -0.084 17995
9071 1 20 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.037 0.463 17995
9072 1 20 . 1 1 65 65 VAL H H 43 6.942 6.942 7.385 -0.443 17995
9073 1 20 . 1 1 66 66 ASN N N 44 119.476 119.476 118.315 1.161 17995
9074 1 20 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.498 0.064 17995
9075 1 20 . 1 1 66 66 ASN C C 44 178.760 178.760 178.044 0.716 17995
9076 1 20 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.237 -0.401 17995
9077 1 20 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.428 -0.621 17995
9078 1 20 . 1 1 66 66 ASN H H 44 7.789 7.789 8.069 -0.280 17995
9079 1 20 . 1 1 67 67 VAL N N 45 124.029 124.029 116.697 7.332 17995
9080 1 20 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.921 -0.303 17995
9081 1 20 . 1 1 67 67 VAL C C 45 177.100 177.100 177.858 -0.758 17995
9082 1 20 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.947 1.419 17995
9083 1 20 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.599 -0.139 17995
9084 1 20 . 1 1 67 67 VAL H H 45 9.055 9.055 7.619 1.436 17995
9085 1 20 . 1 1 68 68 ILE N N 46 121.006 121.006 121.833 -0.827 17995
9086 1 20 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.795 -0.007 17995
9087 1 20 . 1 1 68 68 ILE C C 46 177.871 177.871 177.993 -0.122 17995
9088 1 20 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.636 -0.374 17995
9089 1 20 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.489 -1.322 17995
9090 1 20 . 1 1 68 68 ILE H H 46 8.509 8.509 7.807 0.702 17995
9091 1 20 . 1 1 69 69 THR N N 47 116.096 116.096 115.876 0.220 17995
9092 1 20 . 1 1 69 69 THR HA H 47 4.391 4.391 3.931 0.460 17995
9093 1 20 . 1 1 69 69 THR C C 47 176.365 176.365 176.322 0.043 17995
9094 1 20 . 1 1 69 69 THR CA C 47 66.256 66.256 66.725 -0.469 17995
9095 1 20 . 1 1 69 69 THR CB C 47 69.098 69.098 68.337 0.761 17995
9096 1 20 . 1 1 69 69 THR H H 47 8.512 8.512 7.933 0.579 17995
9097 1 20 . 1 1 70 70 ALA N N 48 123.948 123.948 124.385 -0.437 17995
9098 1 20 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.212 0.091 17995
9099 1 20 . 1 1 70 70 ALA C C 48 181.452 181.452 179.862 1.590 17995
9100 1 20 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.246 -0.063 17995
9101 1 20 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.225 1.197 17995
9102 1 20 . 1 1 70 70 ALA H H 48 7.802 7.802 7.908 -0.106 17995
9103 1 20 . 1 1 71 71 LEU N N 49 121.199 121.199 119.776 1.423 17995
9104 1 20 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.334 -0.111 17995
9105 1 20 . 1 1 71 71 LEU C C 49 178.192 178.192 179.584 -1.392 17995
9106 1 20 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.669 -0.108 17995
9107 1 20 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.063 1.388 17995
9108 1 20 . 1 1 71 71 LEU H H 49 8.802 8.802 8.269 0.533 17995
9109 1 20 . 1 1 72 72 GLU N N 50 119.782 119.782 118.269 1.513 17995
9110 1 20 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.080 -0.590 17995
9111 1 20 . 1 1 72 72 GLU C C 50 180.303 180.303 179.566 0.737 17995
9112 1 20 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.078 0.773 17995
9113 1 20 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.909 2.199 17995
9114 1 20 . 1 1 72 72 GLU H H 50 8.762 8.762 7.988 0.774 17995
9115 1 20 . 1 1 73 73 GLU N N 51 116.902 116.902 118.716 -1.814 17995
9116 1 20 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995
9117 1 20 . 1 1 73 73 GLU C C 51 178.334 178.334 178.978 -0.644 17995
9118 1 20 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.710 -0.092 17995
9119 1 20 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.382 0.700 17995
9120 1 20 . 1 1 73 73 GLU H H 51 7.953 7.953 7.875 0.078 17995
9121 1 20 . 1 1 74 74 TYR N N 52 119.999 119.999 117.050 2.949 17995
9122 1 20 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.300 -0.418 17995
9123 1 20 . 1 1 74 74 TYR C C 52 177.384 177.384 178.180 -0.796 17995
9124 1 20 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.089 0.511 17995
9125 1 20 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.640 1.005 17995
9126 1 20 . 1 1 74 74 TYR H H 52 8.078 8.078 8.111 -0.033 17995
9127 1 20 . 1 1 75 75 PHE N N 53 113.650 113.650 114.973 -1.323 17995
9128 1 20 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.499 -0.313 17995
9129 1 20 . 1 1 75 75 PHE C C 53 174.485 174.485 175.735 -1.250 17995
9130 1 20 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.641 -0.397 17995
9131 1 20 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.534 0.506 17995
9132 1 20 . 1 1 75 75 PHE H H 53 8.244 8.244 8.144 0.100 17995
9133 1 20 . 1 1 76 76 ASP N N 54 119.712 119.712 117.983 1.729 17995
9134 1 20 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.574 -0.194 17995
9135 1 20 . 1 1 76 76 ASP C C 54 174.118 174.118 175.467 -1.349 17995
9136 1 20 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.592 -0.729 17995
9137 1 20 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.188 -0.032 17995
9138 1 20 . 1 1 76 76 ASP H H 54 7.596 7.596 8.246 -0.650 17995
9139 1 20 . 1 1 77 77 PHE N N 55 113.804 113.804 116.721 -2.917 17995
9140 1 20 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.008 0.067 17995
9141 1 20 . 1 1 77 77 PHE C C 55 174.384 174.384 173.568 0.816 17995
9142 1 20 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.527 -1.091 17995
9143 1 20 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.669 -0.038 17995
9144 1 20 . 1 1 77 77 PHE H H 55 7.725 7.725 8.101 -0.376 17995
9145 1 20 . 1 1 78 78 SER N N 56 114.319 114.319 114.913 -0.594 17995
9146 1 20 . 1 1 78 78 SER HA H 56 5.149 5.149 4.805 0.344 17995
9147 1 20 . 1 1 78 78 SER C C 56 174.100 174.100 173.120 0.980 17995
9148 1 20 . 1 1 78 78 SER CA C 56 56.800 56.800 56.608 0.192 17995
9149 1 20 . 1 1 78 78 SER CB C 56 65.011 65.011 63.688 1.323 17995
9150 1 20 . 1 1 78 78 SER H H 56 8.727 8.727 8.232 0.495 17995
9151 1 20 . 1 1 79 79 VAL N N 57 128.316 128.316 128.224 0.092 17995
9152 1 20 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.762 0.482 17995
9153 1 20 . 1 1 79 79 VAL C C 57 175.637 175.637 175.234 0.403 17995
9154 1 20 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.275 -1.521 17995
9155 1 20 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.904 0.969 17995
9156 1 20 . 1 1 79 79 VAL H H 57 10.222 10.222 7.998 2.224 17995
9157 1 20 . 1 1 80 80 ASP N N 58 130.058 130.058 126.499 3.559 17995
9158 1 20 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.529 0.317 17995
9159 1 20 . 1 1 80 80 ASP C C 58 177.205 177.205 176.739 0.466 17995
9160 1 20 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.106 -0.630 17995
9161 1 20 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.570 -0.905 17995
9162 1 20 . 1 1 80 80 ASP H H 58 9.396 9.396 8.101 1.295 17995
9163 1 20 . 1 1 81 81 ASP N N 59 122.564 122.564 123.576 -1.012 17995
9164 1 20 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.343 -0.063 17995
9165 1 20 . 1 1 81 81 ASP C C 59 177.291 177.291 177.692 -0.401 17995
9166 1 20 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.977 0.483 17995
9167 1 20 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.030 -0.300 17995
9168 1 20 . 1 1 81 81 ASP H H 59 8.696 8.696 8.706 -0.010 17995
9169 1 20 . 1 1 82 82 ASP N N 60 115.817 115.817 119.042 -3.225 17995
9170 1 20 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.518 0.041 17995
9171 1 20 . 1 1 82 82 ASP C C 60 176.939 176.939 177.120 -0.181 17995
9172 1 20 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.104 -1.243 17995
9173 1 20 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.860 -0.445 17995
9174 1 20 . 1 1 82 82 ASP H H 60 8.460 8.460 8.171 0.289 17995
9175 1 20 . 1 1 83 83 GLU N N 61 118.478 118.478 116.224 2.254 17995
9176 1 20 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.429 -0.128 17995
9177 1 20 . 1 1 83 83 GLU C C 61 175.841 175.841 175.492 0.349 17995
9178 1 20 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.413 0.892 17995
9179 1 20 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.419 1.072 17995
9180 1 20 . 1 1 83 83 GLU H H 61 7.903 7.903 7.629 0.274 17995
9181 1 20 . 1 1 84 84 ILE N N 62 117.759 117.759 122.398 -4.639 17995
9182 1 20 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.871 0.294 17995
9183 1 20 . 1 1 84 84 ILE C C 62 174.069 174.069 175.021 -0.952 17995
9184 1 20 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.808 -2.314 17995
9185 1 20 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.667 1.468 17995
9186 1 20 . 1 1 84 84 ILE H H 62 7.396 7.396 7.286 0.110 17995
9187 1 20 . 1 1 85 85 SER N N 63 119.980 119.980 122.575 -2.595 17995
9188 1 20 . 1 1 85 85 SER HA H 63 4.789 4.789 4.674 0.115 17995
9189 1 20 . 1 1 85 85 SER CA C 63 56.772 56.772 56.913 -0.140 17995
9190 1 20 . 1 1 85 85 SER CB C 63 66.916 66.916 65.864 1.052 17995
9191 1 20 . 1 1 85 85 SER H H 63 8.384 8.384 8.397 -0.013 17995
9192 1 20 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.260 -0.233 17995
9193 1 20 . 1 1 86 86 ALA C C 64 180.211 180.211 179.680 0.531 17995
9194 1 20 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.849 0.652 17995
9195 1 20 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.494 -0.484 17995
9196 1 20 . 1 1 87 87 GLN N N 65 116.123 116.123 113.870 2.253 17995
9197 1 20 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.237 -0.172 17995
9198 1 20 . 1 1 87 87 GLN C C 65 178.564 178.564 177.061 1.503 17995
9199 1 20 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.422 1.317 17995
9200 1 20 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.483 0.960 17995
9201 1 20 . 1 1 87 87 GLN H H 65 7.990 7.990 8.582 -0.592 17995
9202 1 20 . 1 1 88 88 THR N N 66 119.153 119.153 115.435 3.718 17995
9203 1 20 . 1 1 88 88 THR HA H 66 3.631 3.631 4.253 -0.622 17995
9204 1 20 . 1 1 88 88 THR C C 66 174.748 174.748 174.966 -0.218 17995
9205 1 20 . 1 1 88 88 THR CA C 66 66.591 66.591 65.041 1.550 17995
9206 1 20 . 1 1 88 88 THR CB C 66 68.702 68.702 68.972 -0.270 17995
9207 1 20 . 1 1 88 88 THR H H 66 7.738 7.738 7.440 0.298 17995
9208 1 20 . 1 1 89 89 PHE N N 67 115.088 115.088 117.515 -2.427 17995
9209 1 20 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.728 -0.491 17995
9210 1 20 . 1 1 89 89 PHE C C 67 173.600 173.600 176.198 -2.598 17995
9211 1 20 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.141 0.382 17995
9212 1 20 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.410 0.296 17995
9213 1 20 . 1 1 89 89 PHE H H 67 7.180 7.180 7.638 -0.458 17995
9214 1 20 . 1 1 90 90 GLU N N 68 122.222 122.222 119.425 2.797 17995
9215 1 20 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.121 0.046 17995
9216 1 20 . 1 1 90 90 GLU C C 68 178.581 178.581 177.052 1.529 17995
9217 1 20 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.194 1.532 17995
9218 1 20 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.982 0.766 17995
9219 1 20 . 1 1 90 90 GLU H H 68 7.421 7.421 7.966 -0.545 17995
9220 1 20 . 1 1 91 91 THR N N 69 106.383 106.383 108.587 -2.204 17995
9221 1 20 . 1 1 91 91 THR HA H 69 5.477 5.477 4.803 0.674 17995
9222 1 20 . 1 1 91 91 THR C C 69 174.775 174.775 174.397 0.378 17995
9223 1 20 . 1 1 91 91 THR CA C 69 58.798 58.798 59.514 -0.716 17995
9224 1 20 . 1 1 91 91 THR CB C 69 74.841 74.841 72.908 1.933 17995
9225 1 20 . 1 1 91 91 THR H H 69 8.534 8.534 7.398 1.136 17995
9226 1 20 . 1 1 92 92 LEU N N 70 120.326 120.326 122.805 -2.479 17995
9227 1 20 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.113 0.030 17995
9228 1 20 . 1 1 92 92 LEU C C 70 178.174 178.174 178.140 0.034 17995
9229 1 20 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.771 0.495 17995
9230 1 20 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.009 -1.139 17995
9231 1 20 . 1 1 92 92 LEU H H 70 7.991 7.991 8.457 -0.466 17995
9232 1 20 . 1 1 93 93 GLY N N 71 106.588 106.588 105.046 1.542 17995
9233 1 20 . 1 1 93 93 GLY C C 71 175.300 175.300 176.008 -0.708 17995
9234 1 20 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.383 -0.046 17995
9235 1 20 . 1 1 93 93 GLY H H 71 9.019 9.019 8.330 0.689 17995
9236 1 20 . 1 1 94 94 SER N N 72 120.200 120.200 118.517 1.683 17995
9237 1 20 . 1 1 94 94 SER HA H 72 4.090 4.090 4.183 -0.093 17995
9238 1 20 . 1 1 94 94 SER C C 72 177.631 177.631 176.370 1.261 17995
9239 1 20 . 1 1 94 94 SER CA C 72 62.329 62.329 61.939 0.390 17995
9240 1 20 . 1 1 94 94 SER H H 72 8.709 8.709 7.425 1.284 17995
9241 1 20 . 1 1 95 95 LEU N N 73 129.169 129.169 121.749 7.420 17995
9242 1 20 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.998 0.242 17995
9243 1 20 . 1 1 95 95 LEU C C 73 176.439 176.439 179.115 -2.676 17995
9244 1 20 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.179 0.623 17995
9245 1 20 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.027 1.832 17995
9246 1 20 . 1 1 95 95 LEU H H 73 7.800 7.800 7.396 0.404 17995
9247 1 20 . 1 1 96 96 ALA N N 74 121.721 121.721 122.348 -0.627 17995
9248 1 20 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.908 0.081 17995
9249 1 20 . 1 1 96 96 ALA C C 74 180.456 180.456 179.832 0.624 17995
9250 1 20 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.224 0.478 17995
9251 1 20 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.299 -0.583 17995
9252 1 20 . 1 1 96 96 ALA H H 74 8.612 8.612 8.084 0.528 17995
9253 1 20 . 1 1 97 97 LEU N N 75 122.095 122.095 118.909 3.186 17995
9254 1 20 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.867 0.190 17995
9255 1 20 . 1 1 97 97 LEU C C 75 178.805 178.805 179.173 -0.368 17995
9256 1 20 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.267 0.502 17995
9257 1 20 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.396 1.426 17995
9258 1 20 . 1 1 97 97 LEU H H 75 8.777 8.777 7.812 0.965 17995
9259 1 20 . 1 1 98 98 PHE N N 76 122.741 122.741 118.106 4.635 17995
9260 1 20 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.005 0.257 17995
9261 1 20 . 1 1 98 98 PHE C C 76 176.878 176.878 178.603 -1.725 17995
9262 1 20 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.205 -0.973 17995
9263 1 20 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.440 0.109 17995
9264 1 20 . 1 1 98 98 PHE H H 76 7.889 7.889 7.748 0.141 17995
9265 1 20 . 1 1 99 99 VAL N N 77 119.641 119.641 114.951 4.690 17995
9266 1 20 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.437 -0.659 17995
9267 1 20 . 1 1 99 99 VAL C C 77 176.414 176.414 177.446 -1.032 17995
9268 1 20 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.879 1.089 17995
9269 1 20 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.977 0.209 17995
9270 1 20 . 1 1 99 99 VAL H H 77 7.599 7.599 8.364 -0.765 17995
9271 1 20 . 1 1 100 100 GLU N N 78 118.850 118.850 122.124 -3.274 17995
9272 1 20 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.166 -0.393 17995
9273 1 20 . 1 1 100 100 GLU C C 78 179.007 179.007 179.048 -0.041 17995
9274 1 20 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.459 0.081 17995
9275 1 20 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.055 0.723 17995
9276 1 20 . 1 1 100 100 GLU H H 78 7.740 7.740 8.047 -0.307 17995
9277 1 20 . 1 1 101 101 HIS N N 79 120.328 120.328 116.173 4.155 17995
9278 1 20 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.443 -0.242 17995
9279 1 20 . 1 1 101 101 HIS C C 79 178.242 178.242 177.757 0.485 17995
9280 1 20 . 1 1 101 101 HIS CA C 79 59.238 59.238 57.563 1.675 17995
9281 1 20 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.973 -0.035 17995
9282 1 20 . 1 1 101 101 HIS H H 79 8.354 8.354 7.529 0.825 17995
9283 1 20 . 1 1 102 102 LYS N N 80 121.044 121.044 119.238 1.806 17995
9284 1 20 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.232 -0.665 17995
9285 1 20 . 1 1 102 102 LYS C C 80 179.199 179.199 178.709 0.490 17995
9286 1 20 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.063 -1.076 17995
9287 1 20 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.469 -2.293 17995
9288 1 20 . 1 1 102 102 LYS H H 80 7.908 7.908 7.744 0.164 17995
9289 1 20 . 1 1 103 103 LEU N N 81 118.698 118.698 119.620 -0.922 17995
9290 1 20 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.241 -0.083 17995
9291 1 20 . 1 1 103 103 LEU C C 81 178.593 178.593 178.595 -0.002 17995
9292 1 20 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.911 0.485 17995
9293 1 20 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.029 2.280 17995
9294 1 20 . 1 1 103 103 LEU H H 81 7.784 7.784 7.995 -0.211 17995
9295 1 20 . 1 1 104 104 SER N N 82 114.826 114.826 114.385 0.441 17995
9296 1 20 . 1 1 104 104 SER HA H 82 4.358 4.358 4.314 0.044 17995
9297 1 20 . 1 1 104 104 SER C C 82 174.810 174.810 175.231 -0.421 17995
9298 1 20 . 1 1 104 104 SER CA C 82 59.567 59.567 60.356 -0.789 17995
9299 1 20 . 1 1 104 104 SER CB C 82 63.859 63.859 63.353 0.506 17995
9300 1 20 . 1 1 104 104 SER H H 82 7.738 7.738 7.906 -0.168 17995
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 77 2.529 -0.459 2.503 17995
2 1 1 "Average Difference" HA 85 0.306 0.051 0.304 17995
3 1 1 "Average Difference" C 77 0.963 0.149 0.958 17995
4 1 1 "Average Difference" CA 81 0.983 -0.170 0.974 17995
5 1 1 "Average Difference" CB 76 1.054 -0.279 1.023 17995
6 1 1 "Average Difference" HN 77 0.618 -0.196 0.590 17995
7 1 2 "Average Difference" N 77 2.722 -0.428 2.706 17995
8 1 2 "Average Difference" HA 85 0.296 0.052 0.293 17995
9 1 2 "Average Difference" C 77 0.972 0.183 0.961 17995
10 1 2 "Average Difference" CA 81 1.028 -0.155 1.023 17995
11 1 2 "Average Difference" CB 76 0.996 -0.367 0.932 17995
12 1 2 "Average Difference" HN 77 0.609 -0.213 0.574 17995
13 1 3 "Average Difference" N 77 2.815 -0.448 2.797 17995
14 1 3 "Average Difference" HA 85 0.264 0.033 0.263 17995
15 1 3 "Average Difference" C 77 1.013 0.177 1.004 17995
16 1 3 "Average Difference" CA 81 0.978 -0.111 0.977 17995
17 1 3 "Average Difference" CB 76 1.021 -0.284 0.987 17995
18 1 3 "Average Difference" HN 77 0.588 -0.190 0.559 17995
19 1 4 "Average Difference" N 77 2.919 -0.296 2.923 17995
20 1 4 "Average Difference" HA 85 0.295 0.026 0.296 17995
21 1 4 "Average Difference" C 77 0.928 0.132 0.925 17995
22 1 4 "Average Difference" CA 81 1.050 -0.229 1.031 17995
23 1 4 "Average Difference" CB 76 1.116 -0.358 1.064 17995
24 1 4 "Average Difference" HN 77 0.588 -0.208 0.554 17995
25 1 5 "Average Difference" N 77 2.683 -0.472 2.659 17995
26 1 5 "Average Difference" HA 85 0.295 0.020 0.296 17995
27 1 5 "Average Difference" C 77 0.990 0.183 0.979 17995
28 1 5 "Average Difference" CA 81 1.014 -0.117 1.013 17995
29 1 5 "Average Difference" CB 76 1.045 -0.280 1.013 17995
30 1 5 "Average Difference" HN 77 0.573 -0.180 0.547 17995
31 1 6 "Average Difference" N 77 2.773 -0.345 2.769 17995
32 1 6 "Average Difference" HA 85 0.277 0.045 0.275 17995
33 1 6 "Average Difference" C 77 0.937 0.119 0.936 17995
34 1 6 "Average Difference" CA 81 1.019 -0.156 1.013 17995
35 1 6 "Average Difference" CB 76 1.058 -0.287 1.025 17995
36 1 6 "Average Difference" HN 77 0.574 -0.202 0.541 17995
37 1 7 "Average Difference" N 77 2.852 -0.426 2.838 17995
38 1 7 "Average Difference" HA 85 0.275 0.036 0.275 17995
39 1 7 "Average Difference" C 77 0.999 0.146 0.995 17995
40 1 7 "Average Difference" CA 81 0.973 -0.099 0.974 17995
41 1 7 "Average Difference" CB 76 1.084 -0.343 1.035 17995
42 1 7 "Average Difference" HN 77 0.603 -0.192 0.575 17995
43 1 8 "Average Difference" N 77 2.777 -0.187 2.789 17995
44 1 8 "Average Difference" HA 85 0.282 0.029 0.282 17995
45 1 8 "Average Difference" C 77 1.018 0.141 1.015 17995
46 1 8 "Average Difference" CA 81 0.954 -0.179 0.942 17995
47 1 8 "Average Difference" CB 76 1.066 -0.336 1.018 17995
48 1 8 "Average Difference" HN 77 0.584 -0.220 0.544 17995
49 1 9 "Average Difference" N 77 2.835 -0.456 2.816 17995
50 1 9 "Average Difference" HA 85 0.287 0.027 0.288 17995
51 1 9 "Average Difference" C 77 0.930 0.128 0.927 17995
52 1 9 "Average Difference" CA 81 1.067 -0.131 1.065 17995
53 1 9 "Average Difference" CB 76 1.177 -0.384 1.120 17995
54 1 9 "Average Difference" HN 77 0.598 -0.215 0.562 17995
55 1 10 "Average Difference" N 77 2.566 -0.322 2.562 17995
56 1 10 "Average Difference" HA 85 0.305 0.029 0.305 17995
57 1 10 "Average Difference" C 77 0.935 0.200 0.919 17995
58 1 10 "Average Difference" CA 81 0.959 -0.125 0.957 17995
59 1 10 "Average Difference" CB 76 1.069 -0.374 1.008 17995
60 1 10 "Average Difference" HN 77 0.565 -0.208 0.528 17995
61 1 11 "Average Difference" N 77 2.810 -0.313 2.811 17995
62 1 11 "Average Difference" HA 85 0.295 0.026 0.295 17995
63 1 11 "Average Difference" C 77 1.004 0.164 0.997 17995
64 1 11 "Average Difference" CA 81 0.999 -0.130 0.997 17995
65 1 11 "Average Difference" CB 76 1.087 -0.338 1.040 17995
66 1 11 "Average Difference" HN 77 0.583 -0.193 0.554 17995
67 1 12 "Average Difference" N 77 2.999 -0.348 2.998 17995
68 1 12 "Average Difference" HA 85 0.297 0.033 0.297 17995
69 1 12 "Average Difference" C 77 1.007 0.115 1.007 17995
70 1 12 "Average Difference" CA 81 1.061 -0.199 1.049 17995
71 1 12 "Average Difference" CB 76 1.100 -0.338 1.054 17995
72 1 12 "Average Difference" HN 77 0.616 -0.199 0.586 17995
73 1 13 "Average Difference" N 77 2.767 -0.334 2.765 17995
74 1 13 "Average Difference" HA 85 0.292 0.027 0.292 17995
75 1 13 "Average Difference" C 77 0.946 0.149 0.940 17995
76 1 13 "Average Difference" CA 81 0.978 -0.159 0.971 17995
77 1 13 "Average Difference" CB 76 1.052 -0.283 1.020 17995
78 1 13 "Average Difference" HN 77 0.566 -0.185 0.538 17995
79 1 14 "Average Difference" N 77 2.527 -0.417 2.509 17995
80 1 14 "Average Difference" HA 85 0.283 0.034 0.283 17995
81 1 14 "Average Difference" C 77 0.978 0.160 0.971 17995
82 1 14 "Average Difference" CA 81 1.040 -0.208 1.025 17995
83 1 14 "Average Difference" CB 76 1.013 -0.334 0.963 17995
84 1 14 "Average Difference" HN 77 0.608 -0.223 0.569 17995
85 1 15 "Average Difference" N 77 2.801 -0.482 2.777 17995
86 1 15 "Average Difference" HA 85 0.284 0.032 0.284 17995
87 1 15 "Average Difference" C 77 1.023 0.140 1.020 17995
88 1 15 "Average Difference" CA 81 1.042 -0.190 1.031 17995
89 1 15 "Average Difference" CB 76 1.074 -0.317 1.033 17995
90 1 15 "Average Difference" HN 77 0.591 -0.235 0.546 17995
91 1 16 "Average Difference" N 77 2.923 -0.455 2.907 17995
92 1 16 "Average Difference" HA 85 0.300 0.039 0.300 17995
93 1 16 "Average Difference" C 77 1.013 0.100 1.015 17995
94 1 16 "Average Difference" CA 81 0.962 -0.161 0.954 17995
95 1 16 "Average Difference" CB 76 1.049 -0.369 0.989 17995
96 1 16 "Average Difference" HN 77 0.618 -0.211 0.585 17995
97 1 17 "Average Difference" N 77 2.703 -0.526 2.669 17995
98 1 17 "Average Difference" HA 85 0.291 0.037 0.291 17995
99 1 17 "Average Difference" C 77 0.966 0.166 0.958 17995
100 1 17 "Average Difference" CA 81 1.076 -0.163 1.071 17995
101 1 17 "Average Difference" CB 76 1.062 -0.337 1.014 17995
102 1 17 "Average Difference" HN 77 0.610 -0.205 0.578 17995
103 1 18 "Average Difference" N 77 2.689 -0.216 2.698 17995
104 1 18 "Average Difference" HA 85 0.317 0.042 0.316 17995
105 1 18 "Average Difference" C 77 0.954 0.132 0.951 17995
106 1 18 "Average Difference" CA 81 0.999 -0.112 0.999 17995
107 1 18 "Average Difference" CB 76 1.108 -0.347 1.059 17995
108 1 18 "Average Difference" HN 77 0.599 -0.165 0.580 17995
109 1 19 "Average Difference" N 77 2.871 -0.279 2.876 17995
110 1 19 "Average Difference" HA 85 0.277 0.025 0.278 17995
111 1 19 "Average Difference" C 77 0.945 0.155 0.939 17995
112 1 19 "Average Difference" CA 81 1.019 -0.240 0.996 17995
113 1 19 "Average Difference" CB 76 1.087 -0.338 1.040 17995
114 1 19 "Average Difference" HN 77 0.597 -0.224 0.556 17995
115 1 20 "Average Difference" N 77 2.725 -0.359 2.719 17995
116 1 20 "Average Difference" HA 85 0.291 0.044 0.290 17995
117 1 20 "Average Difference" C 77 0.954 0.127 0.952 17995
118 1 20 "Average Difference" CA 81 0.976 -0.160 0.969 17995
119 1 20 "Average Difference" CB 76 1.091 -0.301 1.056 17995
120 1 20 "Average Difference" HN 77 0.610 -0.195 0.581 17995
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 17995
_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 24 24 GLN N N 2 121.730 121.730 122.215 -0.485 17995
2 1 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.338 -0.376 17995
3 1 . 1 1 24 24 GLN C C 2 177.291 177.291 177.602 -0.311 17995
4 1 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.481 0.910 17995
5 1 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.189 -0.479 17995
6 1 . 1 1 24 24 GLN H H 2 8.511 8.511 9.077 -0.566 17995
7 1 . 1 1 25 25 HIS N N 3 116.878 116.878 120.080 -3.202 17995
8 1 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.639 0.464 17995
9 1 . 1 1 25 25 HIS C C 3 175.501 175.501 177.390 -1.889 17995
10 1 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.883 -1.536 17995
11 1 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.925 0.702 17995
12 1 . 1 1 25 25 HIS H H 3 8.216 8.216 8.343 -0.127 17995
13 1 . 1 1 26 26 LEU N N 4 121.540 121.540 119.207 2.333 17995
14 1 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.118 -0.425 17995
15 1 . 1 1 26 26 LEU C C 4 177.649 177.649 178.305 -0.656 17995
16 1 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.164 1.539 17995
17 1 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.228 1.107 17995
18 1 . 1 1 26 26 LEU H H 4 7.447 7.447 8.111 -0.664 17995
19 1 . 1 1 27 27 GLU N N 5 118.441 118.441 120.142 -1.701 17995
20 1 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.944 -0.053 17995
21 1 . 1 1 27 27 GLU C C 5 178.162 178.162 178.299 -0.137 17995
22 1 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.232 0.390 17995
23 1 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.325 -0.248 17995
24 1 . 1 1 27 27 GLU H H 5 8.561 8.561 7.834 0.727 17995
25 1 . 1 1 28 28 ALA N N 6 122.005 122.005 121.769 0.236 17995
26 1 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.172 -0.040 17995
27 1 . 1 1 28 28 ALA C C 6 180.421 180.421 180.003 0.418 17995
28 1 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.801 0.478 17995
29 1 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.195 0.571 17995
30 1 . 1 1 28 28 ALA H H 6 8.205 8.205 7.843 0.362 17995
31 1 . 1 1 29 29 VAL N N 7 116.985 116.985 119.702 -2.717 17995
32 1 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.693 -0.184 17995
33 1 . 1 1 29 29 VAL C C 7 177.034 177.034 177.688 -0.654 17995
34 1 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.218 0.145 17995
35 1 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.537 -0.098 17995
36 1 . 1 1 29 29 VAL H H 7 8.392 8.392 8.066 0.326 17995
37 1 . 1 1 30 30 ARG N N 8 121.674 121.674 119.122 2.552 17995
38 1 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.030 -0.366 17995
39 1 . 1 1 30 30 ARG C C 8 177.810 177.810 178.454 -0.644 17995
40 1 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.268 1.257 17995
41 1 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.413 1.253 17995
42 1 . 1 1 30 30 ARG H H 8 8.784 8.784 8.299 0.485 17995
43 1 . 1 1 31 31 ASN N N 9 118.102 118.102 118.764 -0.662 17995
44 1 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.522 -0.238 17995
45 1 . 1 1 31 31 ASN C C 9 177.890 177.890 177.326 0.564 17995
46 1 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.104 0.150 17995
47 1 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.262 -0.674 17995
48 1 . 1 1 31 31 ASN H H 9 8.144 8.144 7.912 0.232 17995
49 1 . 1 1 32 32 ILE N N 10 123.614 123.614 120.472 3.142 17995
50 1 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.499 0.293 17995
51 1 . 1 1 32 32 ILE C C 10 177.810 177.810 177.783 0.027 17995
52 1 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.257 0.001 17995
53 1 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.935 0.799 17995
54 1 . 1 1 32 32 ILE H H 10 8.137 8.137 7.717 0.420 17995
55 1 . 1 1 33 33 LEU N N 11 119.797 119.797 119.662 0.135 17995
56 1 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.024 -0.237 17995
57 1 . 1 1 33 33 LEU C C 11 179.039 179.039 179.432 -0.393 17995
58 1 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.179 0.531 17995
59 1 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.315 0.761 17995
60 1 . 1 1 33 33 LEU H H 11 8.637 8.637 8.387 0.250 17995
61 1 . 1 1 34 34 GLY N N 12 103.682 103.682 105.801 -2.119 17995
62 1 . 1 1 34 34 GLY C C 12 175.242 175.242 175.473 -0.231 17995
63 1 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.866 0.852 17995
64 1 . 1 1 34 34 GLY H H 12 8.513 8.513 8.297 0.216 17995
65 1 . 1 1 35 35 ASP N N 13 122.235 122.235 121.745 0.490 17995
66 1 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.577 0.008 17995
67 1 . 1 1 35 35 ASP C C 13 179.013 179.013 178.169 0.844 17995
68 1 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.641 0.275 17995
69 1 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.255 -0.209 17995
70 1 . 1 1 35 35 ASP H H 13 7.968 7.968 7.709 0.259 17995
71 1 . 1 1 36 36 VAL N N 14 120.841 120.841 119.783 1.058 17995
72 1 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.839 -0.162 17995
73 1 . 1 1 36 36 VAL C C 14 177.797 177.797 177.763 0.034 17995
74 1 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.593 0.411 17995
75 1 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.193 0.038 17995
76 1 . 1 1 36 36 VAL H H 14 8.765 8.765 8.070 0.695 17995
77 1 . 1 1 37 37 LEU N N 15 114.630 114.630 115.698 -1.068 17995
78 1 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.345 -0.064 17995
79 1 . 1 1 37 37 LEU C C 15 175.483 175.483 176.391 -0.908 17995
80 1 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.549 -0.379 17995
81 1 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.302 -0.608 17995
82 1 . 1 1 37 37 LEU H H 15 7.942 7.942 7.890 0.052 17995
83 1 . 1 1 38 38 ASN N N 16 116.887 116.887 116.278 0.609 17995
84 1 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.523 0.011 17995
85 1 . 1 1 38 38 ASN C C 16 175.668 175.668 175.144 0.524 17995
86 1 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.826 0.094 17995
87 1 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.550 -0.692 17995
88 1 . 1 1 38 38 ASN H H 16 7.561 7.561 7.890 -0.329 17995
89 1 . 1 1 39 39 LEU N N 17 114.676 114.676 119.284 -4.608 17995
90 1 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.261 -0.191 17995
91 1 . 1 1 39 39 LEU C C 17 178.415 178.415 178.112 0.303 17995
92 1 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.776 -0.032 17995
93 1 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.146 1.130 17995
94 1 . 1 1 39 39 LEU H H 17 8.233 8.233 7.969 0.264 17995
95 1 . 1 1 40 40 GLY N N 18 109.665 109.665 107.562 2.103 17995
96 1 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.803 -0.498 17995
97 1 . 1 1 40 40 GLY H H 18 8.678 8.678 7.929 0.749 17995
98 1 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.296 -0.168 17995
99 1 . 1 1 41 41 GLU C C 19 178.328 178.328 178.115 0.213 17995
100 1 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.955 1.309 17995
101 1 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.846 -0.766 17995
102 1 . 1 1 42 42 ARG N N 20 118.936 118.936 120.948 -2.012 17995
103 1 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.121 0.054 17995
104 1 . 1 1 42 42 ARG C C 20 178.912 178.912 177.646 1.266 17995
105 1 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.651 -0.414 17995
106 1 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.250 -0.194 17995
107 1 . 1 1 42 42 ARG H H 20 7.979 7.979 7.886 0.093 17995
108 1 . 1 1 43 43 LYS N N 21 119.087 119.087 114.923 4.164 17995
109 1 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.121 -0.373 17995
110 1 . 1 1 43 43 LYS C C 21 176.559 176.559 177.866 -1.307 17995
111 1 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.746 0.352 17995
112 1 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.578 0.403 17995
113 1 . 1 1 43 43 LYS H H 21 7.719 7.719 8.206 -0.487 17995
114 1 . 1 1 44 44 HIS N N 22 115.571 115.571 117.784 -2.213 17995
115 1 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.539 -0.111 17995
116 1 . 1 1 44 44 HIS C C 22 176.288 176.288 176.107 0.181 17995
117 1 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.278 -0.494 17995
118 1 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.628 -0.158 17995
119 1 . 1 1 44 44 HIS H H 22 7.124 7.124 7.757 -0.633 17995
120 1 . 1 1 45 45 THR N N 23 107.890 107.890 113.419 -5.529 17995
121 1 . 1 1 45 45 THR HA H 23 4.355 4.355 4.233 0.122 17995
122 1 . 1 1 45 45 THR C C 23 174.650 174.650 174.742 -0.092 17995
123 1 . 1 1 45 45 THR CA C 23 61.627 61.627 62.554 -0.927 17995
124 1 . 1 1 45 45 THR CB C 23 69.475 69.475 69.056 0.419 17995
125 1 . 1 1 45 45 THR H H 23 7.441 7.441 7.644 -0.202 17995
126 1 . 1 1 46 46 LEU N N 24 121.435 121.435 119.391 2.044 17995
127 1 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.807 -0.184 17995
128 1 . 1 1 46 46 LEU C C 24 176.537 176.537 175.472 1.065 17995
129 1 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.434 1.156 17995
130 1 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.173 -0.056 17995
131 1 . 1 1 46 46 LEU H H 24 7.059 7.059 7.283 -0.224 17995
132 1 . 1 1 47 47 THR N N 25 116.104 116.104 112.434 3.670 17995
133 1 . 1 1 47 47 THR HA H 25 4.605 4.605 4.571 0.034 17995
134 1 . 1 1 47 47 THR C C 25 175.526 175.526 175.595 -0.069 17995
135 1 . 1 1 47 47 THR CA C 25 59.878 59.878 59.835 0.043 17995
136 1 . 1 1 47 47 THR CB C 25 71.752 71.752 71.137 0.615 17995
137 1 . 1 1 47 47 THR H H 25 9.432 9.432 7.887 1.545 17995
138 1 . 1 1 48 48 ALA N N 26 122.234 122.234 121.603 0.631 17995
139 1 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.155 -0.346 17995
140 1 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.941 0.651 17995
141 1 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.446 0.208 17995
142 1 . 1 1 48 48 ALA H H 26 9.142 9.142 8.579 0.563 17995
143 1 . 1 1 49 49 SER HA H 27 4.448 4.448 4.371 0.077 17995
144 1 . 1 1 49 49 SER C C 27 174.637 174.637 174.650 -0.013 17995
145 1 . 1 1 49 49 SER CA C 27 58.348 58.348 59.139 -0.790 17995
146 1 . 1 1 49 49 SER CB C 27 63.704 63.704 62.998 0.706 17995
147 1 . 1 1 50 50 SER N N 28 122.032 122.032 118.297 3.735 17995
148 1 . 1 1 50 50 SER HA H 28 4.269 4.269 4.428 -0.159 17995
149 1 . 1 1 50 50 SER C C 28 172.904 172.904 173.763 -0.859 17995
150 1 . 1 1 50 50 SER CA C 28 60.846 60.846 58.324 2.522 17995
151 1 . 1 1 50 50 SER CB C 28 63.063 63.063 63.859 -0.796 17995
152 1 . 1 1 50 50 SER H H 28 8.157 8.157 7.484 0.673 17995
153 1 . 1 1 51 51 VAL N N 29 127.079 127.079 125.884 1.195 17995
154 1 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.188 0.154 17995
155 1 . 1 1 51 51 VAL C C 29 176.612 176.612 175.716 0.896 17995
156 1 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.059 -0.611 17995
157 1 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.433 -0.208 17995
158 1 . 1 1 51 51 VAL H H 29 8.505 8.505 8.591 -0.086 17995
159 1 . 1 1 52 52 LEU N N 30 126.014 126.014 124.452 1.562 17995
160 1 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.626 0.169 17995
161 1 . 1 1 52 52 LEU C C 30 176.569 176.569 177.176 -0.607 17995
162 1 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.479 -0.947 17995
163 1 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.064 -2.060 17995
164 1 . 1 1 52 52 LEU H H 30 7.954 7.954 8.330 -0.376 17995
165 1 . 1 1 53 53 LEU N N 31 122.601 122.601 120.008 2.593 17995
166 1 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.963 0.123 17995
167 1 . 1 1 53 53 LEU C C 31 177.683 177.683 177.857 -0.174 17995
168 1 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.659 0.715 17995
169 1 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.533 0.286 17995
170 1 . 1 1 53 53 LEU H H 31 7.777 7.777 7.771 0.006 17995
171 1 . 1 1 54 54 GLY N N 32 114.941 114.941 114.134 0.807 17995
172 1 . 1 1 54 54 GLY C C 32 173.612 173.612 174.404 -0.792 17995
173 1 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.684 -0.126 17995
174 1 . 1 1 54 54 GLY H H 32 9.121 9.121 8.884 0.237 17995
175 1 . 1 1 55 55 ASN N N 33 117.901 117.901 120.382 -2.481 17995
176 1 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.757 0.173 17995
177 1 . 1 1 55 55 ASN C C 33 174.458 174.458 176.112 -1.654 17995
178 1 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.259 -0.440 17995
179 1 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.518 2.029 17995
180 1 . 1 1 55 55 ASN H H 33 7.789 7.789 7.836 -0.047 17995
181 1 . 1 1 56 56 ILE N N 34 120.163 120.163 122.503 -2.340 17995
182 1 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.389 0.148 17995
183 1 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.035 -0.034 17995
184 1 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.351 1.742 17995
185 1 . 1 1 56 56 ILE H H 34 7.703 7.703 8.009 -0.306 17995
186 1 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.436 -0.263 17995
187 1 . 1 1 57 57 PRO C C 35 177.969 177.969 176.695 1.274 17995
188 1 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.248 1.028 17995
189 1 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.009 -0.075 17995
190 1 . 1 1 58 58 GLU N N 36 116.701 116.701 116.788 -0.087 17995
191 1 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.385 -0.413 17995
192 1 . 1 1 58 58 GLU C C 36 176.612 176.612 175.797 0.815 17995
193 1 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.824 3.523 17995
194 1 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.512 0.320 17995
195 1 . 1 1 58 58 GLU H H 36 9.581 9.581 8.503 1.078 17995
196 1 . 1 1 59 59 LEU N N 37 121.189 121.189 123.932 -2.743 17995
197 1 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.337 -0.025 17995
198 1 . 1 1 59 59 LEU C C 37 173.353 173.353 175.519 -2.166 17995
199 1 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.621 -1.343 17995
200 1 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.887 0.112 17995
201 1 . 1 1 59 59 LEU H H 37 7.560 7.560 7.290 0.269 17995
202 1 . 1 1 60 60 ASP N N 38 126.468 126.468 124.434 2.034 17995
203 1 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.745 -0.030 17995
204 1 . 1 1 60 60 ASP C C 38 175.828 175.828 176.899 -1.071 17995
205 1 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.143 -1.223 17995
206 1 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.705 -2.149 17995
207 1 . 1 1 60 60 ASP H H 38 7.527 7.527 7.697 -0.170 17995
208 1 . 1 1 61 61 SER N N 39 113.128 113.128 115.953 -2.825 17995
209 1 . 1 1 61 61 SER HA H 39 4.019 4.019 4.153 -0.134 17995
210 1 . 1 1 61 61 SER C C 39 175.854 175.854 176.794 -0.940 17995
211 1 . 1 1 61 61 SER CA C 39 61.276 61.276 61.558 -0.282 17995
212 1 . 1 1 61 61 SER CB C 39 65.520 65.520 62.969 2.551 17995
213 1 . 1 1 61 61 SER H H 39 8.623 8.623 8.493 0.130 17995
214 1 . 1 1 62 62 MET N N 40 121.706 121.706 119.124 2.582 17995
215 1 . 1 1 62 62 MET HA H 40 4.303 4.303 4.280 0.023 17995
216 1 . 1 1 62 62 MET C C 40 177.755 177.755 178.093 -0.338 17995
217 1 . 1 1 62 62 MET CA C 40 57.714 57.714 56.585 1.129 17995
218 1 . 1 1 62 62 MET CB C 40 32.386 32.386 31.343 1.043 17995
219 1 . 1 1 62 62 MET H H 40 7.802 7.802 8.259 -0.457 17995
220 1 . 1 1 63 63 ALA N N 41 124.277 124.277 121.969 2.308 17995
221 1 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.129 0.042 17995
222 1 . 1 1 63 63 ALA C C 41 179.893 179.893 179.460 0.433 17995
223 1 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.866 0.235 17995
224 1 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.897 1.759 17995
225 1 . 1 1 63 63 ALA H H 41 8.295 8.295 7.986 0.309 17995
226 1 . 1 1 64 64 VAL N N 42 118.186 118.186 115.751 2.435 17995
227 1 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.417 -0.424 17995
228 1 . 1 1 64 64 VAL C C 42 177.327 177.327 177.397 -0.069 17995
229 1 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.622 1.690 17995
230 1 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.132 0.060 17995
231 1 . 1 1 64 64 VAL H H 42 8.019 8.019 7.637 0.382 17995
232 1 . 1 1 65 65 VAL N N 43 118.361 118.361 121.131 -2.769 17995
233 1 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.480 0.084 17995
234 1 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995
235 1 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.427 0.130 17995
236 1 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.046 0.454 17995
237 1 . 1 1 65 65 VAL H H 43 6.942 6.942 7.372 -0.430 17995
238 1 . 1 1 66 66 ASN N N 44 119.476 119.476 118.401 1.075 17995
239 1 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.480 0.082 17995
240 1 . 1 1 66 66 ASN C C 44 178.760 178.760 178.048 0.712 17995
241 1 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.323 -0.487 17995
242 1 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.363 -0.556 17995
243 1 . 1 1 66 66 ASN H H 44 7.789 7.789 7.971 -0.182 17995
244 1 . 1 1 67 67 VAL N N 45 124.029 124.029 116.792 7.237 17995
245 1 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.910 -0.292 17995
246 1 . 1 1 67 67 VAL C C 45 177.100 177.100 177.821 -0.721 17995
247 1 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.862 1.504 17995
248 1 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.529 -0.069 17995
249 1 . 1 1 67 67 VAL H H 45 9.055 9.055 7.699 1.356 17995
250 1 . 1 1 68 68 ILE N N 46 121.006 121.006 122.253 -1.247 17995
251 1 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.743 0.045 17995
252 1 . 1 1 68 68 ILE C C 46 177.871 177.871 178.025 -0.154 17995
253 1 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.729 -0.467 17995
254 1 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.545 -1.378 17995
255 1 . 1 1 68 68 ILE H H 46 8.509 8.509 7.840 0.669 17995
256 1 . 1 1 69 69 THR N N 47 116.096 116.096 116.282 -0.186 17995
257 1 . 1 1 69 69 THR HA H 47 4.391 4.391 3.956 0.435 17995
258 1 . 1 1 69 69 THR C C 47 176.365 176.365 176.321 0.044 17995
259 1 . 1 1 69 69 THR CA C 47 66.256 66.256 66.992 -0.737 17995
260 1 . 1 1 69 69 THR CB C 47 69.098 69.098 68.472 0.626 17995
261 1 . 1 1 69 69 THR H H 47 8.512 8.512 7.893 0.619 17995
262 1 . 1 1 70 70 ALA N N 48 123.948 123.948 124.302 -0.354 17995
263 1 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.193 0.110 17995
264 1 . 1 1 70 70 ALA C C 48 181.452 181.452 179.672 1.780 17995
265 1 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.262 -0.079 17995
266 1 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.251 1.171 17995
267 1 . 1 1 70 70 ALA H H 48 7.802 7.802 7.922 -0.120 17995
268 1 . 1 1 71 71 LEU N N 49 121.199 121.199 119.455 1.744 17995
269 1 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.180 0.043 17995
270 1 . 1 1 71 71 LEU C C 49 178.192 178.192 179.579 -1.387 17995
271 1 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.280 0.281 17995
272 1 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.927 1.524 17995
273 1 . 1 1 71 71 LEU H H 49 8.802 8.802 8.275 0.527 17995
274 1 . 1 1 72 72 GLU N N 50 119.782 119.782 118.555 1.227 17995
275 1 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.011 -0.521 17995
276 1 . 1 1 72 72 GLU C C 50 180.303 180.303 179.668 0.635 17995
277 1 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.259 0.592 17995
278 1 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.008 2.100 17995
279 1 . 1 1 72 72 GLU H H 50 8.762 8.762 8.102 0.660 17995
280 1 . 1 1 73 73 GLU N N 51 116.902 116.902 119.159 -2.257 17995
281 1 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.099 -0.047 17995
282 1 . 1 1 73 73 GLU C C 51 178.334 178.334 179.019 -0.685 17995
283 1 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.703 -0.085 17995
284 1 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.369 0.713 17995
285 1 . 1 1 73 73 GLU H H 51 7.953 7.953 7.872 0.081 17995
286 1 . 1 1 74 74 TYR N N 52 119.999 119.999 117.445 2.554 17995
287 1 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.312 -0.430 17995
288 1 . 1 1 74 74 TYR C C 52 177.384 177.384 178.080 -0.696 17995
289 1 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.968 0.632 17995
290 1 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.684 0.961 17995
291 1 . 1 1 74 74 TYR H H 52 8.078 8.078 8.059 0.019 17995
292 1 . 1 1 75 75 PHE N N 53 113.650 113.650 115.186 -1.535 17995
293 1 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.447 -0.261 17995
294 1 . 1 1 75 75 PHE C C 53 174.485 174.485 175.426 -0.942 17995
295 1 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.130 0.114 17995
296 1 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.180 0.860 17995
297 1 . 1 1 75 75 PHE H H 53 8.244 8.244 8.124 0.120 17995
298 1 . 1 1 76 76 ASP N N 54 119.712 119.712 117.907 1.805 17995
299 1 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.500 -0.120 17995
300 1 . 1 1 76 76 ASP C C 54 174.118 174.118 175.331 -1.213 17995
301 1 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.501 -0.638 17995
302 1 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.283 -0.127 17995
303 1 . 1 1 76 76 ASP H H 54 7.596 7.596 8.038 -0.442 17995
304 1 . 1 1 77 77 PHE N N 55 113.804 113.804 116.052 -2.248 17995
305 1 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.982 0.093 17995
306 1 . 1 1 77 77 PHE C C 55 174.384 174.384 173.570 0.814 17995
307 1 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.676 -1.240 17995
308 1 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.780 -0.150 17995
309 1 . 1 1 77 77 PHE H H 55 7.725 7.725 7.939 -0.214 17995
310 1 . 1 1 78 78 SER N N 56 114.319 114.319 115.541 -1.222 17995
311 1 . 1 1 78 78 SER HA H 56 5.149 5.149 4.796 0.353 17995
312 1 . 1 1 78 78 SER C C 56 174.100 174.100 173.184 0.916 17995
313 1 . 1 1 78 78 SER CA C 56 56.800 56.800 56.548 0.252 17995
314 1 . 1 1 78 78 SER CB C 56 65.011 65.011 64.179 0.832 17995
315 1 . 1 1 78 78 SER H H 56 8.727 8.727 8.272 0.455 17995
316 1 . 1 1 79 79 VAL N N 57 128.316 128.316 127.678 0.638 17995
317 1 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.896 0.348 17995
318 1 . 1 1 79 79 VAL C C 57 175.637 175.637 175.441 0.196 17995
319 1 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.699 -0.945 17995
320 1 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.014 0.859 17995
321 1 . 1 1 79 79 VAL H H 57 10.222 10.222 8.184 2.038 17995
322 1 . 1 1 80 80 ASP N N 58 130.058 130.058 126.982 3.076 17995
323 1 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.546 0.300 17995
324 1 . 1 1 80 80 ASP C C 58 177.205 177.205 176.879 0.326 17995
325 1 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.271 -0.795 17995
326 1 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.377 -0.712 17995
327 1 . 1 1 80 80 ASP H H 58 9.396 9.396 8.209 1.187 17995
328 1 . 1 1 81 81 ASP N N 59 122.564 122.564 124.007 -1.443 17995
329 1 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.370 -0.090 17995
330 1 . 1 1 81 81 ASP C C 59 177.291 177.291 177.267 0.024 17995
331 1 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.826 0.634 17995
332 1 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.082 -0.352 17995
333 1 . 1 1 81 81 ASP H H 59 8.696 8.696 8.764 -0.069 17995
334 1 . 1 1 82 82 ASP N N 60 115.817 115.817 118.416 -2.599 17995
335 1 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.518 0.041 17995
336 1 . 1 1 82 82 ASP C C 60 176.939 176.939 177.291 -0.352 17995
337 1 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.072 -1.211 17995
338 1 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.145 -0.730 17995
339 1 . 1 1 82 82 ASP H H 60 8.460 8.460 8.065 0.395 17995
340 1 . 1 1 83 83 GLU N N 61 118.478 118.478 116.982 1.496 17995
341 1 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.438 -0.137 17995
342 1 . 1 1 83 83 GLU C C 61 175.841 175.841 176.607 -0.766 17995
343 1 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.530 0.774 17995
344 1 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.624 0.867 17995
345 1 . 1 1 83 83 GLU H H 61 7.903 7.903 7.715 0.188 17995
346 1 . 1 1 84 84 ILE N N 62 117.759 117.759 122.231 -4.472 17995
347 1 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.864 0.301 17995
348 1 . 1 1 84 84 ILE C C 62 174.069 174.069 175.138 -1.069 17995
349 1 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.053 -2.559 17995
350 1 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.342 1.793 17995
351 1 . 1 1 84 84 ILE H H 62 7.396 7.396 7.358 0.038 17995
352 1 . 1 1 85 85 SER N N 63 119.980 119.980 121.820 -1.840 17995
353 1 . 1 1 85 85 SER HA H 63 4.789 4.789 4.720 0.069 17995
354 1 . 1 1 85 85 SER CA C 63 56.772 56.772 56.528 0.244 17995
355 1 . 1 1 85 85 SER CB C 63 66.916 66.916 65.941 0.975 17995
356 1 . 1 1 85 85 SER H H 63 8.384 8.384 8.209 0.175 17995
357 1 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.300 -0.273 17995
358 1 . 1 1 86 86 ALA C C 64 180.211 180.211 179.470 0.741 17995
359 1 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.756 0.745 17995
360 1 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.669 -0.659 17995
361 1 . 1 1 87 87 GLN N N 65 116.123 116.123 115.106 1.017 17995
362 1 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.241 -0.176 17995
363 1 . 1 1 87 87 GLN C C 65 178.564 178.564 177.346 1.218 17995
364 1 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.460 1.279 17995
365 1 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.915 0.528 17995
366 1 . 1 1 87 87 GLN H H 65 7.990 7.990 8.062 -0.072 17995
367 1 . 1 1 88 88 THR N N 66 119.153 119.153 115.307 3.846 17995
368 1 . 1 1 88 88 THR HA H 66 3.631 3.631 3.979 -0.348 17995
369 1 . 1 1 88 88 THR C C 66 174.748 174.748 174.798 -0.050 17995
370 1 . 1 1 88 88 THR CA C 66 66.591 66.591 65.418 1.173 17995
371 1 . 1 1 88 88 THR CB C 66 68.702 68.702 68.702 0.000 17995
372 1 . 1 1 88 88 THR H H 66 7.738 7.738 7.409 0.329 17995
373 1 . 1 1 89 89 PHE N N 67 115.088 115.088 117.152 -2.064 17995
374 1 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.656 -0.419 17995
375 1 . 1 1 89 89 PHE C C 67 173.600 173.600 176.531 -2.931 17995
376 1 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.538 -0.016 17995
377 1 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.691 1.015 17995
378 1 . 1 1 89 89 PHE H H 67 7.180 7.180 7.557 -0.377 17995
379 1 . 1 1 90 90 GLU N N 68 122.222 122.222 119.635 2.587 17995
380 1 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.102 0.065 17995
381 1 . 1 1 90 90 GLU C C 68 178.581 178.581 176.755 1.826 17995
382 1 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.373 1.354 17995
383 1 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.844 0.905 17995
384 1 . 1 1 90 90 GLU H H 68 7.421 7.421 7.976 -0.555 17995
385 1 . 1 1 91 91 THR N N 69 106.383 106.383 109.499 -3.117 17995
386 1 . 1 1 91 91 THR HA H 69 5.477 5.477 4.823 0.654 17995
387 1 . 1 1 91 91 THR C C 69 174.775 174.775 174.226 0.549 17995
388 1 . 1 1 91 91 THR CA C 69 58.798 58.798 59.638 -0.841 17995
389 1 . 1 1 91 91 THR CB C 69 74.841 74.841 72.239 2.602 17995
390 1 . 1 1 91 91 THR H H 69 8.534 8.534 7.310 1.224 17995
391 1 . 1 1 92 92 LEU N N 70 120.326 120.326 123.726 -3.400 17995
392 1 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.116 0.027 17995
393 1 . 1 1 92 92 LEU C C 70 178.174 178.174 178.025 0.149 17995
394 1 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.441 0.825 17995
395 1 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.145 -1.275 17995
396 1 . 1 1 92 92 LEU H H 70 7.991 7.991 8.597 -0.606 17995
397 1 . 1 1 93 93 GLY N N 71 106.588 106.588 105.181 1.407 17995
398 1 . 1 1 93 93 GLY C C 71 175.300 175.300 176.053 -0.753 17995
399 1 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.451 -0.114 17995
400 1 . 1 1 93 93 GLY H H 71 9.019 9.019 8.347 0.672 17995
401 1 . 1 1 94 94 SER N N 72 120.200 120.200 118.518 1.682 17995
402 1 . 1 1 94 94 SER HA H 72 4.090 4.090 4.259 -0.169 17995
403 1 . 1 1 94 94 SER C C 72 177.631 177.631 176.584 1.047 17995
404 1 . 1 1 94 94 SER CA C 72 62.329 62.329 61.990 0.339 17995
405 1 . 1 1 94 94 SER H H 72 8.709 8.709 7.413 1.296 17995
406 1 . 1 1 95 95 LEU N N 73 129.169 129.169 121.519 7.650 17995
407 1 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.932 0.308 17995
408 1 . 1 1 95 95 LEU C C 73 176.439 176.439 178.980 -2.541 17995
409 1 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.204 0.598 17995
410 1 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.225 1.634 17995
411 1 . 1 1 95 95 LEU H H 73 7.800 7.800 7.432 0.368 17995
412 1 . 1 1 96 96 ALA N N 74 121.721 121.721 122.311 -0.590 17995
413 1 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.972 0.017 17995
414 1 . 1 1 96 96 ALA C C 74 180.456 180.456 179.829 0.627 17995
415 1 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.235 0.467 17995
416 1 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.358 -0.642 17995
417 1 . 1 1 96 96 ALA H H 74 8.612 8.612 8.102 0.510 17995
418 1 . 1 1 97 97 LEU N N 75 122.095 122.095 119.165 2.930 17995
419 1 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.927 0.130 17995
420 1 . 1 1 97 97 LEU C C 75 178.805 178.805 179.157 -0.352 17995
421 1 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.591 0.178 17995
422 1 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.456 1.366 17995
423 1 . 1 1 97 97 LEU H H 75 8.777 8.777 7.921 0.856 17995
424 1 . 1 1 98 98 PHE N N 76 122.741 122.741 118.012 4.729 17995
425 1 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.020 0.242 17995
426 1 . 1 1 98 98 PHE C C 76 176.878 176.878 178.470 -1.592 17995
427 1 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.335 -1.103 17995
428 1 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.442 0.107 17995
429 1 . 1 1 98 98 PHE H H 76 7.889 7.889 8.019 -0.131 17995
430 1 . 1 1 99 99 VAL N N 77 119.641 119.641 115.287 4.354 17995
431 1 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.529 -0.751 17995
432 1 . 1 1 99 99 VAL C C 77 176.414 176.414 177.661 -1.247 17995
433 1 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.969 0.999 17995
434 1 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.968 0.218 17995
435 1 . 1 1 99 99 VAL H H 77 7.599 7.599 8.187 -0.588 17995
436 1 . 1 1 100 100 GLU N N 78 118.850 118.850 121.666 -2.816 17995
437 1 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.202 -0.429 17995
438 1 . 1 1 100 100 GLU C C 78 179.007 179.007 179.113 -0.106 17995
439 1 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.336 0.204 17995
440 1 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.032 0.746 17995
441 1 . 1 1 100 100 GLU H H 78 7.740 7.740 8.106 -0.366 17995
442 1 . 1 1 101 101 HIS N N 79 120.328 120.328 117.620 2.708 17995
443 1 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.298 -0.097 17995
444 1 . 1 1 101 101 HIS C C 79 178.242 178.242 177.705 0.537 17995
445 1 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.563 0.675 17995
446 1 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.910 0.028 17995
447 1 . 1 1 101 101 HIS H H 79 8.354 8.354 7.821 0.533 17995
448 1 . 1 1 102 102 LYS N N 80 121.044 121.044 118.986 2.057 17995
449 1 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.219 -0.652 17995
450 1 . 1 1 102 102 LYS C C 80 179.199 179.199 178.910 0.289 17995
451 1 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.395 -1.408 17995
452 1 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.113 -1.937 17995
453 1 . 1 1 102 102 LYS H H 80 7.908 7.908 7.863 0.045 17995
454 1 . 1 1 103 103 LEU N N 81 118.698 118.698 118.511 0.187 17995
455 1 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.335 -0.177 17995
456 1 . 1 1 103 103 LEU C C 81 178.593 178.593 178.517 0.076 17995
457 1 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.992 0.404 17995
458 1 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.764 1.545 17995
459 1 . 1 1 103 103 LEU H H 81 7.784 7.784 7.875 -0.091 17995
460 1 . 1 1 104 104 SER N N 82 114.826 114.826 113.155 1.671 17995
461 1 . 1 1 104 104 SER HA H 82 4.358 4.358 4.431 -0.073 17995
462 1 . 1 1 104 104 SER C C 82 174.810 174.810 174.457 0.353 17995
463 1 . 1 1 104 104 SER CA C 82 59.567 59.567 59.618 -0.051 17995
464 1 . 1 1 104 104 SER CB C 82 63.859 63.859 63.792 0.067 17995
465 1 . 1 1 104 104 SER H H 82 7.738 7.738 7.874 -0.136 17995
stop_
save_