data_19789
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19789
_Entry.PDB_ID 2MKP
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 19789
_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 3 3 ASP N N 3 122.928 122.928 121.618 1.310 19789
2 1 1 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.400 0.066 19789
3 1 1 . 1 1 3 3 ASP H H 3 8.538 8.538 8.562 -0.024 19789
4 1 1 . 1 1 4 4 ILE N N 4 119.305 119.305 119.841 -0.536 19789
5 1 1 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.857 0.054 19789
6 1 1 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.135 0.690 19789
7 1 1 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.089 -0.448 19789
8 1 1 . 1 1 4 4 ILE H H 4 8.236 8.236 8.276 -0.040 19789
9 1 1 . 1 1 5 5 TYR N N 5 120.903 120.903 116.957 3.946 19789
10 1 1 . 1 1 5 5 TYR H H 5 7.618 7.618 6.895 0.723 19789
11 1 1 . 1 1 6 6 LYS N N 6 120.946 120.946 121.253 -0.307 19789
12 1 1 . 1 1 6 6 LYS H H 6 7.894 7.894 7.758 0.136 19789
13 1 1 . 1 1 7 7 ALA N N 7 120.284 120.284 120.656 -0.372 19789
14 1 1 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.356 -0.353 19789
15 1 1 . 1 1 7 7 ALA H H 7 7.934 7.934 7.372 0.562 19789
16 1 1 . 1 1 8 8 ALA N N 8 119.988 119.988 121.612 -1.624 19789
17 1 1 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.310 0.090 19789
18 1 1 . 1 1 8 8 ALA H H 8 7.501 7.501 7.558 -0.057 19789
19 1 1 . 1 1 9 9 VAL N N 9 119.175 119.175 119.429 -0.254 19789
20 1 1 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.812 -0.252 19789
21 1 1 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.525 0.851 19789
22 1 1 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.462 0.294 19789
23 1 1 . 1 1 9 9 VAL H H 9 8.077 8.077 7.986 0.091 19789
24 1 1 . 1 1 10 10 GLU N N 10 118.387 118.387 117.504 0.883 19789
25 1 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.097 0.020 19789
26 1 1 . 1 1 10 10 GLU H H 10 7.802 7.802 7.711 0.091 19789
27 1 1 . 1 1 11 11 GLN N N 11 114.922 114.922 117.744 -2.822 19789
28 1 1 . 1 1 11 11 GLN H H 11 7.377 7.377 7.573 -0.196 19789
29 1 1 . 1 1 12 12 LEU N N 12 120.676 120.676 120.886 -0.210 19789
30 1 1 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.531 -0.012 19789
31 1 1 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.872 1.331 19789
32 1 1 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.829 -1.735 19789
33 1 1 . 1 1 12 12 LEU H H 12 7.388 7.388 7.342 0.046 19789
34 1 1 . 1 1 13 13 THR N N 13 113.723 113.723 113.860 -0.137 19789
35 1 1 . 1 1 13 13 THR HA H 13 4.438 4.438 4.616 -0.178 19789
36 1 1 . 1 1 13 13 THR CA C 13 60.944 60.944 60.167 0.777 19789
37 1 1 . 1 1 13 13 THR H H 13 8.875 8.875 8.161 0.714 19789
38 1 1 . 1 1 14 14 GLU N N 14 121.739 121.739 121.714 0.025 19789
39 1 1 . 1 1 14 14 GLU H H 14 9.003 9.003 8.993 0.010 19789
40 1 1 . 1 1 15 15 GLU N N 15 117.808 117.808 119.059 -1.251 19789
41 1 1 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.047 0.031 19789
42 1 1 . 1 1 15 15 GLU H H 15 8.538 8.538 7.693 0.845 19789
43 1 1 . 1 1 16 16 GLN N N 16 119.080 119.080 117.815 1.265 19789
44 1 1 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.952 -0.045 19789
45 1 1 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.689 1.333 19789
46 1 1 . 1 1 16 16 GLN H H 16 7.875 7.875 7.902 -0.027 19789
47 1 1 . 1 1 17 17 LYS N N 17 118.934 118.934 120.716 -1.782 19789
48 1 1 . 1 1 17 17 LYS H H 17 8.650 8.650 7.790 0.860 19789
49 1 1 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.351 0.206 19789
50 1 1 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.867 0.174 19789
51 1 1 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.061 -0.213 19789
52 1 1 . 1 1 19 19 GLU N N 19 123.449 123.449 119.232 4.217 19789
53 1 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.115 0.067 19789
54 1 1 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.873 1.284 19789
55 1 1 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.833 -0.448 19789
56 1 1 . 1 1 19 19 GLU H H 19 8.131 8.131 8.083 0.048 19789
57 1 1 . 1 1 20 20 PHE N N 20 117.873 117.873 119.281 -1.408 19789
58 1 1 . 1 1 20 20 PHE H H 20 8.645 8.645 7.789 0.856 19789
59 1 1 . 1 1 21 21 LYS N N 21 122.555 122.555 118.977 3.578 19789
60 1 1 . 1 1 21 21 LYS H H 21 8.781 8.781 8.538 0.243 19789
61 1 1 . 1 1 22 22 ALA N N 22 121.657 121.657 121.428 0.229 19789
62 1 1 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.961 -0.278 19789
63 1 1 . 1 1 22 22 ALA H H 22 7.844 7.844 7.496 0.348 19789
64 1 1 . 1 1 23 23 ALA N N 23 119.044 119.044 122.035 -2.991 19789
65 1 1 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.349 0.090 19789
66 1 1 . 1 1 23 23 ALA H H 23 8.141 8.141 7.825 0.316 19789
67 1 1 . 1 1 24 24 PHE N N 24 121.051 121.051 116.728 4.323 19789
68 1 1 . 1 1 24 24 PHE H H 24 8.942 8.942 8.529 0.413 19789
69 1 1 . 1 1 25 25 ASP N N 25 116.425 116.425 117.731 -1.306 19789
70 1 1 . 1 1 25 25 ASP H H 25 8.546 8.546 7.439 1.107 19789
71 1 1 . 1 1 26 26 ILE N N 26 119.584 119.584 120.226 -0.642 19789
72 1 1 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.776 -0.043 19789
73 1 1 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.062 -0.201 19789
74 1 1 . 1 1 26 26 ILE H H 26 7.314 7.314 7.532 -0.218 19789
75 1 1 . 1 1 27 27 PHE N N 27 120.837 120.837 118.671 2.166 19789
76 1 1 . 1 1 27 27 PHE H H 27 8.103 8.103 8.589 -0.486 19789
77 1 1 . 1 1 28 28 VAL N N 28 107.855 107.855 116.890 -9.035 19789
78 1 1 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.705 -0.706 19789
79 1 1 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.551 1.203 19789
80 1 1 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.970 -1.461 19789
81 1 1 . 1 1 28 28 VAL H H 28 7.555 7.555 7.859 -0.304 19789
82 1 1 . 1 1 29 29 LEU N N 29 125.187 125.187 125.024 0.163 19789
83 1 1 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.562 0.841 19789
84 1 1 . 1 1 29 29 LEU H H 29 7.229 7.229 7.453 -0.224 19789
85 1 1 . 1 1 30 30 GLY N N 30 111.816 111.816 112.743 -0.927 19789
86 1 1 . 1 1 30 30 GLY H H 30 8.799 8.799 8.043 0.756 19789
87 1 1 . 1 1 31 31 ALA N N 31 124.151 124.151 121.939 2.212 19789
88 1 1 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.957 -0.184 19789
89 1 1 . 1 1 31 31 ALA H H 31 7.946 7.946 7.699 0.247 19789
90 1 1 . 1 1 32 32 GLU N N 32 124.621 124.621 120.318 4.303 19789
91 1 1 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.238 -0.153 19789
92 1 1 . 1 1 32 32 GLU H H 32 9.102 9.102 8.608 0.494 19789
93 1 1 . 1 1 33 33 ASP N N 33 115.935 115.935 117.857 -1.922 19789
94 1 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.713 0.021 19789
95 1 1 . 1 1 33 33 ASP H H 33 8.199 8.199 8.387 -0.188 19789
96 1 1 . 1 1 34 34 GLY N N 34 105.713 105.713 109.002 -3.289 19789
97 1 1 . 1 1 34 34 GLY H H 34 7.653 7.653 8.338 -0.685 19789
98 1 1 . 1 1 35 35 CYS N N 35 113.447 113.447 117.022 -3.575 19789
99 1 1 . 1 1 35 35 CYS H H 35 7.621 7.621 7.681 -0.060 19789
100 1 1 . 1 1 36 36 ILE N N 36 119.384 119.384 116.499 2.885 19789
101 1 1 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.387 -0.521 19789
102 1 1 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.105 -1.641 19789
103 1 1 . 1 1 36 36 ILE H H 36 8.793 8.793 7.940 0.853 19789
104 1 1 . 1 1 37 37 SER N N 37 125.951 125.951 120.254 5.697 19789
105 1 1 . 1 1 37 37 SER H H 37 9.421 9.421 8.787 0.634 19789
106 1 1 . 1 1 38 38 THR N N 38 112.286 112.286 114.623 -2.337 19789
107 1 1 . 1 1 38 38 THR HA H 38 3.726 3.726 3.775 -0.049 19789
108 1 1 . 1 1 38 38 THR CA C 38 66.708 66.708 65.306 1.402 19789
109 1 1 . 1 1 38 38 THR H H 38 8.816 8.816 8.064 0.752 19789
110 1 1 . 1 1 39 39 LYS N N 39 122.672 122.672 122.236 0.436 19789
111 1 1 . 1 1 39 39 LYS H H 39 8.016 8.016 8.564 -0.548 19789
112 1 1 . 1 1 40 40 GLU N N 40 119.098 119.098 116.661 2.437 19789
113 1 1 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.284 -0.100 19789
114 1 1 . 1 1 40 40 GLU H H 40 7.705 7.705 8.487 -0.782 19789
115 1 1 . 1 1 41 41 LEU N N 41 119.205 119.205 121.039 -1.834 19789
116 1 1 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.054 0.056 19789
117 1 1 . 1 1 41 41 LEU CA C 41 57.688 57.688 58.459 -0.771 19789
118 1 1 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.672 0.838 19789
119 1 1 . 1 1 41 41 LEU H H 41 8.356 8.356 8.011 0.345 19789
120 1 1 . 1 1 42 42 GLY N N 42 105.741 105.741 106.283 -0.542 19789
121 1 1 . 1 1 42 42 GLY H H 42 8.422 8.422 8.461 -0.039 19789
122 1 1 . 1 1 43 43 LYS N N 43 120.666 120.666 121.454 -0.788 19789
123 1 1 . 1 1 43 43 LYS H H 43 7.265 7.265 7.461 -0.196 19789
124 1 1 . 1 1 44 44 VAL N N 44 119.328 119.328 116.330 2.998 19789
125 1 1 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.989 -0.533 19789
126 1 1 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.339 1.048 19789
127 1 1 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.317 0.319 19789
128 1 1 . 1 1 44 44 VAL H H 44 7.488 7.488 8.409 -0.921 19789
129 1 1 . 1 1 45 45 MET N N 45 116.122 116.122 120.363 -4.241 19789
130 1 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.022 0.149 19789
131 1 1 . 1 1 45 45 MET H H 45 8.357 8.357 7.523 0.834 19789
132 1 1 . 1 1 46 46 ARG N N 46 118.799 118.799 119.092 -0.293 19789
133 1 1 . 1 1 46 46 ARG H H 46 8.115 8.115 7.682 0.433 19789
134 1 1 . 1 1 47 47 MET N N 47 122.183 122.183 116.135 6.048 19789
135 1 1 . 1 1 47 47 MET HA H 47 4.233 4.233 4.275 -0.042 19789
136 1 1 . 1 1 47 47 MET H H 47 7.866 7.866 7.824 0.042 19789
137 1 1 . 1 1 48 48 LEU N N 48 117.213 117.213 119.190 -1.977 19789
138 1 1 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.246 0.111 19789
139 1 1 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.777 -1.099 19789
140 1 1 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.845 -1.218 19789
141 1 1 . 1 1 48 48 LEU H H 48 7.499 7.499 7.707 -0.208 19789
142 1 1 . 1 1 49 49 GLY N N 49 107.154 107.154 105.511 1.643 19789
143 1 1 . 1 1 49 49 GLY H H 49 7.841 7.841 7.784 0.057 19789
144 1 1 . 1 1 50 50 GLN N N 50 118.411 118.411 119.331 -0.920 19789
145 1 1 . 1 1 50 50 GLN H H 50 8.014 8.014 7.898 0.116 19789
146 1 1 . 1 1 51 51 ASN N N 51 116.615 116.615 117.232 -0.617 19789
147 1 1 . 1 1 51 51 ASN H H 51 8.716 8.716 8.663 0.053 19789
148 1 1 . 1 1 53 53 THR N N 53 113.821 113.821 113.723 0.098 19789
149 1 1 . 1 1 53 53 THR H H 53 8.801 8.801 8.388 0.413 19789
150 1 1 . 1 1 55 55 GLU N N 55 117.313 117.313 118.081 -0.768 19789
151 1 1 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.228 -0.206 19789
152 1 1 . 1 1 55 55 GLU H H 55 8.751 8.751 8.368 0.383 19789
153 1 1 . 1 1 56 56 GLU N N 56 121.618 121.618 120.677 0.941 19789
154 1 1 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.420 -0.422 19789
155 1 1 . 1 1 56 56 GLU H H 56 7.803 7.803 7.628 0.175 19789
156 1 1 . 1 1 57 57 LEU N N 57 119.131 119.131 121.252 -2.121 19789
157 1 1 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.781 0.267 19789
158 1 1 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.321 -0.474 19789
159 1 1 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.733 0.909 19789
160 1 1 . 1 1 57 57 LEU H H 57 8.179 8.179 8.560 -0.381 19789
161 1 1 . 1 1 58 58 GLN N N 58 117.777 117.777 118.246 -0.469 19789
162 1 1 . 1 1 58 58 GLN H H 58 7.945 7.945 8.138 -0.193 19789
163 1 1 . 1 1 59 59 GLU N N 59 119.087 119.087 120.021 -0.934 19789
164 1 1 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.947 0.100 19789
165 1 1 . 1 1 59 59 GLU H H 59 7.887 7.887 8.822 -0.935 19789
166 1 1 . 1 1 60 60 MET N N 60 117.618 117.618 114.496 3.122 19789
167 1 1 . 1 1 60 60 MET HA H 60 3.921 3.921 4.213 -0.292 19789
168 1 1 . 1 1 60 60 MET H H 60 7.702 7.702 8.050 -0.348 19789
169 1 1 . 1 1 61 61 ILE N N 61 118.070 118.070 117.307 0.763 19789
170 1 1 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.869 -0.522 19789
171 1 1 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.496 2.361 19789
172 1 1 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.807 -2.393 19789
173 1 1 . 1 1 61 61 ILE H H 61 7.358 7.358 7.534 -0.176 19789
174 1 1 . 1 1 62 62 ASP N N 62 119.384 119.384 121.356 -1.972 19789
175 1 1 . 1 1 62 62 ASP H H 62 8.683 8.683 8.753 -0.070 19789
176 1 1 . 1 1 63 63 GLU N N 63 115.866 115.866 118.795 -2.929 19789
177 1 1 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.137 -0.107 19789
178 1 1 . 1 1 63 63 GLU H H 63 7.612 7.612 7.895 -0.283 19789
179 1 1 . 1 1 64 64 VAL N N 64 107.501 107.501 117.641 -10.140 19789
180 1 1 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.203 0.342 19789
181 1 1 . 1 1 64 64 VAL CA C 64 61.051 61.051 61.219 -0.168 19789
182 1 1 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.779 -0.397 19789
183 1 1 . 1 1 64 64 VAL H H 64 7.239 7.239 7.229 0.010 19789
184 1 1 . 1 1 65 65 ASP N N 65 121.745 121.745 122.909 -1.164 19789
185 1 1 . 1 1 65 65 ASP H H 65 7.584 7.584 7.635 -0.051 19789
186 1 1 . 1 1 66 66 GLU N N 66 128.227 128.227 122.787 5.440 19789
187 1 1 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.349 -0.163 19789
188 1 1 . 1 1 66 66 GLU H H 66 8.633 8.633 8.432 0.201 19789
189 1 1 . 1 1 67 67 ASP N N 67 114.509 114.509 117.724 -3.215 19789
190 1 1 . 1 1 67 67 ASP H H 67 7.967 7.967 8.439 -0.472 19789
191 1 1 . 1 1 68 68 GLY N N 68 108.897 108.897 109.268 -0.371 19789
192 1 1 . 1 1 68 68 GLY H H 68 7.765 7.765 8.903 -1.138 19789
193 1 1 . 1 1 69 69 SER N N 69 116.480 116.480 116.377 0.103 19789
194 1 1 . 1 1 69 69 SER H H 69 8.452 8.452 9.074 -0.622 19789
195 1 1 . 1 1 70 70 GLY N N 70 116.525 116.525 109.243 7.282 19789
196 1 1 . 1 1 70 70 GLY H H 70 10.847 10.847 8.292 2.555 19789
197 1 1 . 1 1 71 71 THR N N 71 107.688 107.688 115.297 -7.609 19789
198 1 1 . 1 1 71 71 THR HA H 71 4.914 4.914 4.667 0.247 19789
199 1 1 . 1 1 71 71 THR CA C 71 58.346 58.346 60.684 -2.338 19789
200 1 1 . 1 1 71 71 THR CB C 71 73.760 73.760 71.551 2.209 19789
201 1 1 . 1 1 71 71 THR H H 71 7.664 7.664 7.504 0.160 19789
202 1 1 . 1 1 72 72 VAL N N 72 126.813 126.813 122.552 4.261 19789
203 1 1 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.514 0.571 19789
204 1 1 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.733 -0.153 19789
205 1 1 . 1 1 72 72 VAL H H 72 9.792 9.792 7.797 1.995 19789
206 1 1 . 1 1 73 73 ASP N N 73 128.665 128.665 120.670 7.995 19789
207 1 1 . 1 1 73 73 ASP H H 73 8.746 8.746 8.062 0.684 19789
208 1 1 . 1 1 74 74 PHE N N 74 118.267 118.267 117.885 0.382 19789
209 1 1 . 1 1 74 74 PHE H H 74 8.577 8.577 9.095 -0.518 19789
210 1 1 . 1 1 75 75 ASP N N 75 117.261 117.261 118.791 -1.530 19789
211 1 1 . 1 1 75 75 ASP H H 75 7.654 7.654 7.563 0.091 19789
212 1 1 . 1 1 76 76 GLU N N 76 120.396 120.396 121.221 -0.825 19789
213 1 1 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.088 -0.061 19789
214 1 1 . 1 1 76 76 GLU H H 76 8.169 8.169 7.688 0.481 19789
215 1 1 . 1 1 77 77 PHE N N 77 122.823 122.823 120.859 1.964 19789
216 1 1 . 1 1 77 77 PHE H H 77 8.984 8.984 8.812 0.172 19789
217 1 1 . 1 1 78 78 LEU N N 78 118.595 118.595 119.689 -1.094 19789
218 1 1 . 1 1 78 78 LEU HA H 78 3.287 3.287 4.282 -0.995 19789
219 1 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.458 -0.343 19789
220 1 1 . 1 1 78 78 LEU CB C 78 41.353 41.353 42.109 -0.756 19789
221 1 1 . 1 1 78 78 LEU H H 78 7.950 7.950 7.846 0.104 19789
222 1 1 . 1 1 79 79 VAL N N 79 118.101 118.101 118.041 0.060 19789
223 1 1 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.665 -0.417 19789
224 1 1 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.599 0.301 19789
225 1 1 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.770 -0.871 19789
226 1 1 . 1 1 79 79 VAL H H 79 6.947 6.947 7.688 -0.741 19789
227 1 1 . 1 1 80 80 MET N N 80 119.853 119.853 117.530 2.323 19789
228 1 1 . 1 1 80 80 MET H H 80 7.952 7.952 8.127 -0.175 19789
229 1 1 . 1 1 81 81 MET N N 81 117.448 117.448 116.402 1.046 19789
230 1 1 . 1 1 81 81 MET H H 81 8.110 8.110 7.804 0.306 19789
231 1 1 . 1 1 82 82 VAL N N 82 117.627 117.627 121.605 -3.978 19789
232 1 1 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.760 0.202 19789
233 1 1 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.239 -0.172 19789
234 1 1 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.989 -0.847 19789
235 1 1 . 1 1 82 82 VAL H H 82 8.183 8.183 7.661 0.522 19789
236 1 1 . 1 1 83 83 ARG N N 83 120.495 120.495 120.028 0.467 19789
237 1 1 . 1 1 83 83 ARG H H 83 8.169 8.169 8.093 0.076 19789
238 1 1 . 1 1 84 84 CYS N N 84 113.519 113.519 116.471 -2.952 19789
239 1 1 . 1 1 84 84 CYS H H 84 7.507 7.507 7.591 -0.084 19789
240 1 1 . 1 1 85 85 MET N N 85 120.618 120.618 121.185 -0.567 19789
241 1 1 . 1 1 85 85 MET H H 85 7.661 7.661 7.586 0.075 19789
242 1 1 . 1 1 86 86 LYS N N 86 120.147 120.147 118.116 2.031 19789
243 1 1 . 1 1 86 86 LYS H H 86 7.779 7.779 8.140 -0.361 19789
244 1 2 . 1 1 3 3 ASP N N 3 122.928 122.928 119.540 3.388 19789
245 1 2 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.418 0.048 19789
246 1 2 . 1 1 3 3 ASP H H 3 8.538 8.538 8.398 0.140 19789
247 1 2 . 1 1 4 4 ILE N N 4 119.305 119.305 120.349 -1.044 19789
248 1 2 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.808 0.103 19789
249 1 2 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.025 0.800 19789
250 1 2 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.937 -0.296 19789
251 1 2 . 1 1 4 4 ILE H H 4 8.236 8.236 8.364 -0.128 19789
252 1 2 . 1 1 5 5 TYR N N 5 120.903 120.903 117.236 3.667 19789
253 1 2 . 1 1 5 5 TYR H H 5 7.618 7.618 6.945 0.673 19789
254 1 2 . 1 1 6 6 LYS N N 6 120.946 120.946 121.388 -0.442 19789
255 1 2 . 1 1 6 6 LYS H H 6 7.894 7.894 7.708 0.186 19789
256 1 2 . 1 1 7 7 ALA N N 7 120.284 120.284 120.180 0.104 19789
257 1 2 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.264 -0.261 19789
258 1 2 . 1 1 7 7 ALA H H 7 7.934 7.934 7.333 0.601 19789
259 1 2 . 1 1 8 8 ALA N N 8 119.988 119.988 121.828 -1.840 19789
260 1 2 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.322 0.078 19789
261 1 2 . 1 1 8 8 ALA H H 8 7.501 7.501 7.577 -0.076 19789
262 1 2 . 1 1 9 9 VAL N N 9 119.175 119.175 118.373 0.802 19789
263 1 2 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.612 -0.052 19789
264 1 2 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.075 0.301 19789
265 1 2 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.738 0.018 19789
266 1 2 . 1 1 9 9 VAL H H 9 8.077 8.077 7.892 0.185 19789
267 1 2 . 1 1 10 10 GLU N N 10 118.387 118.387 117.461 0.926 19789
268 1 2 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.036 0.081 19789
269 1 2 . 1 1 10 10 GLU H H 10 7.802 7.802 7.564 0.238 19789
270 1 2 . 1 1 11 11 GLN N N 11 114.922 114.922 118.350 -3.428 19789
271 1 2 . 1 1 11 11 GLN H H 11 7.377 7.377 7.436 -0.059 19789
272 1 2 . 1 1 12 12 LEU N N 12 120.676 120.676 120.440 0.236 19789
273 1 2 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.567 -0.048 19789
274 1 2 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.998 1.204 19789
275 1 2 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.297 -1.202 19789
276 1 2 . 1 1 12 12 LEU H H 12 7.388 7.388 7.290 0.098 19789
277 1 2 . 1 1 13 13 THR N N 13 113.723 113.723 112.608 1.115 19789
278 1 2 . 1 1 13 13 THR HA H 13 4.438 4.438 4.558 -0.120 19789
279 1 2 . 1 1 13 13 THR CA C 13 60.944 60.944 60.422 0.522 19789
280 1 2 . 1 1 13 13 THR H H 13 8.875 8.875 8.236 0.639 19789
281 1 2 . 1 1 14 14 GLU N N 14 121.739 121.739 121.296 0.443 19789
282 1 2 . 1 1 14 14 GLU H H 14 9.003 9.003 9.083 -0.080 19789
283 1 2 . 1 1 15 15 GLU N N 15 117.808 117.808 118.600 -0.792 19789
284 1 2 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.096 -0.018 19789
285 1 2 . 1 1 15 15 GLU H H 15 8.538 8.538 7.721 0.817 19789
286 1 2 . 1 1 16 16 GLN N N 16 119.080 119.080 117.712 1.368 19789
287 1 2 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.362 -0.455 19789
288 1 2 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.403 1.619 19789
289 1 2 . 1 1 16 16 GLN H H 16 7.875 7.875 7.998 -0.123 19789
290 1 2 . 1 1 17 17 LYS N N 17 118.934 118.934 121.554 -2.620 19789
291 1 2 . 1 1 17 17 LYS H H 17 8.650 8.650 8.110 0.540 19789
292 1 2 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.464 0.093 19789
293 1 2 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.185 -0.144 19789
294 1 2 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.541 -0.693 19789
295 1 2 . 1 1 19 19 GLU N N 19 123.449 123.449 118.326 5.123 19789
296 1 2 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.173 0.009 19789
297 1 2 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.587 1.570 19789
298 1 2 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.046 -0.661 19789
299 1 2 . 1 1 19 19 GLU H H 19 8.131 8.131 8.360 -0.229 19789
300 1 2 . 1 1 20 20 PHE N N 20 117.873 117.873 121.324 -3.451 19789
301 1 2 . 1 1 20 20 PHE H H 20 8.645 8.645 8.134 0.511 19789
302 1 2 . 1 1 21 21 LYS N N 21 122.555 122.555 117.551 5.004 19789
303 1 2 . 1 1 21 21 LYS H H 21 8.781 8.781 8.615 0.166 19789
304 1 2 . 1 1 22 22 ALA N N 22 121.657 121.657 121.976 -0.319 19789
305 1 2 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.096 -0.412 19789
306 1 2 . 1 1 22 22 ALA H H 22 7.844 7.844 7.476 0.368 19789
307 1 2 . 1 1 23 23 ALA N N 23 119.044 119.044 122.063 -3.019 19789
308 1 2 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.347 0.092 19789
309 1 2 . 1 1 23 23 ALA H H 23 8.141 8.141 7.549 0.592 19789
310 1 2 . 1 1 24 24 PHE N N 24 121.051 121.051 117.910 3.141 19789
311 1 2 . 1 1 24 24 PHE H H 24 8.942 8.942 7.791 1.151 19789
312 1 2 . 1 1 25 25 ASP N N 25 116.425 116.425 118.130 -1.705 19789
313 1 2 . 1 1 25 25 ASP H H 25 8.546 8.546 7.230 1.316 19789
314 1 2 . 1 1 26 26 ILE N N 26 119.584 119.584 120.057 -0.473 19789
315 1 2 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.770 -0.037 19789
316 1 2 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.048 -0.187 19789
317 1 2 . 1 1 26 26 ILE H H 26 7.314 7.314 7.037 0.277 19789
318 1 2 . 1 1 27 27 PHE N N 27 120.837 120.837 118.919 1.918 19789
319 1 2 . 1 1 27 27 PHE H H 27 8.103 8.103 8.411 -0.308 19789
320 1 2 . 1 1 28 28 VAL N N 28 107.855 107.855 116.058 -8.203 19789
321 1 2 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.642 -0.643 19789
322 1 2 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.360 1.394 19789
323 1 2 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.891 -1.382 19789
324 1 2 . 1 1 28 28 VAL H H 28 7.555 7.555 7.037 0.518 19789
325 1 2 . 1 1 29 29 LEU N N 29 125.187 125.187 124.953 0.234 19789
326 1 2 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.446 0.957 19789
327 1 2 . 1 1 29 29 LEU H H 29 7.229 7.229 7.263 -0.034 19789
328 1 2 . 1 1 30 30 GLY N N 30 111.816 111.816 112.441 -0.625 19789
329 1 2 . 1 1 30 30 GLY H H 30 8.799 8.799 7.961 0.838 19789
330 1 2 . 1 1 31 31 ALA N N 31 124.151 124.151 122.295 1.856 19789
331 1 2 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.551 0.222 19789
332 1 2 . 1 1 31 31 ALA H H 31 7.946 7.946 7.639 0.307 19789
333 1 2 . 1 1 32 32 GLU N N 32 124.621 124.621 119.346 5.275 19789
334 1 2 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.222 -0.137 19789
335 1 2 . 1 1 32 32 GLU H H 32 9.102 9.102 8.640 0.462 19789
336 1 2 . 1 1 33 33 ASP N N 33 115.935 115.935 117.725 -1.790 19789
337 1 2 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.720 0.014 19789
338 1 2 . 1 1 33 33 ASP H H 33 8.199 8.199 8.436 -0.237 19789
339 1 2 . 1 1 34 34 GLY N N 34 105.713 105.713 108.706 -2.993 19789
340 1 2 . 1 1 34 34 GLY H H 34 7.653 7.653 8.236 -0.583 19789
341 1 2 . 1 1 35 35 CYS N N 35 113.447 113.447 117.125 -3.678 19789
342 1 2 . 1 1 35 35 CYS H H 35 7.621 7.621 7.852 -0.231 19789
343 1 2 . 1 1 36 36 ILE N N 36 119.384 119.384 119.878 -0.494 19789
344 1 2 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.458 -0.592 19789
345 1 2 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.544 -2.080 19789
346 1 2 . 1 1 36 36 ILE H H 36 8.793 8.793 8.065 0.728 19789
347 1 2 . 1 1 37 37 SER N N 37 125.951 125.951 118.833 7.118 19789
348 1 2 . 1 1 37 37 SER H H 37 9.421 9.421 8.638 0.783 19789
349 1 2 . 1 1 38 38 THR N N 38 112.286 112.286 117.392 -5.106 19789
350 1 2 . 1 1 38 38 THR HA H 38 3.726 3.726 3.770 -0.044 19789
351 1 2 . 1 1 38 38 THR CA C 38 66.708 66.708 65.868 0.840 19789
352 1 2 . 1 1 38 38 THR H H 38 8.816 8.816 8.155 0.661 19789
353 1 2 . 1 1 39 39 LYS N N 39 122.672 122.672 119.784 2.888 19789
354 1 2 . 1 1 39 39 LYS H H 39 8.016 8.016 8.573 -0.557 19789
355 1 2 . 1 1 40 40 GLU N N 40 119.098 119.098 116.372 2.726 19789
356 1 2 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.301 -0.117 19789
357 1 2 . 1 1 40 40 GLU H H 40 7.705 7.705 8.496 -0.791 19789
358 1 2 . 1 1 41 41 LEU N N 41 119.205 119.205 121.666 -2.461 19789
359 1 2 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.152 -0.042 19789
360 1 2 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.924 -0.236 19789
361 1 2 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.697 0.813 19789
362 1 2 . 1 1 41 41 LEU H H 41 8.356 8.356 7.855 0.501 19789
363 1 2 . 1 1 42 42 GLY N N 42 105.741 105.741 105.546 0.195 19789
364 1 2 . 1 1 42 42 GLY H H 42 8.422 8.422 8.549 -0.127 19789
365 1 2 . 1 1 43 43 LYS N N 43 120.666 120.666 121.237 -0.571 19789
366 1 2 . 1 1 43 43 LYS H H 43 7.265 7.265 7.944 -0.679 19789
367 1 2 . 1 1 44 44 VAL N N 44 119.328 119.328 117.536 1.792 19789
368 1 2 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.899 -0.443 19789
369 1 2 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.290 1.097 19789
370 1 2 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.356 0.280 19789
371 1 2 . 1 1 44 44 VAL H H 44 7.488 7.488 8.256 -0.768 19789
372 1 2 . 1 1 45 45 MET N N 45 116.122 116.122 120.264 -4.142 19789
373 1 2 . 1 1 45 45 MET HA H 45 4.171 4.171 4.019 0.152 19789
374 1 2 . 1 1 45 45 MET H H 45 8.357 8.357 7.529 0.828 19789
375 1 2 . 1 1 46 46 ARG N N 46 118.799 118.799 118.969 -0.170 19789
376 1 2 . 1 1 46 46 ARG H H 46 8.115 8.115 7.686 0.429 19789
377 1 2 . 1 1 47 47 MET N N 47 122.183 122.183 116.427 5.756 19789
378 1 2 . 1 1 47 47 MET HA H 47 4.233 4.233 4.297 -0.064 19789
379 1 2 . 1 1 47 47 MET H H 47 7.866 7.866 7.823 0.043 19789
380 1 2 . 1 1 48 48 LEU N N 48 117.213 117.213 118.723 -1.510 19789
381 1 2 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.238 0.119 19789
382 1 2 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.545 -0.867 19789
383 1 2 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.709 -1.082 19789
384 1 2 . 1 1 48 48 LEU H H 48 7.499 7.499 7.924 -0.425 19789
385 1 2 . 1 1 49 49 GLY N N 49 107.154 107.154 104.783 2.371 19789
386 1 2 . 1 1 49 49 GLY H H 49 7.841 7.841 7.891 -0.050 19789
387 1 2 . 1 1 50 50 GLN N N 50 118.411 118.411 117.695 0.716 19789
388 1 2 . 1 1 50 50 GLN H H 50 8.014 8.014 8.077 -0.063 19789
389 1 2 . 1 1 51 51 ASN N N 51 116.615 116.615 117.192 -0.577 19789
390 1 2 . 1 1 51 51 ASN H H 51 8.716 8.716 8.514 0.202 19789
391 1 2 . 1 1 53 53 THR N N 53 113.821 113.821 113.279 0.542 19789
392 1 2 . 1 1 53 53 THR H H 53 8.801 8.801 8.370 0.431 19789
393 1 2 . 1 1 55 55 GLU N N 55 117.313 117.313 118.868 -1.555 19789
394 1 2 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.245 -0.223 19789
395 1 2 . 1 1 55 55 GLU H H 55 8.751 8.751 8.548 0.203 19789
396 1 2 . 1 1 56 56 GLU N N 56 121.618 121.618 118.466 3.152 19789
397 1 2 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.342 -0.344 19789
398 1 2 . 1 1 56 56 GLU H H 56 7.803 7.803 7.536 0.267 19789
399 1 2 . 1 1 57 57 LEU N N 57 119.131 119.131 120.907 -1.776 19789
400 1 2 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.787 0.261 19789
401 1 2 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.844 -0.997 19789
402 1 2 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.805 0.838 19789
403 1 2 . 1 1 57 57 LEU H H 57 8.179 8.179 8.706 -0.527 19789
404 1 2 . 1 1 58 58 GLN N N 58 117.777 117.777 117.613 0.164 19789
405 1 2 . 1 1 58 58 GLN H H 58 7.945 7.945 8.321 -0.376 19789
406 1 2 . 1 1 59 59 GLU N N 59 119.087 119.087 120.241 -1.154 19789
407 1 2 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.937 0.110 19789
408 1 2 . 1 1 59 59 GLU H H 59 7.887 7.887 8.820 -0.933 19789
409 1 2 . 1 1 60 60 MET N N 60 117.618 117.618 114.097 3.521 19789
410 1 2 . 1 1 60 60 MET HA H 60 3.921 3.921 4.258 -0.337 19789
411 1 2 . 1 1 60 60 MET H H 60 7.702 7.702 8.435 -0.733 19789
412 1 2 . 1 1 61 61 ILE N N 61 118.070 118.070 114.356 3.714 19789
413 1 2 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.188 -0.841 19789
414 1 2 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.625 2.232 19789
415 1 2 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.545 -2.131 19789
416 1 2 . 1 1 61 61 ILE H H 61 7.358 7.358 7.749 -0.391 19789
417 1 2 . 1 1 62 62 ASP N N 62 119.384 119.384 121.860 -2.476 19789
418 1 2 . 1 1 62 62 ASP H H 62 8.683 8.683 8.940 -0.257 19789
419 1 2 . 1 1 63 63 GLU N N 63 115.866 115.866 118.271 -2.405 19789
420 1 2 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.191 -0.161 19789
421 1 2 . 1 1 63 63 GLU H H 63 7.612 7.612 7.962 -0.350 19789
422 1 2 . 1 1 64 64 VAL N N 64 107.501 107.501 109.067 -1.566 19789
423 1 2 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.394 0.151 19789
424 1 2 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.316 0.735 19789
425 1 2 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.034 0.348 19789
426 1 2 . 1 1 64 64 VAL H H 64 7.239 7.239 7.151 0.088 19789
427 1 2 . 1 1 65 65 ASP N N 65 121.745 121.745 122.262 -0.517 19789
428 1 2 . 1 1 65 65 ASP H H 65 7.584 7.584 7.828 -0.244 19789
429 1 2 . 1 1 66 66 GLU N N 66 128.227 128.227 122.718 5.509 19789
430 1 2 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.429 -0.243 19789
431 1 2 . 1 1 66 66 GLU H H 66 8.633 8.633 8.522 0.111 19789
432 1 2 . 1 1 67 67 ASP N N 67 114.509 114.509 117.348 -2.839 19789
433 1 2 . 1 1 67 67 ASP H H 67 7.967 7.967 8.199 -0.232 19789
434 1 2 . 1 1 68 68 GLY N N 68 108.897 108.897 109.731 -0.834 19789
435 1 2 . 1 1 68 68 GLY H H 68 7.765 7.765 8.147 -0.382 19789
436 1 2 . 1 1 69 69 SER N N 69 116.480 116.480 115.674 0.806 19789
437 1 2 . 1 1 69 69 SER H H 69 8.452 8.452 8.606 -0.154 19789
438 1 2 . 1 1 70 70 GLY N N 70 116.525 116.525 112.486 4.039 19789
439 1 2 . 1 1 70 70 GLY H H 70 10.847 10.847 8.273 2.574 19789
440 1 2 . 1 1 71 71 THR N N 71 107.688 107.688 114.374 -6.686 19789
441 1 2 . 1 1 71 71 THR HA H 71 4.914 4.914 5.240 -0.326 19789
442 1 2 . 1 1 71 71 THR CA C 71 58.346 58.346 59.856 -1.510 19789
443 1 2 . 1 1 71 71 THR CB C 71 73.760 73.760 71.464 2.296 19789
444 1 2 . 1 1 71 71 THR H H 71 7.664 7.664 7.500 0.164 19789
445 1 2 . 1 1 72 72 VAL N N 72 126.813 126.813 120.802 6.011 19789
446 1 2 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.752 0.333 19789
447 1 2 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.286 0.294 19789
448 1 2 . 1 1 72 72 VAL H H 72 9.792 9.792 7.881 1.911 19789
449 1 2 . 1 1 73 73 ASP N N 73 128.665 128.665 121.087 7.578 19789
450 1 2 . 1 1 73 73 ASP H H 73 8.746 8.746 8.096 0.650 19789
451 1 2 . 1 1 74 74 PHE N N 74 118.267 118.267 118.371 -0.104 19789
452 1 2 . 1 1 74 74 PHE H H 74 8.577 8.577 9.079 -0.502 19789
453 1 2 . 1 1 75 75 ASP N N 75 117.261 117.261 118.836 -1.575 19789
454 1 2 . 1 1 75 75 ASP H H 75 7.654 7.654 7.522 0.132 19789
455 1 2 . 1 1 76 76 GLU N N 76 120.396 120.396 121.068 -0.672 19789
456 1 2 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.076 -0.049 19789
457 1 2 . 1 1 76 76 GLU H H 76 8.169 8.169 7.807 0.362 19789
458 1 2 . 1 1 77 77 PHE N N 77 122.823 122.823 120.624 2.199 19789
459 1 2 . 1 1 77 77 PHE H H 77 8.984 8.984 9.103 -0.119 19789
460 1 2 . 1 1 78 78 LEU N N 78 118.595 118.595 119.348 -0.753 19789
461 1 2 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.605 -0.318 19789
462 1 2 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.075 0.040 19789
463 1 2 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.263 0.090 19789
464 1 2 . 1 1 78 78 LEU H H 78 7.950 7.950 7.724 0.226 19789
465 1 2 . 1 1 79 79 VAL N N 79 118.101 118.101 118.221 -0.120 19789
466 1 2 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.596 -0.348 19789
467 1 2 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.955 -0.055 19789
468 1 2 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.312 -0.413 19789
469 1 2 . 1 1 79 79 VAL H H 79 6.947 6.947 7.538 -0.591 19789
470 1 2 . 1 1 80 80 MET N N 80 119.853 119.853 116.867 2.986 19789
471 1 2 . 1 1 80 80 MET H H 80 7.952 7.952 8.144 -0.192 19789
472 1 2 . 1 1 81 81 MET N N 81 117.448 117.448 115.933 1.515 19789
473 1 2 . 1 1 81 81 MET H H 81 8.110 8.110 7.970 0.140 19789
474 1 2 . 1 1 82 82 VAL N N 82 117.627 117.627 119.525 -1.898 19789
475 1 2 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.602 0.360 19789
476 1 2 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.277 -0.210 19789
477 1 2 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.401 -0.259 19789
478 1 2 . 1 1 82 82 VAL H H 82 8.183 8.183 7.566 0.617 19789
479 1 2 . 1 1 83 83 ARG N N 83 120.495 120.495 118.420 2.075 19789
480 1 2 . 1 1 83 83 ARG H H 83 8.169 8.169 8.285 -0.116 19789
481 1 2 . 1 1 84 84 CYS N N 84 113.519 113.519 113.479 0.040 19789
482 1 2 . 1 1 84 84 CYS H H 84 7.507 7.507 7.677 -0.170 19789
483 1 2 . 1 1 85 85 MET N N 85 120.618 120.618 122.217 -1.599 19789
484 1 2 . 1 1 85 85 MET H H 85 7.661 7.661 7.621 0.040 19789
485 1 2 . 1 1 86 86 LYS N N 86 120.147 120.147 118.041 2.106 19789
486 1 2 . 1 1 86 86 LYS H H 86 7.779 7.779 7.829 -0.050 19789
487 1 3 . 1 1 3 3 ASP N N 3 122.928 122.928 121.644 1.284 19789
488 1 3 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.997 -0.531 19789
489 1 3 . 1 1 3 3 ASP H H 3 8.538 8.538 8.579 -0.041 19789
490 1 3 . 1 1 4 4 ILE N N 4 119.305 119.305 120.704 -1.399 19789
491 1 3 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.767 0.144 19789
492 1 3 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.622 1.203 19789
493 1 3 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.788 -0.148 19789
494 1 3 . 1 1 4 4 ILE H H 4 8.236 8.236 8.266 -0.030 19789
495 1 3 . 1 1 5 5 TYR N N 5 120.903 120.903 118.077 2.826 19789
496 1 3 . 1 1 5 5 TYR H H 5 7.618 7.618 7.473 0.145 19789
497 1 3 . 1 1 6 6 LYS N N 6 120.946 120.946 120.173 0.773 19789
498 1 3 . 1 1 6 6 LYS H H 6 7.894 7.894 8.616 -0.722 19789
499 1 3 . 1 1 7 7 ALA N N 7 120.284 120.284 120.723 -0.439 19789
500 1 3 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.370 -0.367 19789
501 1 3 . 1 1 7 7 ALA H H 7 7.934 7.934 7.502 0.432 19789
502 1 3 . 1 1 8 8 ALA N N 8 119.988 119.988 121.585 -1.597 19789
503 1 3 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.271 0.129 19789
504 1 3 . 1 1 8 8 ALA H H 8 7.501 7.501 7.596 -0.095 19789
505 1 3 . 1 1 9 9 VAL N N 9 119.175 119.175 118.540 0.635 19789
506 1 3 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.563 -0.003 19789
507 1 3 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.391 -0.015 19789
508 1 3 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.270 0.485 19789
509 1 3 . 1 1 9 9 VAL H H 9 8.077 8.077 7.908 0.169 19789
510 1 3 . 1 1 10 10 GLU N N 10 118.387 118.387 117.854 0.533 19789
511 1 3 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.047 0.070 19789
512 1 3 . 1 1 10 10 GLU H H 10 7.802 7.802 7.590 0.212 19789
513 1 3 . 1 1 11 11 GLN N N 11 114.922 114.922 117.829 -2.907 19789
514 1 3 . 1 1 11 11 GLN H H 11 7.377 7.377 7.533 -0.156 19789
515 1 3 . 1 1 12 12 LEU N N 12 120.676 120.676 118.364 2.312 19789
516 1 3 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.728 -0.209 19789
517 1 3 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.147 1.056 19789
518 1 3 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.405 -0.311 19789
519 1 3 . 1 1 12 12 LEU H H 12 7.388 7.388 7.220 0.168 19789
520 1 3 . 1 1 13 13 THR N N 13 113.723 113.723 115.021 -1.298 19789
521 1 3 . 1 1 13 13 THR HA H 13 4.438 4.438 4.630 -0.192 19789
522 1 3 . 1 1 13 13 THR CA C 13 60.944 60.944 60.115 0.829 19789
523 1 3 . 1 1 13 13 THR H H 13 8.875 8.875 8.163 0.712 19789
524 1 3 . 1 1 14 14 GLU N N 14 121.739 121.739 120.969 0.770 19789
525 1 3 . 1 1 14 14 GLU H H 14 9.003 9.003 8.941 0.062 19789
526 1 3 . 1 1 15 15 GLU N N 15 117.808 117.808 118.743 -0.935 19789
527 1 3 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.095 -0.017 19789
528 1 3 . 1 1 15 15 GLU H H 15 8.538 8.538 7.737 0.801 19789
529 1 3 . 1 1 16 16 GLN N N 16 119.080 119.080 117.555 1.525 19789
530 1 3 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.354 -0.447 19789
531 1 3 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.271 1.751 19789
532 1 3 . 1 1 16 16 GLN H H 16 7.875 7.875 7.852 0.023 19789
533 1 3 . 1 1 17 17 LYS N N 17 118.934 118.934 121.572 -2.638 19789
534 1 3 . 1 1 17 17 LYS H H 17 8.650 8.650 8.101 0.549 19789
535 1 3 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.483 0.074 19789
536 1 3 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.033 0.008 19789
537 1 3 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.481 -0.633 19789
538 1 3 . 1 1 19 19 GLU N N 19 123.449 123.449 118.648 4.801 19789
539 1 3 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.175 0.007 19789
540 1 3 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.715 1.442 19789
541 1 3 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.011 -0.625 19789
542 1 3 . 1 1 19 19 GLU H H 19 8.131 8.131 8.374 -0.243 19789
543 1 3 . 1 1 20 20 PHE N N 20 117.873 117.873 120.984 -3.111 19789
544 1 3 . 1 1 20 20 PHE H H 20 8.645 8.645 8.212 0.433 19789
545 1 3 . 1 1 21 21 LYS N N 21 122.555 122.555 119.010 3.545 19789
546 1 3 . 1 1 21 21 LYS H H 21 8.781 8.781 8.728 0.053 19789
547 1 3 . 1 1 22 22 ALA N N 22 121.657 121.657 121.177 0.480 19789
548 1 3 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.979 -0.296 19789
549 1 3 . 1 1 22 22 ALA H H 22 7.844 7.844 7.457 0.387 19789
550 1 3 . 1 1 23 23 ALA N N 23 119.044 119.044 121.972 -2.928 19789
551 1 3 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.573 -0.135 19789
552 1 3 . 1 1 23 23 ALA H H 23 8.141 8.141 7.607 0.534 19789
553 1 3 . 1 1 24 24 PHE N N 24 121.051 121.051 116.822 4.229 19789
554 1 3 . 1 1 24 24 PHE H H 24 8.942 8.942 7.977 0.965 19789
555 1 3 . 1 1 25 25 ASP N N 25 116.425 116.425 118.468 -2.043 19789
556 1 3 . 1 1 25 25 ASP H H 25 8.546 8.546 7.454 1.092 19789
557 1 3 . 1 1 26 26 ILE N N 26 119.584 119.584 120.095 -0.511 19789
558 1 3 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.863 -0.130 19789
559 1 3 . 1 1 26 26 ILE CB C 26 37.861 37.861 37.971 -0.110 19789
560 1 3 . 1 1 26 26 ILE H H 26 7.314 7.314 7.108 0.206 19789
561 1 3 . 1 1 27 27 PHE N N 27 120.837 120.837 118.578 2.259 19789
562 1 3 . 1 1 27 27 PHE H H 27 8.103 8.103 8.374 -0.271 19789
563 1 3 . 1 1 28 28 VAL N N 28 107.855 107.855 115.593 -7.738 19789
564 1 3 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.542 -0.543 19789
565 1 3 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.136 1.618 19789
566 1 3 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.190 -0.681 19789
567 1 3 . 1 1 28 28 VAL H H 28 7.555 7.555 7.047 0.508 19789
568 1 3 . 1 1 29 29 LEU N N 29 125.187 125.187 125.159 0.028 19789
569 1 3 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.205 1.198 19789
570 1 3 . 1 1 29 29 LEU H H 29 7.229 7.229 7.314 -0.085 19789
571 1 3 . 1 1 30 30 GLY N N 30 111.816 111.816 112.557 -0.741 19789
572 1 3 . 1 1 30 30 GLY H H 30 8.799 8.799 8.004 0.795 19789
573 1 3 . 1 1 31 31 ALA N N 31 124.151 124.151 121.434 2.717 19789
574 1 3 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.962 -0.189 19789
575 1 3 . 1 1 31 31 ALA H H 31 7.946 7.946 7.721 0.225 19789
576 1 3 . 1 1 32 32 GLU N N 32 124.621 124.621 120.045 4.576 19789
577 1 3 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.266 -0.181 19789
578 1 3 . 1 1 32 32 GLU H H 32 9.102 9.102 8.827 0.275 19789
579 1 3 . 1 1 33 33 ASP N N 33 115.935 115.935 117.968 -2.033 19789
580 1 3 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.752 -0.018 19789
581 1 3 . 1 1 33 33 ASP H H 33 8.199 8.199 8.316 -0.117 19789
582 1 3 . 1 1 34 34 GLY N N 34 105.713 105.713 110.186 -4.473 19789
583 1 3 . 1 1 34 34 GLY H H 34 7.653 7.653 8.316 -0.663 19789
584 1 3 . 1 1 35 35 CYS N N 35 113.447 113.447 115.979 -2.532 19789
585 1 3 . 1 1 35 35 CYS H H 35 7.621 7.621 7.683 -0.062 19789
586 1 3 . 1 1 36 36 ILE N N 36 119.384 119.384 118.033 1.351 19789
587 1 3 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.228 -0.362 19789
588 1 3 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.704 -2.240 19789
589 1 3 . 1 1 36 36 ILE H H 36 8.793 8.793 7.782 1.011 19789
590 1 3 . 1 1 37 37 SER N N 37 125.951 125.951 119.636 6.315 19789
591 1 3 . 1 1 37 37 SER H H 37 9.421 9.421 8.521 0.900 19789
592 1 3 . 1 1 38 38 THR N N 38 112.286 112.286 118.059 -5.773 19789
593 1 3 . 1 1 38 38 THR HA H 38 3.726 3.726 3.771 -0.045 19789
594 1 3 . 1 1 38 38 THR CA C 38 66.708 66.708 65.424 1.284 19789
595 1 3 . 1 1 38 38 THR H H 38 8.816 8.816 8.193 0.623 19789
596 1 3 . 1 1 39 39 LYS N N 39 122.672 122.672 121.217 1.455 19789
597 1 3 . 1 1 39 39 LYS H H 39 8.016 8.016 8.441 -0.425 19789
598 1 3 . 1 1 40 40 GLU N N 40 119.098 119.098 116.757 2.341 19789
599 1 3 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.269 -0.085 19789
600 1 3 . 1 1 40 40 GLU H H 40 7.705 7.705 8.498 -0.793 19789
601 1 3 . 1 1 41 41 LEU N N 41 119.205 119.205 121.475 -2.270 19789
602 1 3 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.030 0.080 19789
603 1 3 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.463 0.225 19789
604 1 3 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.743 0.767 19789
605 1 3 . 1 1 41 41 LEU H H 41 8.356 8.356 7.693 0.663 19789
606 1 3 . 1 1 42 42 GLY N N 42 105.741 105.741 105.976 -0.235 19789
607 1 3 . 1 1 42 42 GLY H H 42 8.422 8.422 8.569 -0.147 19789
608 1 3 . 1 1 43 43 LYS N N 43 120.666 120.666 121.385 -0.719 19789
609 1 3 . 1 1 43 43 LYS H H 43 7.265 7.265 7.868 -0.603 19789
610 1 3 . 1 1 44 44 VAL N N 44 119.328 119.328 116.188 3.140 19789
611 1 3 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.946 -0.490 19789
612 1 3 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.404 0.983 19789
613 1 3 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.310 0.326 19789
614 1 3 . 1 1 44 44 VAL H H 44 7.488 7.488 8.165 -0.677 19789
615 1 3 . 1 1 45 45 MET N N 45 116.122 116.122 120.332 -4.210 19789
616 1 3 . 1 1 45 45 MET HA H 45 4.171 4.171 4.005 0.166 19789
617 1 3 . 1 1 45 45 MET H H 45 8.357 8.357 7.488 0.869 19789
618 1 3 . 1 1 46 46 ARG N N 46 118.799 118.799 117.282 1.517 19789
619 1 3 . 1 1 46 46 ARG H H 46 8.115 8.115 7.736 0.379 19789
620 1 3 . 1 1 47 47 MET N N 47 122.183 122.183 116.719 5.464 19789
621 1 3 . 1 1 47 47 MET HA H 47 4.233 4.233 4.270 -0.037 19789
622 1 3 . 1 1 47 47 MET H H 47 7.866 7.866 7.832 0.034 19789
623 1 3 . 1 1 48 48 LEU N N 48 117.213 117.213 118.777 -1.564 19789
624 1 3 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.215 0.142 19789
625 1 3 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.480 -0.802 19789
626 1 3 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.755 -1.128 19789
627 1 3 . 1 1 48 48 LEU H H 48 7.499 7.499 7.759 -0.260 19789
628 1 3 . 1 1 49 49 GLY N N 49 107.154 107.154 105.840 1.314 19789
629 1 3 . 1 1 49 49 GLY H H 49 7.841 7.841 7.832 0.009 19789
630 1 3 . 1 1 50 50 GLN N N 50 118.411 118.411 119.499 -1.088 19789
631 1 3 . 1 1 50 50 GLN H H 50 8.014 8.014 8.071 -0.057 19789
632 1 3 . 1 1 51 51 ASN N N 51 116.615 116.615 115.126 1.489 19789
633 1 3 . 1 1 51 51 ASN H H 51 8.716 8.716 8.576 0.140 19789
634 1 3 . 1 1 53 53 THR N N 53 113.821 113.821 113.701 0.120 19789
635 1 3 . 1 1 53 53 THR H H 53 8.801 8.801 8.415 0.386 19789
636 1 3 . 1 1 55 55 GLU N N 55 117.313 117.313 118.887 -1.574 19789
637 1 3 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.202 -0.180 19789
638 1 3 . 1 1 55 55 GLU H H 55 8.751 8.751 8.335 0.416 19789
639 1 3 . 1 1 56 56 GLU N N 56 121.618 121.618 119.712 1.906 19789
640 1 3 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.245 -0.247 19789
641 1 3 . 1 1 56 56 GLU H H 56 7.803 7.803 7.689 0.114 19789
642 1 3 . 1 1 57 57 LEU N N 57 119.131 119.131 121.285 -2.154 19789
643 1 3 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.826 0.222 19789
644 1 3 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.104 -0.257 19789
645 1 3 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.830 0.813 19789
646 1 3 . 1 1 57 57 LEU H H 57 8.179 8.179 8.568 -0.389 19789
647 1 3 . 1 1 58 58 GLN N N 58 117.777 117.777 118.332 -0.555 19789
648 1 3 . 1 1 58 58 GLN H H 58 7.945 7.945 8.338 -0.393 19789
649 1 3 . 1 1 59 59 GLU N N 59 119.087 119.087 119.729 -0.642 19789
650 1 3 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.958 0.089 19789
651 1 3 . 1 1 59 59 GLU H H 59 7.887 7.887 8.793 -0.906 19789
652 1 3 . 1 1 60 60 MET N N 60 117.618 117.618 114.298 3.320 19789
653 1 3 . 1 1 60 60 MET HA H 60 3.921 3.921 4.281 -0.360 19789
654 1 3 . 1 1 60 60 MET H H 60 7.702 7.702 8.350 -0.648 19789
655 1 3 . 1 1 61 61 ILE N N 61 118.070 118.070 116.795 1.275 19789
656 1 3 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.020 -0.673 19789
657 1 3 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.950 1.907 19789
658 1 3 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.198 -1.784 19789
659 1 3 . 1 1 61 61 ILE H H 61 7.358 7.358 7.812 -0.454 19789
660 1 3 . 1 1 62 62 ASP N N 62 119.384 119.384 120.683 -1.299 19789
661 1 3 . 1 1 62 62 ASP H H 62 8.683 8.683 8.792 -0.109 19789
662 1 3 . 1 1 63 63 GLU N N 63 115.866 115.866 119.338 -3.472 19789
663 1 3 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.115 -0.085 19789
664 1 3 . 1 1 63 63 GLU H H 63 7.612 7.612 7.936 -0.324 19789
665 1 3 . 1 1 64 64 VAL N N 64 107.501 107.501 109.912 -2.411 19789
666 1 3 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.408 0.137 19789
667 1 3 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.453 0.598 19789
668 1 3 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.371 0.011 19789
669 1 3 . 1 1 64 64 VAL H H 64 7.239 7.239 7.404 -0.165 19789
670 1 3 . 1 1 65 65 ASP N N 65 121.745 121.745 122.826 -1.081 19789
671 1 3 . 1 1 65 65 ASP H H 65 7.584 7.584 7.840 -0.256 19789
672 1 3 . 1 1 66 66 GLU N N 66 128.227 128.227 122.834 5.393 19789
673 1 3 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.391 -0.204 19789
674 1 3 . 1 1 66 66 GLU H H 66 8.633 8.633 8.520 0.113 19789
675 1 3 . 1 1 67 67 ASP N N 67 114.509 114.509 117.747 -3.238 19789
676 1 3 . 1 1 67 67 ASP H H 67 7.967 7.967 8.382 -0.415 19789
677 1 3 . 1 1 68 68 GLY N N 68 108.897 108.897 109.530 -0.633 19789
678 1 3 . 1 1 68 68 GLY H H 68 7.765 7.765 8.984 -1.219 19789
679 1 3 . 1 1 69 69 SER N N 69 116.480 116.480 115.875 0.605 19789
680 1 3 . 1 1 69 69 SER H H 69 8.452 8.452 9.079 -0.627 19789
681 1 3 . 1 1 70 70 GLY N N 70 116.525 116.525 109.833 6.692 19789
682 1 3 . 1 1 70 70 GLY H H 70 10.847 10.847 8.345 2.502 19789
683 1 3 . 1 1 71 71 THR N N 71 107.688 107.688 114.730 -7.042 19789
684 1 3 . 1 1 71 71 THR HA H 71 4.914 4.914 4.727 0.187 19789
685 1 3 . 1 1 71 71 THR CA C 71 58.346 58.346 60.225 -1.879 19789
686 1 3 . 1 1 71 71 THR CB C 71 73.760 73.760 71.877 1.883 19789
687 1 3 . 1 1 71 71 THR H H 71 7.664 7.664 7.371 0.293 19789
688 1 3 . 1 1 72 72 VAL N N 72 126.813 126.813 117.633 9.180 19789
689 1 3 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.764 0.321 19789
690 1 3 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.197 -0.617 19789
691 1 3 . 1 1 72 72 VAL H H 72 9.792 9.792 7.762 2.030 19789
692 1 3 . 1 1 73 73 ASP N N 73 128.665 128.665 121.286 7.379 19789
693 1 3 . 1 1 73 73 ASP H H 73 8.746 8.746 8.013 0.733 19789
694 1 3 . 1 1 74 74 PHE N N 74 118.267 118.267 118.201 0.066 19789
695 1 3 . 1 1 74 74 PHE H H 74 8.577 8.577 9.401 -0.824 19789
696 1 3 . 1 1 75 75 ASP N N 75 117.261 117.261 118.377 -1.116 19789
697 1 3 . 1 1 75 75 ASP H H 75 7.654 7.654 7.781 -0.127 19789
698 1 3 . 1 1 76 76 GLU N N 76 120.396 120.396 121.396 -1.000 19789
699 1 3 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.165 -0.138 19789
700 1 3 . 1 1 76 76 GLU H H 76 8.169 8.169 7.921 0.248 19789
701 1 3 . 1 1 77 77 PHE N N 77 122.823 122.823 121.072 1.751 19789
702 1 3 . 1 1 77 77 PHE H H 77 8.984 8.984 8.947 0.037 19789
703 1 3 . 1 1 78 78 LEU N N 78 118.595 118.595 118.577 0.018 19789
704 1 3 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.789 -0.502 19789
705 1 3 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.796 0.319 19789
706 1 3 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.548 -0.195 19789
707 1 3 . 1 1 78 78 LEU H H 78 7.950 7.950 7.773 0.177 19789
708 1 3 . 1 1 79 79 VAL N N 79 118.101 118.101 118.607 -0.506 19789
709 1 3 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.591 -0.343 19789
710 1 3 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.171 0.729 19789
711 1 3 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.807 -0.908 19789
712 1 3 . 1 1 79 79 VAL H H 79 6.947 6.947 7.445 -0.498 19789
713 1 3 . 1 1 80 80 MET N N 80 119.853 119.853 116.598 3.255 19789
714 1 3 . 1 1 80 80 MET H H 80 7.952 7.952 7.483 0.469 19789
715 1 3 . 1 1 81 81 MET N N 81 117.448 117.448 117.118 0.330 19789
716 1 3 . 1 1 81 81 MET H H 81 8.110 8.110 8.032 0.078 19789
717 1 3 . 1 1 82 82 VAL N N 82 117.627 117.627 121.122 -3.495 19789
718 1 3 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.617 0.345 19789
719 1 3 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.215 -0.148 19789
720 1 3 . 1 1 82 82 VAL CB C 82 31.142 31.142 30.803 0.339 19789
721 1 3 . 1 1 82 82 VAL H H 82 8.183 8.183 7.520 0.663 19789
722 1 3 . 1 1 83 83 ARG N N 83 120.495 120.495 118.826 1.669 19789
723 1 3 . 1 1 83 83 ARG H H 83 8.169 8.169 8.346 -0.177 19789
724 1 3 . 1 1 84 84 CYS N N 84 113.519 113.519 116.828 -3.309 19789
725 1 3 . 1 1 84 84 CYS H H 84 7.507 7.507 7.670 -0.163 19789
726 1 3 . 1 1 85 85 MET N N 85 120.618 120.618 120.391 0.227 19789
727 1 3 . 1 1 85 85 MET H H 85 7.661 7.661 7.593 0.068 19789
728 1 3 . 1 1 86 86 LYS N N 86 120.147 120.147 118.207 1.940 19789
729 1 3 . 1 1 86 86 LYS H H 86 7.779 7.779 7.997 -0.218 19789
730 1 4 . 1 1 3 3 ASP N N 3 122.928 122.928 121.677 1.251 19789
731 1 4 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.267 0.199 19789
732 1 4 . 1 1 3 3 ASP H H 3 8.538 8.538 8.526 0.012 19789
733 1 4 . 1 1 4 4 ILE N N 4 119.305 119.305 120.265 -0.960 19789
734 1 4 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.808 0.103 19789
735 1 4 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.611 1.214 19789
736 1 4 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.200 -0.559 19789
737 1 4 . 1 1 4 4 ILE H H 4 8.236 8.236 7.833 0.403 19789
738 1 4 . 1 1 5 5 TYR N N 5 120.903 120.903 116.995 3.908 19789
739 1 4 . 1 1 5 5 TYR H H 5 7.618 7.618 6.450 1.168 19789
740 1 4 . 1 1 6 6 LYS N N 6 120.946 120.946 121.311 -0.365 19789
741 1 4 . 1 1 6 6 LYS H H 6 7.894 7.894 8.374 -0.480 19789
742 1 4 . 1 1 7 7 ALA N N 7 120.284 120.284 120.703 -0.419 19789
743 1 4 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.348 -0.345 19789
744 1 4 . 1 1 7 7 ALA H H 7 7.934 7.934 7.408 0.526 19789
745 1 4 . 1 1 8 8 ALA N N 8 119.988 119.988 121.680 -1.692 19789
746 1 4 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.348 0.052 19789
747 1 4 . 1 1 8 8 ALA H H 8 7.501 7.501 7.624 -0.123 19789
748 1 4 . 1 1 9 9 VAL N N 9 119.175 119.175 118.338 0.837 19789
749 1 4 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.536 0.024 19789
750 1 4 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.158 0.218 19789
751 1 4 . 1 1 9 9 VAL CB C 9 31.756 31.756 32.000 -0.243 19789
752 1 4 . 1 1 9 9 VAL H H 9 8.077 8.077 7.819 0.258 19789
753 1 4 . 1 1 10 10 GLU N N 10 118.387 118.387 117.567 0.820 19789
754 1 4 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.038 0.079 19789
755 1 4 . 1 1 10 10 GLU H H 10 7.802 7.802 7.598 0.204 19789
756 1 4 . 1 1 11 11 GLN N N 11 114.922 114.922 119.211 -4.289 19789
757 1 4 . 1 1 11 11 GLN H H 11 7.377 7.377 7.478 -0.101 19789
758 1 4 . 1 1 12 12 LEU N N 12 120.676 120.676 120.733 -0.057 19789
759 1 4 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.696 -0.177 19789
760 1 4 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.838 1.365 19789
761 1 4 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.758 -1.664 19789
762 1 4 . 1 1 12 12 LEU H H 12 7.388 7.388 7.253 0.135 19789
763 1 4 . 1 1 13 13 THR N N 13 113.723 113.723 114.023 -0.300 19789
764 1 4 . 1 1 13 13 THR HA H 13 4.438 4.438 4.601 -0.163 19789
765 1 4 . 1 1 13 13 THR CA C 13 60.944 60.944 59.970 0.974 19789
766 1 4 . 1 1 13 13 THR H H 13 8.875 8.875 8.317 0.558 19789
767 1 4 . 1 1 14 14 GLU N N 14 121.739 121.739 122.149 -0.410 19789
768 1 4 . 1 1 14 14 GLU H H 14 9.003 9.003 8.985 0.018 19789
769 1 4 . 1 1 15 15 GLU N N 15 117.808 117.808 119.112 -1.304 19789
770 1 4 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.138 -0.060 19789
771 1 4 . 1 1 15 15 GLU H H 15 8.538 8.538 7.767 0.771 19789
772 1 4 . 1 1 16 16 GLN N N 16 119.080 119.080 117.900 1.180 19789
773 1 4 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.289 -0.382 19789
774 1 4 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.995 1.027 19789
775 1 4 . 1 1 16 16 GLN H H 16 7.875 7.875 8.057 -0.182 19789
776 1 4 . 1 1 17 17 LYS N N 17 118.934 118.934 121.085 -2.151 19789
777 1 4 . 1 1 17 17 LYS H H 17 8.650 8.650 8.075 0.575 19789
778 1 4 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.492 0.065 19789
779 1 4 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.992 0.049 19789
780 1 4 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.478 -0.630 19789
781 1 4 . 1 1 19 19 GLU N N 19 123.449 123.449 118.557 4.892 19789
782 1 4 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.190 -0.008 19789
783 1 4 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.694 1.463 19789
784 1 4 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.037 -0.652 19789
785 1 4 . 1 1 19 19 GLU H H 19 8.131 8.131 8.378 -0.247 19789
786 1 4 . 1 1 20 20 PHE N N 20 117.873 117.873 120.925 -3.052 19789
787 1 4 . 1 1 20 20 PHE H H 20 8.645 8.645 8.220 0.425 19789
788 1 4 . 1 1 21 21 LYS N N 21 122.555 122.555 118.733 3.822 19789
789 1 4 . 1 1 21 21 LYS H H 21 8.781 8.781 8.699 0.082 19789
790 1 4 . 1 1 22 22 ALA N N 22 121.657 121.657 121.636 0.021 19789
791 1 4 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.157 -0.474 19789
792 1 4 . 1 1 22 22 ALA H H 22 7.844 7.844 7.389 0.455 19789
793 1 4 . 1 1 23 23 ALA N N 23 119.044 119.044 122.018 -2.974 19789
794 1 4 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.419 0.020 19789
795 1 4 . 1 1 23 23 ALA H H 23 8.141 8.141 7.599 0.542 19789
796 1 4 . 1 1 24 24 PHE N N 24 121.051 121.051 116.517 4.534 19789
797 1 4 . 1 1 24 24 PHE H H 24 8.942 8.942 8.076 0.866 19789
798 1 4 . 1 1 25 25 ASP N N 25 116.425 116.425 118.107 -1.682 19789
799 1 4 . 1 1 25 25 ASP H H 25 8.546 8.546 7.624 0.922 19789
800 1 4 . 1 1 26 26 ILE N N 26 119.584 119.584 120.075 -0.491 19789
801 1 4 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.865 -0.132 19789
802 1 4 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.003 -0.142 19789
803 1 4 . 1 1 26 26 ILE H H 26 7.314 7.314 7.098 0.216 19789
804 1 4 . 1 1 27 27 PHE N N 27 120.837 120.837 118.377 2.460 19789
805 1 4 . 1 1 27 27 PHE H H 27 8.103 8.103 8.443 -0.340 19789
806 1 4 . 1 1 28 28 VAL N N 28 107.855 107.855 117.306 -9.451 19789
807 1 4 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.541 -0.542 19789
808 1 4 . 1 1 28 28 VAL CA C 28 61.754 61.754 59.676 2.078 19789
809 1 4 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.230 -0.721 19789
810 1 4 . 1 1 28 28 VAL H H 28 7.555 7.555 7.087 0.468 19789
811 1 4 . 1 1 29 29 LEU N N 29 125.187 125.187 124.931 0.256 19789
812 1 4 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.146 1.257 19789
813 1 4 . 1 1 29 29 LEU H H 29 7.229 7.229 7.300 -0.071 19789
814 1 4 . 1 1 30 30 GLY N N 30 111.816 111.816 110.425 1.391 19789
815 1 4 . 1 1 30 30 GLY H H 30 8.799 8.799 8.027 0.772 19789
816 1 4 . 1 1 31 31 ALA N N 31 124.151 124.151 121.531 2.620 19789
817 1 4 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.878 -0.105 19789
818 1 4 . 1 1 31 31 ALA H H 31 7.946 7.946 7.663 0.283 19789
819 1 4 . 1 1 32 32 GLU N N 32 124.621 124.621 120.453 4.168 19789
820 1 4 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.282 -0.197 19789
821 1 4 . 1 1 32 32 GLU H H 32 9.102 9.102 8.506 0.596 19789
822 1 4 . 1 1 33 33 ASP N N 33 115.935 115.935 117.701 -1.766 19789
823 1 4 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.737 -0.003 19789
824 1 4 . 1 1 33 33 ASP H H 33 8.199 8.199 8.376 -0.177 19789
825 1 4 . 1 1 34 34 GLY N N 34 105.713 105.713 108.719 -3.006 19789
826 1 4 . 1 1 34 34 GLY H H 34 7.653 7.653 8.285 -0.632 19789
827 1 4 . 1 1 35 35 CYS N N 35 113.447 113.447 117.226 -3.779 19789
828 1 4 . 1 1 35 35 CYS H H 35 7.621 7.621 7.682 -0.061 19789
829 1 4 . 1 1 36 36 ILE N N 36 119.384 119.384 118.747 0.637 19789
830 1 4 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.144 -0.278 19789
831 1 4 . 1 1 36 36 ILE CB C 36 39.464 39.464 40.926 -1.462 19789
832 1 4 . 1 1 36 36 ILE H H 36 8.793 8.793 7.928 0.865 19789
833 1 4 . 1 1 37 37 SER N N 37 125.951 125.951 118.098 7.853 19789
834 1 4 . 1 1 37 37 SER H H 37 9.421 9.421 8.635 0.786 19789
835 1 4 . 1 1 38 38 THR N N 38 112.286 112.286 114.357 -2.071 19789
836 1 4 . 1 1 38 38 THR HA H 38 3.726 3.726 3.718 0.008 19789
837 1 4 . 1 1 38 38 THR CA C 38 66.708 66.708 64.750 1.958 19789
838 1 4 . 1 1 38 38 THR H H 38 8.816 8.816 7.795 1.021 19789
839 1 4 . 1 1 39 39 LYS N N 39 122.672 122.672 122.304 0.368 19789
840 1 4 . 1 1 39 39 LYS H H 39 8.016 8.016 8.413 -0.397 19789
841 1 4 . 1 1 40 40 GLU N N 40 119.098 119.098 116.400 2.698 19789
842 1 4 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.250 -0.066 19789
843 1 4 . 1 1 40 40 GLU H H 40 7.705 7.705 8.509 -0.804 19789
844 1 4 . 1 1 41 41 LEU N N 41 119.205 119.205 121.457 -2.252 19789
845 1 4 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.051 0.059 19789
846 1 4 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.837 -0.149 19789
847 1 4 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.555 0.955 19789
848 1 4 . 1 1 41 41 LEU H H 41 8.356 8.356 7.660 0.696 19789
849 1 4 . 1 1 42 42 GLY N N 42 105.741 105.741 105.552 0.189 19789
850 1 4 . 1 1 42 42 GLY H H 42 8.422 8.422 8.524 -0.102 19789
851 1 4 . 1 1 43 43 LYS N N 43 120.666 120.666 121.152 -0.486 19789
852 1 4 . 1 1 43 43 LYS H H 43 7.265 7.265 7.831 -0.566 19789
853 1 4 . 1 1 44 44 VAL N N 44 119.328 119.328 116.445 2.883 19789
854 1 4 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.927 -0.471 19789
855 1 4 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.034 1.353 19789
856 1 4 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.423 0.213 19789
857 1 4 . 1 1 44 44 VAL H H 44 7.488 7.488 8.088 -0.600 19789
858 1 4 . 1 1 45 45 MET N N 45 116.122 116.122 120.936 -4.814 19789
859 1 4 . 1 1 45 45 MET HA H 45 4.171 4.171 3.931 0.240 19789
860 1 4 . 1 1 45 45 MET H H 45 8.357 8.357 7.437 0.920 19789
861 1 4 . 1 1 46 46 ARG N N 46 118.799 118.799 117.333 1.466 19789
862 1 4 . 1 1 46 46 ARG H H 46 8.115 8.115 7.722 0.393 19789
863 1 4 . 1 1 47 47 MET N N 47 122.183 122.183 116.623 5.560 19789
864 1 4 . 1 1 47 47 MET HA H 47 4.233 4.233 4.261 -0.028 19789
865 1 4 . 1 1 47 47 MET H H 47 7.866 7.866 7.826 0.040 19789
866 1 4 . 1 1 48 48 LEU N N 48 117.213 117.213 118.679 -1.466 19789
867 1 4 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.200 0.157 19789
868 1 4 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.562 -0.884 19789
869 1 4 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.732 -1.105 19789
870 1 4 . 1 1 48 48 LEU H H 48 7.499 7.499 7.752 -0.253 19789
871 1 4 . 1 1 49 49 GLY N N 49 107.154 107.154 105.446 1.708 19789
872 1 4 . 1 1 49 49 GLY H H 49 7.841 7.841 7.855 -0.014 19789
873 1 4 . 1 1 50 50 GLN N N 50 118.411 118.411 119.597 -1.186 19789
874 1 4 . 1 1 50 50 GLN H H 50 8.014 8.014 7.991 0.023 19789
875 1 4 . 1 1 51 51 ASN N N 51 116.615 116.615 116.908 -0.293 19789
876 1 4 . 1 1 51 51 ASN H H 51 8.716 8.716 8.530 0.186 19789
877 1 4 . 1 1 53 53 THR N N 53 113.821 113.821 113.236 0.585 19789
878 1 4 . 1 1 53 53 THR H H 53 8.801 8.801 8.354 0.447 19789
879 1 4 . 1 1 55 55 GLU N N 55 117.313 117.313 119.172 -1.859 19789
880 1 4 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.221 -0.199 19789
881 1 4 . 1 1 55 55 GLU H H 55 8.751 8.751 8.474 0.277 19789
882 1 4 . 1 1 56 56 GLU N N 56 121.618 121.618 118.400 3.218 19789
883 1 4 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.304 -0.306 19789
884 1 4 . 1 1 56 56 GLU H H 56 7.803 7.803 7.554 0.249 19789
885 1 4 . 1 1 57 57 LEU N N 57 119.131 119.131 120.727 -1.596 19789
886 1 4 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.779 0.269 19789
887 1 4 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.674 -0.827 19789
888 1 4 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.725 0.918 19789
889 1 4 . 1 1 57 57 LEU H H 57 8.179 8.179 8.687 -0.508 19789
890 1 4 . 1 1 58 58 GLN N N 58 117.777 117.777 117.329 0.448 19789
891 1 4 . 1 1 58 58 GLN H H 58 7.945 7.945 8.252 -0.307 19789
892 1 4 . 1 1 59 59 GLU N N 59 119.087 119.087 120.224 -1.137 19789
893 1 4 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.940 0.107 19789
894 1 4 . 1 1 59 59 GLU H H 59 7.887 7.887 8.814 -0.927 19789
895 1 4 . 1 1 60 60 MET N N 60 117.618 117.618 114.529 3.089 19789
896 1 4 . 1 1 60 60 MET HA H 60 3.921 3.921 4.206 -0.285 19789
897 1 4 . 1 1 60 60 MET H H 60 7.702 7.702 8.211 -0.509 19789
898 1 4 . 1 1 61 61 ILE N N 61 118.070 118.070 116.975 1.095 19789
899 1 4 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.986 -0.639 19789
900 1 4 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.988 1.869 19789
901 1 4 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.236 -1.822 19789
902 1 4 . 1 1 61 61 ILE H H 61 7.358 7.358 7.761 -0.403 19789
903 1 4 . 1 1 62 62 ASP N N 62 119.384 119.384 120.927 -1.543 19789
904 1 4 . 1 1 62 62 ASP H H 62 8.683 8.683 8.863 -0.180 19789
905 1 4 . 1 1 63 63 GLU N N 63 115.866 115.866 118.716 -2.850 19789
906 1 4 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.144 -0.114 19789
907 1 4 . 1 1 63 63 GLU H H 63 7.612 7.612 8.054 -0.442 19789
908 1 4 . 1 1 64 64 VAL N N 64 107.501 107.501 112.284 -4.783 19789
909 1 4 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.359 0.186 19789
910 1 4 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.063 0.988 19789
911 1 4 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.052 1.330 19789
912 1 4 . 1 1 64 64 VAL H H 64 7.239 7.239 7.299 -0.060 19789
913 1 4 . 1 1 65 65 ASP N N 65 121.745 121.745 122.056 -0.311 19789
914 1 4 . 1 1 65 65 ASP H H 65 7.584 7.584 7.854 -0.270 19789
915 1 4 . 1 1 66 66 GLU N N 66 128.227 128.227 119.412 8.815 19789
916 1 4 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.108 0.078 19789
917 1 4 . 1 1 66 66 GLU H H 66 8.633 8.633 8.381 0.252 19789
918 1 4 . 1 1 67 67 ASP N N 67 114.509 114.509 119.127 -4.618 19789
919 1 4 . 1 1 67 67 ASP H H 67 7.967 7.967 8.127 -0.160 19789
920 1 4 . 1 1 68 68 GLY N N 68 108.897 108.897 109.835 -0.938 19789
921 1 4 . 1 1 68 68 GLY H H 68 7.765 7.765 8.675 -0.910 19789
922 1 4 . 1 1 69 69 SER N N 69 116.480 116.480 117.172 -0.692 19789
923 1 4 . 1 1 69 69 SER H H 69 8.452 8.452 8.988 -0.536 19789
924 1 4 . 1 1 70 70 GLY N N 70 116.525 116.525 110.816 5.709 19789
925 1 4 . 1 1 70 70 GLY H H 70 10.847 10.847 8.237 2.610 19789
926 1 4 . 1 1 71 71 THR N N 71 107.688 107.688 114.991 -7.303 19789
927 1 4 . 1 1 71 71 THR HA H 71 4.914 4.914 5.073 -0.159 19789
928 1 4 . 1 1 71 71 THR CA C 71 58.346 58.346 59.933 -1.587 19789
929 1 4 . 1 1 71 71 THR CB C 71 73.760 73.760 71.479 2.281 19789
930 1 4 . 1 1 71 71 THR H H 71 7.664 7.664 7.412 0.252 19789
931 1 4 . 1 1 72 72 VAL N N 72 126.813 126.813 122.465 4.348 19789
932 1 4 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.565 0.520 19789
933 1 4 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.623 -0.043 19789
934 1 4 . 1 1 72 72 VAL H H 72 9.792 9.792 7.906 1.886 19789
935 1 4 . 1 1 73 73 ASP N N 73 128.665 128.665 120.254 8.411 19789
936 1 4 . 1 1 73 73 ASP H H 73 8.746 8.746 8.041 0.705 19789
937 1 4 . 1 1 74 74 PHE N N 74 118.267 118.267 118.682 -0.415 19789
938 1 4 . 1 1 74 74 PHE H H 74 8.577 8.577 9.505 -0.928 19789
939 1 4 . 1 1 75 75 ASP N N 75 117.261 117.261 118.841 -1.580 19789
940 1 4 . 1 1 75 75 ASP H H 75 7.654 7.654 7.541 0.113 19789
941 1 4 . 1 1 76 76 GLU N N 76 120.396 120.396 120.802 -0.406 19789
942 1 4 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.109 -0.082 19789
943 1 4 . 1 1 76 76 GLU H H 76 8.169 8.169 7.851 0.318 19789
944 1 4 . 1 1 77 77 PHE N N 77 122.823 122.823 121.149 1.674 19789
945 1 4 . 1 1 77 77 PHE H H 77 8.984 8.984 9.137 -0.153 19789
946 1 4 . 1 1 78 78 LEU N N 78 118.595 118.595 118.435 0.160 19789
947 1 4 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.717 -0.430 19789
948 1 4 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.853 0.262 19789
949 1 4 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.489 -0.136 19789
950 1 4 . 1 1 78 78 LEU H H 78 7.950 7.950 7.705 0.245 19789
951 1 4 . 1 1 79 79 VAL N N 79 118.101 118.101 118.796 -0.695 19789
952 1 4 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.577 -0.329 19789
953 1 4 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.867 0.033 19789
954 1 4 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.426 -0.527 19789
955 1 4 . 1 1 79 79 VAL H H 79 6.947 6.947 7.492 -0.545 19789
956 1 4 . 1 1 80 80 MET N N 80 119.853 119.853 117.093 2.760 19789
957 1 4 . 1 1 80 80 MET H H 80 7.952 7.952 7.598 0.354 19789
958 1 4 . 1 1 81 81 MET N N 81 117.448 117.448 116.288 1.160 19789
959 1 4 . 1 1 81 81 MET H H 81 8.110 8.110 8.037 0.073 19789
960 1 4 . 1 1 82 82 VAL N N 82 117.627 117.627 120.398 -2.771 19789
961 1 4 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.638 0.324 19789
962 1 4 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.328 -0.261 19789
963 1 4 . 1 1 82 82 VAL CB C 82 31.142 31.142 30.948 0.194 19789
964 1 4 . 1 1 82 82 VAL H H 82 8.183 8.183 7.486 0.697 19789
965 1 4 . 1 1 83 83 ARG N N 83 120.495 120.495 119.175 1.320 19789
966 1 4 . 1 1 83 83 ARG H H 83 8.169 8.169 8.251 -0.082 19789
967 1 4 . 1 1 84 84 CYS N N 84 113.519 113.519 116.795 -3.276 19789
968 1 4 . 1 1 84 84 CYS H H 84 7.507 7.507 7.664 -0.157 19789
969 1 4 . 1 1 85 85 MET N N 85 120.618 120.618 120.165 0.453 19789
970 1 4 . 1 1 85 85 MET H H 85 7.661 7.661 7.489 0.172 19789
971 1 4 . 1 1 86 86 LYS N N 86 120.147 120.147 118.251 1.896 19789
972 1 4 . 1 1 86 86 LYS H H 86 7.779 7.779 8.017 -0.238 19789
973 1 5 . 1 1 3 3 ASP N N 3 122.928 122.928 122.004 0.924 19789
974 1 5 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.898 -0.432 19789
975 1 5 . 1 1 3 3 ASP H H 3 8.538 8.538 8.632 -0.094 19789
976 1 5 . 1 1 4 4 ILE N N 4 119.305 119.305 120.355 -1.050 19789
977 1 5 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.785 0.126 19789
978 1 5 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.620 1.205 19789
979 1 5 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.995 -0.354 19789
980 1 5 . 1 1 4 4 ILE H H 4 8.236 8.236 8.141 0.095 19789
981 1 5 . 1 1 5 5 TYR N N 5 120.903 120.903 119.291 1.612 19789
982 1 5 . 1 1 5 5 TYR H H 5 7.618 7.618 7.506 0.112 19789
983 1 5 . 1 1 6 6 LYS N N 6 120.946 120.946 120.663 0.283 19789
984 1 5 . 1 1 6 6 LYS H H 6 7.894 7.894 8.665 -0.771 19789
985 1 5 . 1 1 7 7 ALA N N 7 120.284 120.284 120.485 -0.201 19789
986 1 5 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.335 -0.333 19789
987 1 5 . 1 1 7 7 ALA H H 7 7.934 7.934 7.546 0.388 19789
988 1 5 . 1 1 8 8 ALA N N 8 119.988 119.988 121.585 -1.597 19789
989 1 5 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.392 0.008 19789
990 1 5 . 1 1 8 8 ALA H H 8 7.501 7.501 7.614 -0.113 19789
991 1 5 . 1 1 9 9 VAL N N 9 119.175 119.175 118.276 0.899 19789
992 1 5 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.693 -0.133 19789
993 1 5 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.332 1.044 19789
994 1 5 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.362 0.394 19789
995 1 5 . 1 1 9 9 VAL H H 9 8.077 8.077 7.934 0.143 19789
996 1 5 . 1 1 10 10 GLU N N 10 118.387 118.387 118.508 -0.121 19789
997 1 5 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.074 0.043 19789
998 1 5 . 1 1 10 10 GLU H H 10 7.802 7.802 7.587 0.215 19789
999 1 5 . 1 1 11 11 GLN N N 11 114.922 114.922 117.963 -3.041 19789
1000 1 5 . 1 1 11 11 GLN H H 11 7.377 7.377 7.472 -0.095 19789
1001 1 5 . 1 1 12 12 LEU N N 12 120.676 120.676 121.683 -1.007 19789
1002 1 5 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.507 0.012 19789
1003 1 5 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.733 1.470 19789
1004 1 5 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.576 -1.482 19789
1005 1 5 . 1 1 12 12 LEU H H 12 7.388 7.388 7.240 0.148 19789
1006 1 5 . 1 1 13 13 THR N N 13 113.723 113.723 113.801 -0.078 19789
1007 1 5 . 1 1 13 13 THR HA H 13 4.438 4.438 4.510 -0.072 19789
1008 1 5 . 1 1 13 13 THR CA C 13 60.944 60.944 60.081 0.863 19789
1009 1 5 . 1 1 13 13 THR H H 13 8.875 8.875 8.230 0.645 19789
1010 1 5 . 1 1 14 14 GLU N N 14 121.739 121.739 122.239 -0.500 19789
1011 1 5 . 1 1 14 14 GLU H H 14 9.003 9.003 8.906 0.097 19789
1012 1 5 . 1 1 15 15 GLU N N 15 117.808 117.808 119.548 -1.740 19789
1013 1 5 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.094 -0.016 19789
1014 1 5 . 1 1 15 15 GLU H H 15 8.538 8.538 7.690 0.848 19789
1015 1 5 . 1 1 16 16 GLN N N 16 119.080 119.080 117.808 1.272 19789
1016 1 5 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.233 -0.326 19789
1017 1 5 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.631 1.391 19789
1018 1 5 . 1 1 16 16 GLN H H 16 7.875 7.875 7.887 -0.012 19789
1019 1 5 . 1 1 17 17 LYS N N 17 118.934 118.934 120.783 -1.849 19789
1020 1 5 . 1 1 17 17 LYS H H 17 8.650 8.650 7.890 0.760 19789
1021 1 5 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.477 0.080 19789
1022 1 5 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.003 0.038 19789
1023 1 5 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.459 -0.611 19789
1024 1 5 . 1 1 19 19 GLU N N 19 123.449 123.449 117.510 5.939 19789
1025 1 5 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.254 -0.072 19789
1026 1 5 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.356 1.801 19789
1027 1 5 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.346 -0.961 19789
1028 1 5 . 1 1 19 19 GLU H H 19 8.131 8.131 8.374 -0.243 19789
1029 1 5 . 1 1 20 20 PHE N N 20 117.873 117.873 119.707 -1.834 19789
1030 1 5 . 1 1 20 20 PHE H H 20 8.645 8.645 8.188 0.457 19789
1031 1 5 . 1 1 21 21 LYS N N 21 122.555 122.555 119.941 2.614 19789
1032 1 5 . 1 1 21 21 LYS H H 21 8.781 8.781 8.906 -0.125 19789
1033 1 5 . 1 1 22 22 ALA N N 22 121.657 121.657 122.163 -0.506 19789
1034 1 5 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.170 -0.487 19789
1035 1 5 . 1 1 22 22 ALA H H 22 7.844 7.844 7.214 0.630 19789
1036 1 5 . 1 1 23 23 ALA N N 23 119.044 119.044 121.496 -2.452 19789
1037 1 5 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.330 0.109 19789
1038 1 5 . 1 1 23 23 ALA H H 23 8.141 8.141 7.617 0.524 19789
1039 1 5 . 1 1 24 24 PHE N N 24 121.051 121.051 114.507 6.544 19789
1040 1 5 . 1 1 24 24 PHE H H 24 8.942 8.942 7.832 1.110 19789
1041 1 5 . 1 1 25 25 ASP N N 25 116.425 116.425 118.334 -1.909 19789
1042 1 5 . 1 1 25 25 ASP H H 25 8.546 8.546 7.332 1.214 19789
1043 1 5 . 1 1 26 26 ILE N N 26 119.584 119.584 120.722 -1.138 19789
1044 1 5 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.790 -0.057 19789
1045 1 5 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.238 -0.377 19789
1046 1 5 . 1 1 26 26 ILE H H 26 7.314 7.314 7.437 -0.123 19789
1047 1 5 . 1 1 27 27 PHE N N 27 120.837 120.837 118.209 2.628 19789
1048 1 5 . 1 1 27 27 PHE H H 27 8.103 8.103 8.593 -0.490 19789
1049 1 5 . 1 1 28 28 VAL N N 28 107.855 107.855 118.953 -11.098 19789
1050 1 5 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.490 -0.491 19789
1051 1 5 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.444 1.310 19789
1052 1 5 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.480 -0.971 19789
1053 1 5 . 1 1 28 28 VAL H H 28 7.555 7.555 7.189 0.366 19789
1054 1 5 . 1 1 29 29 LEU N N 29 125.187 125.187 124.302 0.885 19789
1055 1 5 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.834 0.569 19789
1056 1 5 . 1 1 29 29 LEU H H 29 7.229 7.229 7.283 -0.054 19789
1057 1 5 . 1 1 30 30 GLY N N 30 111.816 111.816 111.364 0.452 19789
1058 1 5 . 1 1 30 30 GLY H H 30 8.799 8.799 7.983 0.816 19789
1059 1 5 . 1 1 31 31 ALA N N 31 124.151 124.151 122.647 1.504 19789
1060 1 5 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.854 -0.081 19789
1061 1 5 . 1 1 31 31 ALA H H 31 7.946 7.946 7.691 0.255 19789
1062 1 5 . 1 1 32 32 GLU N N 32 124.621 124.621 120.532 4.089 19789
1063 1 5 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.250 -0.165 19789
1064 1 5 . 1 1 32 32 GLU H H 32 9.102 9.102 8.873 0.229 19789
1065 1 5 . 1 1 33 33 ASP N N 33 115.935 115.935 118.011 -2.076 19789
1066 1 5 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.742 -0.008 19789
1067 1 5 . 1 1 33 33 ASP H H 33 8.199 8.199 8.307 -0.108 19789
1068 1 5 . 1 1 34 34 GLY N N 34 105.713 105.713 110.159 -4.446 19789
1069 1 5 . 1 1 34 34 GLY H H 34 7.653 7.653 8.299 -0.646 19789
1070 1 5 . 1 1 35 35 CYS N N 35 113.447 113.447 116.286 -2.839 19789
1071 1 5 . 1 1 35 35 CYS H H 35 7.621 7.621 7.731 -0.110 19789
1072 1 5 . 1 1 36 36 ILE N N 36 119.384 119.384 117.520 1.864 19789
1073 1 5 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.415 -0.549 19789
1074 1 5 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.574 -2.110 19789
1075 1 5 . 1 1 36 36 ILE H H 36 8.793 8.793 7.765 1.028 19789
1076 1 5 . 1 1 37 37 SER N N 37 125.951 125.951 117.926 8.025 19789
1077 1 5 . 1 1 37 37 SER H H 37 9.421 9.421 8.898 0.523 19789
1078 1 5 . 1 1 38 38 THR N N 38 112.286 112.286 116.926 -4.640 19789
1079 1 5 . 1 1 38 38 THR HA H 38 3.726 3.726 3.689 0.037 19789
1080 1 5 . 1 1 38 38 THR CA C 38 66.708 66.708 66.035 0.673 19789
1081 1 5 . 1 1 38 38 THR H H 38 8.816 8.816 8.344 0.472 19789
1082 1 5 . 1 1 39 39 LYS N N 39 122.672 122.672 121.969 0.703 19789
1083 1 5 . 1 1 39 39 LYS H H 39 8.016 8.016 8.321 -0.305 19789
1084 1 5 . 1 1 40 40 GLU N N 40 119.098 119.098 116.493 2.605 19789
1085 1 5 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.216 -0.032 19789
1086 1 5 . 1 1 40 40 GLU H H 40 7.705 7.705 8.527 -0.822 19789
1087 1 5 . 1 1 41 41 LEU N N 41 119.205 119.205 121.428 -2.223 19789
1088 1 5 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.071 0.039 19789
1089 1 5 . 1 1 41 41 LEU CA C 41 57.688 57.688 58.249 -0.561 19789
1090 1 5 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.518 0.992 19789
1091 1 5 . 1 1 41 41 LEU H H 41 8.356 8.356 8.023 0.333 19789
1092 1 5 . 1 1 42 42 GLY N N 42 105.741 105.741 105.563 0.178 19789
1093 1 5 . 1 1 42 42 GLY H H 42 8.422 8.422 8.580 -0.158 19789
1094 1 5 . 1 1 43 43 LYS N N 43 120.666 120.666 120.943 -0.277 19789
1095 1 5 . 1 1 43 43 LYS H H 43 7.265 7.265 7.909 -0.644 19789
1096 1 5 . 1 1 44 44 VAL N N 44 119.328 119.328 116.141 3.187 19789
1097 1 5 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.890 -0.434 19789
1098 1 5 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.588 0.799 19789
1099 1 5 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.801 -0.165 19789
1100 1 5 . 1 1 44 44 VAL H H 44 7.488 7.488 8.095 -0.607 19789
1101 1 5 . 1 1 45 45 MET N N 45 116.122 116.122 119.877 -3.755 19789
1102 1 5 . 1 1 45 45 MET HA H 45 4.171 4.171 4.029 0.142 19789
1103 1 5 . 1 1 45 45 MET H H 45 8.357 8.357 7.455 0.902 19789
1104 1 5 . 1 1 46 46 ARG N N 46 118.799 118.799 117.370 1.429 19789
1105 1 5 . 1 1 46 46 ARG H H 46 8.115 8.115 7.782 0.333 19789
1106 1 5 . 1 1 47 47 MET N N 47 122.183 122.183 117.172 5.011 19789
1107 1 5 . 1 1 47 47 MET HA H 47 4.233 4.233 4.287 -0.054 19789
1108 1 5 . 1 1 47 47 MET H H 47 7.866 7.866 7.788 0.078 19789
1109 1 5 . 1 1 48 48 LEU N N 48 117.213 117.213 118.763 -1.550 19789
1110 1 5 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.198 0.159 19789
1111 1 5 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.847 -1.169 19789
1112 1 5 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.700 -1.073 19789
1113 1 5 . 1 1 48 48 LEU H H 48 7.499 7.499 7.926 -0.427 19789
1114 1 5 . 1 1 49 49 GLY N N 49 107.154 107.154 105.185 1.969 19789
1115 1 5 . 1 1 49 49 GLY H H 49 7.841 7.841 7.828 0.013 19789
1116 1 5 . 1 1 50 50 GLN N N 50 118.411 118.411 117.450 0.961 19789
1117 1 5 . 1 1 50 50 GLN H H 50 8.014 8.014 8.129 -0.115 19789
1118 1 5 . 1 1 51 51 ASN N N 51 116.615 116.615 114.606 2.009 19789
1119 1 5 . 1 1 51 51 ASN H H 51 8.716 8.716 8.519 0.197 19789
1120 1 5 . 1 1 53 53 THR N N 53 113.821 113.821 113.266 0.555 19789
1121 1 5 . 1 1 53 53 THR H H 53 8.801 8.801 8.308 0.493 19789
1122 1 5 . 1 1 55 55 GLU N N 55 117.313 117.313 117.363 -0.050 19789
1123 1 5 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.141 -0.119 19789
1124 1 5 . 1 1 55 55 GLU H H 55 8.751 8.751 8.612 0.139 19789
1125 1 5 . 1 1 56 56 GLU N N 56 121.618 121.618 118.928 2.690 19789
1126 1 5 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.283 -0.285 19789
1127 1 5 . 1 1 56 56 GLU H H 56 7.803 7.803 7.465 0.338 19789
1128 1 5 . 1 1 57 57 LEU N N 57 119.131 119.131 121.936 -2.805 19789
1129 1 5 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.971 0.077 19789
1130 1 5 . 1 1 57 57 LEU CA C 57 57.847 57.847 57.703 0.144 19789
1131 1 5 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.390 1.253 19789
1132 1 5 . 1 1 57 57 LEU H H 57 8.179 8.179 8.585 -0.406 19789
1133 1 5 . 1 1 58 58 GLN N N 58 117.777 117.777 118.161 -0.384 19789
1134 1 5 . 1 1 58 58 GLN H H 58 7.945 7.945 8.206 -0.261 19789
1135 1 5 . 1 1 59 59 GLU N N 59 119.087 119.087 120.528 -1.441 19789
1136 1 5 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.944 0.103 19789
1137 1 5 . 1 1 59 59 GLU H H 59 7.887 7.887 8.829 -0.942 19789
1138 1 5 . 1 1 60 60 MET N N 60 117.618 117.618 114.497 3.121 19789
1139 1 5 . 1 1 60 60 MET HA H 60 3.921 3.921 4.146 -0.225 19789
1140 1 5 . 1 1 60 60 MET H H 60 7.702 7.702 8.096 -0.394 19789
1141 1 5 . 1 1 61 61 ILE N N 61 118.070 118.070 116.447 1.623 19789
1142 1 5 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.784 -0.437 19789
1143 1 5 . 1 1 61 61 ILE CA C 61 64.857 64.857 63.009 1.848 19789
1144 1 5 . 1 1 61 61 ILE CB C 61 37.414 37.414 38.966 -1.552 19789
1145 1 5 . 1 1 61 61 ILE H H 61 7.358 7.358 7.732 -0.374 19789
1146 1 5 . 1 1 62 62 ASP N N 62 119.384 119.384 120.590 -1.206 19789
1147 1 5 . 1 1 62 62 ASP H H 62 8.683 8.683 8.830 -0.147 19789
1148 1 5 . 1 1 63 63 GLU N N 63 115.866 115.866 119.391 -3.525 19789
1149 1 5 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.130 -0.100 19789
1150 1 5 . 1 1 63 63 GLU H H 63 7.612 7.612 7.749 -0.137 19789
1151 1 5 . 1 1 64 64 VAL N N 64 107.501 107.501 108.681 -1.180 19789
1152 1 5 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.413 0.132 19789
1153 1 5 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.403 0.648 19789
1154 1 5 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.030 0.352 19789
1155 1 5 . 1 1 64 64 VAL H H 64 7.239 7.239 7.246 -0.007 19789
1156 1 5 . 1 1 65 65 ASP N N 65 121.745 121.745 122.330 -0.585 19789
1157 1 5 . 1 1 65 65 ASP H H 65 7.584 7.584 7.867 -0.283 19789
1158 1 5 . 1 1 66 66 GLU N N 66 128.227 128.227 122.690 5.537 19789
1159 1 5 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.344 -0.158 19789
1160 1 5 . 1 1 66 66 GLU H H 66 8.633 8.633 8.606 0.027 19789
1161 1 5 . 1 1 67 67 ASP N N 67 114.509 114.509 117.863 -3.354 19789
1162 1 5 . 1 1 67 67 ASP H H 67 7.967 7.967 8.243 -0.276 19789
1163 1 5 . 1 1 68 68 GLY N N 68 108.897 108.897 108.369 0.528 19789
1164 1 5 . 1 1 68 68 GLY H H 68 7.765 7.765 8.698 -0.933 19789
1165 1 5 . 1 1 69 69 SER N N 69 116.480 116.480 118.539 -2.059 19789
1166 1 5 . 1 1 69 69 SER H H 69 8.452 8.452 8.431 0.021 19789
1167 1 5 . 1 1 70 70 GLY N N 70 116.525 116.525 107.677 8.848 19789
1168 1 5 . 1 1 70 70 GLY H H 70 10.847 10.847 8.284 2.563 19789
1169 1 5 . 1 1 71 71 THR N N 71 107.688 107.688 112.308 -4.620 19789
1170 1 5 . 1 1 71 71 THR HA H 71 4.914 4.914 4.647 0.267 19789
1171 1 5 . 1 1 71 71 THR CA C 71 58.346 58.346 59.719 -1.373 19789
1172 1 5 . 1 1 71 71 THR CB C 71 73.760 73.760 71.210 2.550 19789
1173 1 5 . 1 1 71 71 THR H H 71 7.664 7.664 7.423 0.241 19789
1174 1 5 . 1 1 72 72 VAL N N 72 126.813 126.813 121.304 5.509 19789
1175 1 5 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.441 0.644 19789
1176 1 5 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.411 -0.831 19789
1177 1 5 . 1 1 72 72 VAL H H 72 9.792 9.792 7.981 1.811 19789
1178 1 5 . 1 1 73 73 ASP N N 73 128.665 128.665 122.052 6.613 19789
1179 1 5 . 1 1 73 73 ASP H H 73 8.746 8.746 8.001 0.745 19789
1180 1 5 . 1 1 74 74 PHE N N 74 118.267 118.267 117.101 1.166 19789
1181 1 5 . 1 1 74 74 PHE H H 74 8.577 8.577 9.405 -0.828 19789
1182 1 5 . 1 1 75 75 ASP N N 75 117.261 117.261 118.807 -1.546 19789
1183 1 5 . 1 1 75 75 ASP H H 75 7.654 7.654 8.551 -0.897 19789
1184 1 5 . 1 1 76 76 GLU N N 76 120.396 120.396 121.503 -1.107 19789
1185 1 5 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.179 -0.152 19789
1186 1 5 . 1 1 76 76 GLU H H 76 8.169 8.169 9.488 -1.319 19789
1187 1 5 . 1 1 77 77 PHE N N 77 122.823 122.823 120.403 2.420 19789
1188 1 5 . 1 1 77 77 PHE H H 77 8.984 8.984 8.650 0.334 19789
1189 1 5 . 1 1 78 78 LEU N N 78 118.595 118.595 119.839 -1.244 19789
1190 1 5 . 1 1 78 78 LEU HA H 78 3.287 3.287 4.721 -1.434 19789
1191 1 5 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.392 -0.278 19789
1192 1 5 . 1 1 78 78 LEU CB C 78 41.353 41.353 42.162 -0.809 19789
1193 1 5 . 1 1 78 78 LEU H H 78 7.950 7.950 8.149 -0.199 19789
1194 1 5 . 1 1 79 79 VAL N N 79 118.101 118.101 118.551 -0.450 19789
1195 1 5 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.829 -0.581 19789
1196 1 5 . 1 1 79 79 VAL CA C 79 66.900 66.900 65.880 1.020 19789
1197 1 5 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.411 -0.512 19789
1198 1 5 . 1 1 79 79 VAL H H 79 6.947 6.947 7.769 -0.822 19789
1199 1 5 . 1 1 80 80 MET N N 80 119.853 119.853 117.902 1.951 19789
1200 1 5 . 1 1 80 80 MET H H 80 7.952 7.952 8.392 -0.440 19789
1201 1 5 . 1 1 81 81 MET N N 81 117.448 117.448 117.325 0.123 19789
1202 1 5 . 1 1 81 81 MET H H 81 8.110 8.110 8.070 0.040 19789
1203 1 5 . 1 1 82 82 VAL N N 82 117.627 117.627 121.857 -4.230 19789
1204 1 5 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.647 0.315 19789
1205 1 5 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.359 -0.292 19789
1206 1 5 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.471 -0.329 19789
1207 1 5 . 1 1 82 82 VAL H H 82 8.183 8.183 7.660 0.523 19789
1208 1 5 . 1 1 83 83 ARG N N 83 120.495 120.495 117.782 2.713 19789
1209 1 5 . 1 1 83 83 ARG H H 83 8.169 8.169 8.348 -0.179 19789
1210 1 5 . 1 1 84 84 CYS N N 84 113.519 113.519 117.457 -3.938 19789
1211 1 5 . 1 1 84 84 CYS H H 84 7.507 7.507 7.786 -0.279 19789
1212 1 5 . 1 1 85 85 MET N N 85 120.618 120.618 121.382 -0.764 19789
1213 1 5 . 1 1 85 85 MET H H 85 7.661 7.661 7.637 0.024 19789
1214 1 5 . 1 1 86 86 LYS N N 86 120.147 120.147 118.152 1.995 19789
1215 1 5 . 1 1 86 86 LYS H H 86 7.779 7.779 8.131 -0.352 19789
1216 1 6 . 1 1 3 3 ASP N N 3 122.928 122.928 118.760 4.168 19789
1217 1 6 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.184 0.282 19789
1218 1 6 . 1 1 3 3 ASP H H 3 8.538 8.538 8.310 0.228 19789
1219 1 6 . 1 1 4 4 ILE N N 4 119.305 119.305 119.899 -0.594 19789
1220 1 6 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.842 0.069 19789
1221 1 6 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.052 1.773 19789
1222 1 6 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.581 0.060 19789
1223 1 6 . 1 1 4 4 ILE H H 4 8.236 8.236 8.253 -0.017 19789
1224 1 6 . 1 1 5 5 TYR N N 5 120.903 120.903 116.212 4.691 19789
1225 1 6 . 1 1 5 5 TYR H H 5 7.618 7.618 6.767 0.851 19789
1226 1 6 . 1 1 6 6 LYS N N 6 120.946 120.946 120.993 -0.047 19789
1227 1 6 . 1 1 6 6 LYS H H 6 7.894 7.894 7.869 0.025 19789
1228 1 6 . 1 1 7 7 ALA N N 7 120.284 120.284 120.245 0.039 19789
1229 1 6 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.234 -0.231 19789
1230 1 6 . 1 1 7 7 ALA H H 7 7.934 7.934 7.337 0.598 19789
1231 1 6 . 1 1 8 8 ALA N N 8 119.988 119.988 122.025 -2.037 19789
1232 1 6 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.357 0.043 19789
1233 1 6 . 1 1 8 8 ALA H H 8 7.501 7.501 7.612 -0.111 19789
1234 1 6 . 1 1 9 9 VAL N N 9 119.175 119.175 117.606 1.569 19789
1235 1 6 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.539 0.021 19789
1236 1 6 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.958 0.418 19789
1237 1 6 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.762 -0.006 19789
1238 1 6 . 1 1 9 9 VAL H H 9 8.077 8.077 7.822 0.255 19789
1239 1 6 . 1 1 10 10 GLU N N 10 118.387 118.387 118.791 -0.404 19789
1240 1 6 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.074 0.043 19789
1241 1 6 . 1 1 10 10 GLU H H 10 7.802 7.802 7.703 0.099 19789
1242 1 6 . 1 1 11 11 GLN N N 11 114.922 114.922 117.862 -2.940 19789
1243 1 6 . 1 1 11 11 GLN H H 11 7.377 7.377 7.455 -0.078 19789
1244 1 6 . 1 1 12 12 LEU N N 12 120.676 120.676 121.741 -1.065 19789
1245 1 6 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.509 0.010 19789
1246 1 6 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.049 1.154 19789
1247 1 6 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.555 -1.461 19789
1248 1 6 . 1 1 12 12 LEU H H 12 7.388 7.388 7.183 0.205 19789
1249 1 6 . 1 1 13 13 THR N N 13 113.723 113.723 118.298 -4.575 19789
1250 1 6 . 1 1 13 13 THR HA H 13 4.438 4.438 4.560 -0.122 19789
1251 1 6 . 1 1 13 13 THR CA C 13 60.944 60.944 60.578 0.366 19789
1252 1 6 . 1 1 13 13 THR H H 13 8.875 8.875 8.382 0.493 19789
1253 1 6 . 1 1 14 14 GLU N N 14 121.739 121.739 122.562 -0.823 19789
1254 1 6 . 1 1 14 14 GLU H H 14 9.003 9.003 8.941 0.062 19789
1255 1 6 . 1 1 15 15 GLU N N 15 117.808 117.808 117.966 -0.158 19789
1256 1 6 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.175 -0.097 19789
1257 1 6 . 1 1 15 15 GLU H H 15 8.538 8.538 8.678 -0.140 19789
1258 1 6 . 1 1 16 16 GLN N N 16 119.080 119.080 118.142 0.938 19789
1259 1 6 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.346 -0.439 19789
1260 1 6 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.309 1.713 19789
1261 1 6 . 1 1 16 16 GLN H H 16 7.875 7.875 8.110 -0.235 19789
1262 1 6 . 1 1 17 17 LYS N N 17 118.934 118.934 120.963 -2.029 19789
1263 1 6 . 1 1 17 17 LYS H H 17 8.650 8.650 8.011 0.639 19789
1264 1 6 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.459 0.098 19789
1265 1 6 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.183 -0.142 19789
1266 1 6 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.428 -0.580 19789
1267 1 6 . 1 1 19 19 GLU N N 19 123.449 123.449 117.918 5.531 19789
1268 1 6 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.202 -0.019 19789
1269 1 6 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.520 1.637 19789
1270 1 6 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.100 -0.715 19789
1271 1 6 . 1 1 19 19 GLU H H 19 8.131 8.131 8.366 -0.235 19789
1272 1 6 . 1 1 20 20 PHE N N 20 117.873 117.873 121.091 -3.218 19789
1273 1 6 . 1 1 20 20 PHE H H 20 8.645 8.645 8.109 0.536 19789
1274 1 6 . 1 1 21 21 LYS N N 21 122.555 122.555 119.295 3.260 19789
1275 1 6 . 1 1 21 21 LYS H H 21 8.781 8.781 8.977 -0.196 19789
1276 1 6 . 1 1 22 22 ALA N N 22 121.657 121.657 121.958 -0.301 19789
1277 1 6 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.212 -0.529 19789
1278 1 6 . 1 1 22 22 ALA H H 22 7.844 7.844 7.417 0.427 19789
1279 1 6 . 1 1 23 23 ALA N N 23 119.044 119.044 121.933 -2.889 19789
1280 1 6 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.073 0.366 19789
1281 1 6 . 1 1 23 23 ALA H H 23 8.141 8.141 7.553 0.588 19789
1282 1 6 . 1 1 24 24 PHE N N 24 121.051 121.051 117.164 3.887 19789
1283 1 6 . 1 1 24 24 PHE H H 24 8.942 8.942 7.873 1.069 19789
1284 1 6 . 1 1 25 25 ASP N N 25 116.425 116.425 118.804 -2.379 19789
1285 1 6 . 1 1 25 25 ASP H H 25 8.546 8.546 7.621 0.925 19789
1286 1 6 . 1 1 26 26 ILE N N 26 119.584 119.584 120.907 -1.323 19789
1287 1 6 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.725 0.008 19789
1288 1 6 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.017 -0.156 19789
1289 1 6 . 1 1 26 26 ILE H H 26 7.314 7.314 7.597 -0.283 19789
1290 1 6 . 1 1 27 27 PHE N N 27 120.837 120.837 118.124 2.713 19789
1291 1 6 . 1 1 27 27 PHE H H 27 8.103 8.103 8.620 -0.517 19789
1292 1 6 . 1 1 28 28 VAL N N 28 107.855 107.855 112.500 -4.645 19789
1293 1 6 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.224 -0.225 19789
1294 1 6 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.390 1.364 19789
1295 1 6 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.470 0.039 19789
1296 1 6 . 1 1 28 28 VAL H H 28 7.555 7.555 7.201 0.354 19789
1297 1 6 . 1 1 29 29 LEU N N 29 125.187 125.187 124.697 0.490 19789
1298 1 6 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.303 1.100 19789
1299 1 6 . 1 1 29 29 LEU H H 29 7.229 7.229 7.187 0.042 19789
1300 1 6 . 1 1 30 30 GLY N N 30 111.816 111.816 111.808 0.008 19789
1301 1 6 . 1 1 30 30 GLY H H 30 8.799 8.799 8.114 0.685 19789
1302 1 6 . 1 1 31 31 ALA N N 31 124.151 124.151 122.319 1.832 19789
1303 1 6 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.477 0.295 19789
1304 1 6 . 1 1 31 31 ALA H H 31 7.946 7.946 7.423 0.523 19789
1305 1 6 . 1 1 32 32 GLU N N 32 124.621 124.621 118.978 5.643 19789
1306 1 6 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.191 -0.106 19789
1307 1 6 . 1 1 32 32 GLU H H 32 9.102 9.102 8.585 0.517 19789
1308 1 6 . 1 1 33 33 ASP N N 33 115.935 115.935 117.840 -1.905 19789
1309 1 6 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.664 0.070 19789
1310 1 6 . 1 1 33 33 ASP H H 33 8.199 8.199 8.480 -0.281 19789
1311 1 6 . 1 1 34 34 GLY N N 34 105.713 105.713 109.649 -3.936 19789
1312 1 6 . 1 1 34 34 GLY H H 34 7.653 7.653 8.253 -0.600 19789
1313 1 6 . 1 1 35 35 CYS N N 35 113.447 113.447 116.899 -3.452 19789
1314 1 6 . 1 1 35 35 CYS H H 35 7.621 7.621 7.691 -0.070 19789
1315 1 6 . 1 1 36 36 ILE N N 36 119.384 119.384 117.808 1.576 19789
1316 1 6 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.491 -0.625 19789
1317 1 6 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.707 -2.243 19789
1318 1 6 . 1 1 36 36 ILE H H 36 8.793 8.793 8.036 0.757 19789
1319 1 6 . 1 1 37 37 SER N N 37 125.951 125.951 122.131 3.820 19789
1320 1 6 . 1 1 37 37 SER H H 37 9.421 9.421 8.682 0.739 19789
1321 1 6 . 1 1 38 38 THR N N 38 112.286 112.286 118.188 -5.902 19789
1322 1 6 . 1 1 38 38 THR HA H 38 3.726 3.726 3.740 -0.014 19789
1323 1 6 . 1 1 38 38 THR CA C 38 66.708 66.708 65.289 1.419 19789
1324 1 6 . 1 1 38 38 THR H H 38 8.816 8.816 8.179 0.637 19789
1325 1 6 . 1 1 39 39 LYS N N 39 122.672 122.672 120.545 2.127 19789
1326 1 6 . 1 1 39 39 LYS H H 39 8.016 8.016 8.354 -0.338 19789
1327 1 6 . 1 1 40 40 GLU N N 40 119.098 119.098 117.045 2.053 19789
1328 1 6 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.164 0.020 19789
1329 1 6 . 1 1 40 40 GLU H H 40 7.705 7.705 8.430 -0.725 19789
1330 1 6 . 1 1 41 41 LEU N N 41 119.205 119.205 121.042 -1.837 19789
1331 1 6 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.318 0.792 19789
1332 1 6 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.193 0.495 19789
1333 1 6 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.420 1.090 19789
1334 1 6 . 1 1 41 41 LEU H H 41 8.356 8.356 7.911 0.445 19789
1335 1 6 . 1 1 42 42 GLY N N 42 105.741 105.741 105.532 0.209 19789
1336 1 6 . 1 1 42 42 GLY H H 42 8.422 8.422 8.415 0.007 19789
1337 1 6 . 1 1 43 43 LYS N N 43 120.666 120.666 121.087 -0.421 19789
1338 1 6 . 1 1 43 43 LYS H H 43 7.265 7.265 7.735 -0.470 19789
1339 1 6 . 1 1 44 44 VAL N N 44 119.328 119.328 117.421 1.907 19789
1340 1 6 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.772 -0.316 19789
1341 1 6 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.487 0.900 19789
1342 1 6 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.869 0.767 19789
1343 1 6 . 1 1 44 44 VAL H H 44 7.488 7.488 7.971 -0.483 19789
1344 1 6 . 1 1 45 45 MET N N 45 116.122 116.122 120.870 -4.748 19789
1345 1 6 . 1 1 45 45 MET HA H 45 4.171 4.171 3.979 0.192 19789
1346 1 6 . 1 1 45 45 MET H H 45 8.357 8.357 7.154 1.203 19789
1347 1 6 . 1 1 46 46 ARG N N 46 118.799 118.799 118.980 -0.181 19789
1348 1 6 . 1 1 46 46 ARG H H 46 8.115 8.115 7.637 0.478 19789
1349 1 6 . 1 1 47 47 MET N N 47 122.183 122.183 115.833 6.350 19789
1350 1 6 . 1 1 47 47 MET HA H 47 4.233 4.233 4.289 -0.056 19789
1351 1 6 . 1 1 47 47 MET H H 47 7.866 7.866 7.811 0.055 19789
1352 1 6 . 1 1 48 48 LEU N N 48 117.213 117.213 118.305 -1.092 19789
1353 1 6 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.209 0.148 19789
1354 1 6 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.420 -0.742 19789
1355 1 6 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.721 -1.094 19789
1356 1 6 . 1 1 48 48 LEU H H 48 7.499 7.499 7.723 -0.224 19789
1357 1 6 . 1 1 49 49 GLY N N 49 107.154 107.154 105.854 1.300 19789
1358 1 6 . 1 1 49 49 GLY H H 49 7.841 7.841 7.799 0.042 19789
1359 1 6 . 1 1 50 50 GLN N N 50 118.411 118.411 118.702 -0.291 19789
1360 1 6 . 1 1 50 50 GLN H H 50 8.014 8.014 8.015 -0.001 19789
1361 1 6 . 1 1 51 51 ASN N N 51 116.615 116.615 116.642 -0.027 19789
1362 1 6 . 1 1 51 51 ASN H H 51 8.716 8.716 8.475 0.241 19789
1363 1 6 . 1 1 53 53 THR N N 53 113.821 113.821 113.226 0.595 19789
1364 1 6 . 1 1 53 53 THR H H 53 8.801 8.801 8.290 0.511 19789
1365 1 6 . 1 1 55 55 GLU N N 55 117.313 117.313 118.793 -1.480 19789
1366 1 6 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.259 -0.237 19789
1367 1 6 . 1 1 55 55 GLU H H 55 8.751 8.751 8.551 0.200 19789
1368 1 6 . 1 1 56 56 GLU N N 56 121.618 121.618 118.511 3.107 19789
1369 1 6 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.354 -0.356 19789
1370 1 6 . 1 1 56 56 GLU H H 56 7.803 7.803 7.422 0.381 19789
1371 1 6 . 1 1 57 57 LEU N N 57 119.131 119.131 122.037 -2.906 19789
1372 1 6 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.994 0.054 19789
1373 1 6 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.062 -0.215 19789
1374 1 6 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.255 1.388 19789
1375 1 6 . 1 1 57 57 LEU H H 57 8.179 8.179 8.676 -0.497 19789
1376 1 6 . 1 1 58 58 GLN N N 58 117.777 117.777 117.354 0.423 19789
1377 1 6 . 1 1 58 58 GLN H H 58 7.945 7.945 8.349 -0.404 19789
1378 1 6 . 1 1 59 59 GLU N N 59 119.087 119.087 120.206 -1.119 19789
1379 1 6 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.964 0.083 19789
1380 1 6 . 1 1 59 59 GLU H H 59 7.887 7.887 8.837 -0.950 19789
1381 1 6 . 1 1 60 60 MET N N 60 117.618 117.618 114.962 2.656 19789
1382 1 6 . 1 1 60 60 MET HA H 60 3.921 3.921 4.502 -0.581 19789
1383 1 6 . 1 1 60 60 MET H H 60 7.702 7.702 8.538 -0.836 19789
1384 1 6 . 1 1 61 61 ILE N N 61 118.070 118.070 118.094 -0.024 19789
1385 1 6 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.238 -0.891 19789
1386 1 6 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.312 2.545 19789
1387 1 6 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.548 -2.134 19789
1388 1 6 . 1 1 61 61 ILE H H 61 7.358 7.358 7.918 -0.560 19789
1389 1 6 . 1 1 62 62 ASP N N 62 119.384 119.384 121.715 -2.331 19789
1390 1 6 . 1 1 62 62 ASP H H 62 8.683 8.683 8.950 -0.267 19789
1391 1 6 . 1 1 63 63 GLU N N 63 115.866 115.866 117.922 -2.056 19789
1392 1 6 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.214 -0.184 19789
1393 1 6 . 1 1 63 63 GLU H H 63 7.612 7.612 7.864 -0.252 19789
1394 1 6 . 1 1 64 64 VAL N N 64 107.501 107.501 109.614 -2.113 19789
1395 1 6 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.387 0.158 19789
1396 1 6 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.536 0.515 19789
1397 1 6 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.369 0.013 19789
1398 1 6 . 1 1 64 64 VAL H H 64 7.239 7.239 7.500 -0.261 19789
1399 1 6 . 1 1 65 65 ASP N N 65 121.745 121.745 122.364 -0.619 19789
1400 1 6 . 1 1 65 65 ASP H H 65 7.584 7.584 7.854 -0.270 19789
1401 1 6 . 1 1 66 66 GLU N N 66 128.227 128.227 123.815 4.412 19789
1402 1 6 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.387 -0.201 19789
1403 1 6 . 1 1 66 66 GLU H H 66 8.633 8.633 8.589 0.044 19789
1404 1 6 . 1 1 67 67 ASP N N 67 114.509 114.509 118.215 -3.706 19789
1405 1 6 . 1 1 67 67 ASP H H 67 7.967 7.967 8.201 -0.234 19789
1406 1 6 . 1 1 68 68 GLY N N 68 108.897 108.897 109.698 -0.801 19789
1407 1 6 . 1 1 68 68 GLY H H 68 7.765 7.765 8.569 -0.804 19789
1408 1 6 . 1 1 69 69 SER N N 69 116.480 116.480 115.694 0.786 19789
1409 1 6 . 1 1 69 69 SER H H 69 8.452 8.452 8.646 -0.194 19789
1410 1 6 . 1 1 70 70 GLY N N 70 116.525 116.525 112.136 4.389 19789
1411 1 6 . 1 1 70 70 GLY H H 70 10.847 10.847 8.607 2.240 19789
1412 1 6 . 1 1 71 71 THR N N 71 107.688 107.688 114.398 -6.710 19789
1413 1 6 . 1 1 71 71 THR HA H 71 4.914 4.914 5.239 -0.325 19789
1414 1 6 . 1 1 71 71 THR CA C 71 58.346 58.346 59.721 -1.375 19789
1415 1 6 . 1 1 71 71 THR CB C 71 73.760 73.760 71.719 2.041 19789
1416 1 6 . 1 1 71 71 THR H H 71 7.664 7.664 7.509 0.155 19789
1417 1 6 . 1 1 72 72 VAL N N 72 126.813 126.813 122.279 4.534 19789
1418 1 6 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.685 0.400 19789
1419 1 6 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.025 -0.445 19789
1420 1 6 . 1 1 72 72 VAL H H 72 9.792 9.792 7.843 1.949 19789
1421 1 6 . 1 1 73 73 ASP N N 73 128.665 128.665 120.837 7.828 19789
1422 1 6 . 1 1 73 73 ASP H H 73 8.746 8.746 8.144 0.602 19789
1423 1 6 . 1 1 74 74 PHE N N 74 118.267 118.267 118.344 -0.077 19789
1424 1 6 . 1 1 74 74 PHE H H 74 8.577 8.577 9.264 -0.687 19789
1425 1 6 . 1 1 75 75 ASP N N 75 117.261 117.261 119.011 -1.750 19789
1426 1 6 . 1 1 75 75 ASP H H 75 7.654 7.654 7.598 0.056 19789
1427 1 6 . 1 1 76 76 GLU N N 76 120.396 120.396 121.055 -0.659 19789
1428 1 6 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.123 -0.096 19789
1429 1 6 . 1 1 76 76 GLU H H 76 8.169 8.169 7.850 0.319 19789
1430 1 6 . 1 1 77 77 PHE N N 77 122.823 122.823 120.845 1.978 19789
1431 1 6 . 1 1 77 77 PHE H H 77 8.984 8.984 9.157 -0.173 19789
1432 1 6 . 1 1 78 78 LEU N N 78 118.595 118.595 118.929 -0.334 19789
1433 1 6 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.820 -0.533 19789
1434 1 6 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.874 0.241 19789
1435 1 6 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.254 0.099 19789
1436 1 6 . 1 1 78 78 LEU H H 78 7.950 7.950 7.712 0.238 19789
1437 1 6 . 1 1 79 79 VAL N N 79 118.101 118.101 118.902 -0.801 19789
1438 1 6 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.562 -0.314 19789
1439 1 6 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.618 0.282 19789
1440 1 6 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.087 -0.188 19789
1441 1 6 . 1 1 79 79 VAL H H 79 6.947 6.947 7.369 -0.422 19789
1442 1 6 . 1 1 80 80 MET N N 80 119.853 119.853 117.221 2.632 19789
1443 1 6 . 1 1 80 80 MET H H 80 7.952 7.952 7.845 0.107 19789
1444 1 6 . 1 1 81 81 MET N N 81 117.448 117.448 115.973 1.475 19789
1445 1 6 . 1 1 81 81 MET H H 81 8.110 8.110 7.807 0.303 19789
1446 1 6 . 1 1 82 82 VAL N N 82 117.627 117.627 120.355 -2.728 19789
1447 1 6 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.610 0.352 19789
1448 1 6 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.170 -0.103 19789
1449 1 6 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.391 -0.249 19789
1450 1 6 . 1 1 82 82 VAL H H 82 8.183 8.183 7.468 0.715 19789
1451 1 6 . 1 1 83 83 ARG N N 83 120.495 120.495 120.141 0.354 19789
1452 1 6 . 1 1 83 83 ARG H H 83 8.169 8.169 8.194 -0.025 19789
1453 1 6 . 1 1 84 84 CYS N N 84 113.519 113.519 117.015 -3.496 19789
1454 1 6 . 1 1 84 84 CYS H H 84 7.507 7.507 7.735 -0.228 19789
1455 1 6 . 1 1 85 85 MET N N 85 120.618 120.618 121.207 -0.589 19789
1456 1 6 . 1 1 85 85 MET H H 85 7.661 7.661 7.541 0.120 19789
1457 1 6 . 1 1 86 86 LYS N N 86 120.147 120.147 118.734 1.413 19789
1458 1 6 . 1 1 86 86 LYS H H 86 7.779 7.779 8.055 -0.276 19789
1459 1 7 . 1 1 3 3 ASP N N 3 122.928 122.928 120.340 2.588 19789
1460 1 7 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.214 0.252 19789
1461 1 7 . 1 1 3 3 ASP H H 3 8.538 8.538 8.488 0.050 19789
1462 1 7 . 1 1 4 4 ILE N N 4 119.305 119.305 119.551 -0.246 19789
1463 1 7 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.829 0.082 19789
1464 1 7 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.034 0.791 19789
1465 1 7 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.142 -0.501 19789
1466 1 7 . 1 1 4 4 ILE H H 4 8.236 8.236 7.882 0.354 19789
1467 1 7 . 1 1 5 5 TYR N N 5 120.903 120.903 116.654 4.249 19789
1468 1 7 . 1 1 5 5 TYR H H 5 7.618 7.618 6.654 0.964 19789
1469 1 7 . 1 1 6 6 LYS N N 6 120.946 120.946 119.660 1.286 19789
1470 1 7 . 1 1 6 6 LYS H H 6 7.894 7.894 8.202 -0.308 19789
1471 1 7 . 1 1 7 7 ALA N N 7 120.284 120.284 120.707 -0.423 19789
1472 1 7 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.276 -0.273 19789
1473 1 7 . 1 1 7 7 ALA H H 7 7.934 7.934 7.454 0.480 19789
1474 1 7 . 1 1 8 8 ALA N N 8 119.988 119.988 121.823 -1.835 19789
1475 1 7 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.474 -0.074 19789
1476 1 7 . 1 1 8 8 ALA H H 8 7.501 7.501 7.659 -0.158 19789
1477 1 7 . 1 1 9 9 VAL N N 9 119.175 119.175 117.095 2.080 19789
1478 1 7 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.640 -0.080 19789
1479 1 7 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.537 0.839 19789
1480 1 7 . 1 1 9 9 VAL CB C 9 31.756 31.756 30.988 0.768 19789
1481 1 7 . 1 1 9 9 VAL H H 9 8.077 8.077 7.797 0.280 19789
1482 1 7 . 1 1 10 10 GLU N N 10 118.387 118.387 119.044 -0.657 19789
1483 1 7 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.118 -0.001 19789
1484 1 7 . 1 1 10 10 GLU H H 10 7.802 7.802 7.700 0.102 19789
1485 1 7 . 1 1 11 11 GLN N N 11 114.922 114.922 117.853 -2.931 19789
1486 1 7 . 1 1 11 11 GLN H H 11 7.377 7.377 7.588 -0.211 19789
1487 1 7 . 1 1 12 12 LEU N N 12 120.676 120.676 116.130 4.546 19789
1488 1 7 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.796 -0.277 19789
1489 1 7 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.752 1.451 19789
1490 1 7 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.750 -0.656 19789
1491 1 7 . 1 1 12 12 LEU H H 12 7.388 7.388 7.280 0.108 19789
1492 1 7 . 1 1 13 13 THR N N 13 113.723 113.723 117.083 -3.360 19789
1493 1 7 . 1 1 13 13 THR HA H 13 4.438 4.438 4.569 -0.131 19789
1494 1 7 . 1 1 13 13 THR CA C 13 60.944 60.944 60.484 0.459 19789
1495 1 7 . 1 1 13 13 THR H H 13 8.875 8.875 8.129 0.746 19789
1496 1 7 . 1 1 14 14 GLU N N 14 121.739 121.739 122.960 -1.221 19789
1497 1 7 . 1 1 14 14 GLU H H 14 9.003 9.003 8.969 0.034 19789
1498 1 7 . 1 1 15 15 GLU N N 15 117.808 117.808 118.077 -0.269 19789
1499 1 7 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.034 0.044 19789
1500 1 7 . 1 1 15 15 GLU H H 15 8.538 8.538 8.533 0.005 19789
1501 1 7 . 1 1 16 16 GLN N N 16 119.080 119.080 117.780 1.300 19789
1502 1 7 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.880 0.027 19789
1503 1 7 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.539 1.483 19789
1504 1 7 . 1 1 16 16 GLN H H 16 7.875 7.875 7.812 0.063 19789
1505 1 7 . 1 1 17 17 LYS N N 17 118.934 118.934 120.590 -1.656 19789
1506 1 7 . 1 1 17 17 LYS H H 17 8.650 8.650 7.858 0.792 19789
1507 1 7 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.373 0.184 19789
1508 1 7 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.943 0.098 19789
1509 1 7 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.351 -0.503 19789
1510 1 7 . 1 1 19 19 GLU N N 19 123.449 123.449 119.120 4.329 19789
1511 1 7 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.072 0.110 19789
1512 1 7 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.829 1.328 19789
1513 1 7 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.653 -0.268 19789
1514 1 7 . 1 1 19 19 GLU H H 19 8.131 8.131 7.994 0.137 19789
1515 1 7 . 1 1 20 20 PHE N N 20 117.873 117.873 118.966 -1.093 19789
1516 1 7 . 1 1 20 20 PHE H H 20 8.645 8.645 7.312 1.333 19789
1517 1 7 . 1 1 21 21 LYS N N 21 122.555 122.555 119.642 2.913 19789
1518 1 7 . 1 1 21 21 LYS H H 21 8.781 8.781 8.858 -0.077 19789
1519 1 7 . 1 1 22 22 ALA N N 22 121.657 121.657 121.562 0.095 19789
1520 1 7 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.180 -0.496 19789
1521 1 7 . 1 1 22 22 ALA H H 22 7.844 7.844 7.571 0.273 19789
1522 1 7 . 1 1 23 23 ALA N N 23 119.044 119.044 121.854 -2.810 19789
1523 1 7 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.076 0.363 19789
1524 1 7 . 1 1 23 23 ALA H H 23 8.141 8.141 7.648 0.493 19789
1525 1 7 . 1 1 24 24 PHE N N 24 121.051 121.051 117.676 3.375 19789
1526 1 7 . 1 1 24 24 PHE H H 24 8.942 8.942 8.288 0.654 19789
1527 1 7 . 1 1 25 25 ASP N N 25 116.425 116.425 118.911 -2.486 19789
1528 1 7 . 1 1 25 25 ASP H H 25 8.546 8.546 7.665 0.881 19789
1529 1 7 . 1 1 26 26 ILE N N 26 119.584 119.584 120.992 -1.408 19789
1530 1 7 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.733 -0.000 19789
1531 1 7 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.060 -0.199 19789
1532 1 7 . 1 1 26 26 ILE H H 26 7.314 7.314 7.635 -0.321 19789
1533 1 7 . 1 1 27 27 PHE N N 27 120.837 120.837 118.370 2.467 19789
1534 1 7 . 1 1 27 27 PHE H H 27 8.103 8.103 8.813 -0.710 19789
1535 1 7 . 1 1 28 28 VAL N N 28 107.855 107.855 118.076 -10.221 19789
1536 1 7 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.085 -0.086 19789
1537 1 7 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.624 1.130 19789
1538 1 7 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.821 -0.312 19789
1539 1 7 . 1 1 28 28 VAL H H 28 7.555 7.555 7.330 0.225 19789
1540 1 7 . 1 1 29 29 LEU N N 29 125.187 125.187 124.415 0.772 19789
1541 1 7 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.754 0.649 19789
1542 1 7 . 1 1 29 29 LEU H H 29 7.229 7.229 7.199 0.030 19789
1543 1 7 . 1 1 30 30 GLY N N 30 111.816 111.816 112.127 -0.311 19789
1544 1 7 . 1 1 30 30 GLY H H 30 8.799 8.799 8.011 0.788 19789
1545 1 7 . 1 1 31 31 ALA N N 31 124.151 124.151 122.143 2.008 19789
1546 1 7 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.493 0.280 19789
1547 1 7 . 1 1 31 31 ALA H H 31 7.946 7.946 7.383 0.563 19789
1548 1 7 . 1 1 32 32 GLU N N 32 124.621 124.621 119.061 5.560 19789
1549 1 7 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.211 -0.126 19789
1550 1 7 . 1 1 32 32 GLU H H 32 9.102 9.102 8.564 0.538 19789
1551 1 7 . 1 1 33 33 ASP N N 33 115.935 115.935 117.709 -1.774 19789
1552 1 7 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.701 0.033 19789
1553 1 7 . 1 1 33 33 ASP H H 33 8.199 8.199 8.392 -0.193 19789
1554 1 7 . 1 1 34 34 GLY N N 34 105.713 105.713 107.325 -1.612 19789
1555 1 7 . 1 1 34 34 GLY H H 34 7.653 7.653 8.163 -0.510 19789
1556 1 7 . 1 1 35 35 CYS N N 35 113.447 113.447 117.233 -3.786 19789
1557 1 7 . 1 1 35 35 CYS H H 35 7.621 7.621 7.793 -0.172 19789
1558 1 7 . 1 1 36 36 ILE N N 36 119.384 119.384 118.169 1.215 19789
1559 1 7 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.347 -0.481 19789
1560 1 7 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.772 -2.308 19789
1561 1 7 . 1 1 36 36 ILE H H 36 8.793 8.793 8.445 0.348 19789
1562 1 7 . 1 1 37 37 SER N N 37 125.951 125.951 117.546 8.405 19789
1563 1 7 . 1 1 37 37 SER H H 37 9.421 9.421 8.738 0.683 19789
1564 1 7 . 1 1 38 38 THR N N 38 112.286 112.286 113.637 -1.351 19789
1565 1 7 . 1 1 38 38 THR HA H 38 3.726 3.726 3.700 0.026 19789
1566 1 7 . 1 1 38 38 THR CA C 38 66.708 66.708 64.680 2.028 19789
1567 1 7 . 1 1 38 38 THR H H 38 8.816 8.816 7.962 0.854 19789
1568 1 7 . 1 1 39 39 LYS N N 39 122.672 122.672 121.688 0.984 19789
1569 1 7 . 1 1 39 39 LYS H H 39 8.016 8.016 8.299 -0.283 19789
1570 1 7 . 1 1 40 40 GLU N N 40 119.098 119.098 116.893 2.205 19789
1571 1 7 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.180 0.004 19789
1572 1 7 . 1 1 40 40 GLU H H 40 7.705 7.705 8.416 -0.711 19789
1573 1 7 . 1 1 41 41 LEU N N 41 119.205 119.205 121.022 -1.817 19789
1574 1 7 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.290 0.820 19789
1575 1 7 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.229 0.459 19789
1576 1 7 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.393 1.117 19789
1577 1 7 . 1 1 41 41 LEU H H 41 8.356 8.356 7.923 0.433 19789
1578 1 7 . 1 1 42 42 GLY N N 42 105.741 105.741 105.543 0.198 19789
1579 1 7 . 1 1 42 42 GLY H H 42 8.422 8.422 8.363 0.059 19789
1580 1 7 . 1 1 43 43 LYS N N 43 120.666 120.666 120.940 -0.274 19789
1581 1 7 . 1 1 43 43 LYS H H 43 7.265 7.265 7.677 -0.412 19789
1582 1 7 . 1 1 44 44 VAL N N 44 119.328 119.328 116.266 3.062 19789
1583 1 7 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.785 -0.329 19789
1584 1 7 . 1 1 44 44 VAL CA C 44 66.387 66.387 66.176 0.211 19789
1585 1 7 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.431 0.205 19789
1586 1 7 . 1 1 44 44 VAL H H 44 7.488 7.488 8.052 -0.564 19789
1587 1 7 . 1 1 45 45 MET N N 45 116.122 116.122 120.024 -3.902 19789
1588 1 7 . 1 1 45 45 MET HA H 45 4.171 4.171 4.039 0.132 19789
1589 1 7 . 1 1 45 45 MET H H 45 8.357 8.357 7.338 1.019 19789
1590 1 7 . 1 1 46 46 ARG N N 46 118.799 118.799 118.850 -0.051 19789
1591 1 7 . 1 1 46 46 ARG H H 46 8.115 8.115 7.789 0.326 19789
1592 1 7 . 1 1 47 47 MET N N 47 122.183 122.183 116.677 5.506 19789
1593 1 7 . 1 1 47 47 MET HA H 47 4.233 4.233 4.283 -0.050 19789
1594 1 7 . 1 1 47 47 MET H H 47 7.866 7.866 7.646 0.220 19789
1595 1 7 . 1 1 48 48 LEU N N 48 117.213 117.213 118.695 -1.482 19789
1596 1 7 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.220 0.137 19789
1597 1 7 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.572 -0.894 19789
1598 1 7 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.789 -1.162 19789
1599 1 7 . 1 1 48 48 LEU H H 48 7.499 7.499 7.740 -0.241 19789
1600 1 7 . 1 1 49 49 GLY N N 49 107.154 107.154 105.596 1.558 19789
1601 1 7 . 1 1 49 49 GLY H H 49 7.841 7.841 7.806 0.035 19789
1602 1 7 . 1 1 50 50 GLN N N 50 118.411 118.411 119.252 -0.841 19789
1603 1 7 . 1 1 50 50 GLN H H 50 8.014 8.014 7.838 0.176 19789
1604 1 7 . 1 1 51 51 ASN N N 51 116.615 116.615 116.667 -0.052 19789
1605 1 7 . 1 1 51 51 ASN H H 51 8.716 8.716 8.725 -0.009 19789
1606 1 7 . 1 1 53 53 THR N N 53 113.821 113.821 112.495 1.326 19789
1607 1 7 . 1 1 53 53 THR H H 53 8.801 8.801 8.234 0.567 19789
1608 1 7 . 1 1 55 55 GLU N N 55 117.313 117.313 118.334 -1.021 19789
1609 1 7 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.244 -0.222 19789
1610 1 7 . 1 1 55 55 GLU H H 55 8.751 8.751 8.549 0.202 19789
1611 1 7 . 1 1 56 56 GLU N N 56 121.618 121.618 117.972 3.646 19789
1612 1 7 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.313 -0.315 19789
1613 1 7 . 1 1 56 56 GLU H H 56 7.803 7.803 7.545 0.258 19789
1614 1 7 . 1 1 57 57 LEU N N 57 119.131 119.131 122.437 -3.306 19789
1615 1 7 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.906 0.142 19789
1616 1 7 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.282 -0.435 19789
1617 1 7 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.288 1.355 19789
1618 1 7 . 1 1 57 57 LEU H H 57 8.179 8.179 8.635 -0.456 19789
1619 1 7 . 1 1 58 58 GLN N N 58 117.777 117.777 117.515 0.262 19789
1620 1 7 . 1 1 58 58 GLN H H 58 7.945 7.945 8.426 -0.481 19789
1621 1 7 . 1 1 59 59 GLU N N 59 119.087 119.087 120.369 -1.282 19789
1622 1 7 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.977 0.070 19789
1623 1 7 . 1 1 59 59 GLU H H 59 7.887 7.887 8.674 -0.787 19789
1624 1 7 . 1 1 60 60 MET N N 60 117.618 117.618 113.658 3.960 19789
1625 1 7 . 1 1 60 60 MET HA H 60 3.921 3.921 4.624 -0.703 19789
1626 1 7 . 1 1 60 60 MET H H 60 7.702 7.702 8.499 -0.797 19789
1627 1 7 . 1 1 61 61 ILE N N 61 118.070 118.070 114.078 3.992 19789
1628 1 7 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.277 -0.930 19789
1629 1 7 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.569 2.288 19789
1630 1 7 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.741 -2.327 19789
1631 1 7 . 1 1 61 61 ILE H H 61 7.358 7.358 7.815 -0.457 19789
1632 1 7 . 1 1 62 62 ASP N N 62 119.384 119.384 122.075 -2.691 19789
1633 1 7 . 1 1 62 62 ASP H H 62 8.683 8.683 8.896 -0.213 19789
1634 1 7 . 1 1 63 63 GLU N N 63 115.866 115.866 118.341 -2.475 19789
1635 1 7 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.055 -0.025 19789
1636 1 7 . 1 1 63 63 GLU H H 63 7.612 7.612 8.338 -0.726 19789
1637 1 7 . 1 1 64 64 VAL N N 64 107.501 107.501 110.662 -3.161 19789
1638 1 7 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.310 0.235 19789
1639 1 7 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.184 0.867 19789
1640 1 7 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.138 1.244 19789
1641 1 7 . 1 1 64 64 VAL H H 64 7.239 7.239 7.246 -0.007 19789
1642 1 7 . 1 1 65 65 ASP N N 65 121.745 121.745 121.473 0.272 19789
1643 1 7 . 1 1 65 65 ASP H H 65 7.584 7.584 7.731 -0.147 19789
1644 1 7 . 1 1 66 66 GLU N N 66 128.227 128.227 119.368 8.859 19789
1645 1 7 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.139 0.047 19789
1646 1 7 . 1 1 66 66 GLU H H 66 8.633 8.633 8.594 0.039 19789
1647 1 7 . 1 1 67 67 ASP N N 67 114.509 114.509 117.654 -3.145 19789
1648 1 7 . 1 1 67 67 ASP H H 67 7.967 7.967 7.781 0.186 19789
1649 1 7 . 1 1 68 68 GLY N N 68 108.897 108.897 110.305 -1.408 19789
1650 1 7 . 1 1 68 68 GLY H H 68 7.765 7.765 8.277 -0.512 19789
1651 1 7 . 1 1 69 69 SER N N 69 116.480 116.480 116.225 0.255 19789
1652 1 7 . 1 1 69 69 SER H H 69 8.452 8.452 8.165 0.287 19789
1653 1 7 . 1 1 70 70 GLY N N 70 116.525 116.525 109.606 6.919 19789
1654 1 7 . 1 1 70 70 GLY H H 70 10.847 10.847 7.864 2.983 19789
1655 1 7 . 1 1 71 71 THR N N 71 107.688 107.688 116.648 -8.960 19789
1656 1 7 . 1 1 71 71 THR HA H 71 4.914 4.914 4.840 0.074 19789
1657 1 7 . 1 1 71 71 THR CA C 71 58.346 58.346 61.340 -2.994 19789
1658 1 7 . 1 1 71 71 THR CB C 71 73.760 73.760 70.324 3.436 19789
1659 1 7 . 1 1 71 71 THR H H 71 7.664 7.664 7.898 -0.234 19789
1660 1 7 . 1 1 72 72 VAL N N 72 126.813 126.813 122.961 3.852 19789
1661 1 7 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.780 0.305 19789
1662 1 7 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.970 -0.390 19789
1663 1 7 . 1 1 72 72 VAL H H 72 9.792 9.792 8.069 1.723 19789
1664 1 7 . 1 1 73 73 ASP N N 73 128.665 128.665 119.063 9.602 19789
1665 1 7 . 1 1 73 73 ASP H H 73 8.746 8.746 8.033 0.713 19789
1666 1 7 . 1 1 74 74 PHE N N 74 118.267 118.267 118.961 -0.694 19789
1667 1 7 . 1 1 74 74 PHE H H 74 8.577 8.577 9.260 -0.683 19789
1668 1 7 . 1 1 75 75 ASP N N 75 117.261 117.261 119.487 -2.226 19789
1669 1 7 . 1 1 75 75 ASP H H 75 7.654 7.654 7.633 0.021 19789
1670 1 7 . 1 1 76 76 GLU N N 76 120.396 120.396 120.622 -0.226 19789
1671 1 7 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.153 -0.126 19789
1672 1 7 . 1 1 76 76 GLU H H 76 8.169 8.169 7.360 0.809 19789
1673 1 7 . 1 1 77 77 PHE N N 77 122.823 122.823 121.307 1.516 19789
1674 1 7 . 1 1 77 77 PHE H H 77 8.984 8.984 9.062 -0.078 19789
1675 1 7 . 1 1 78 78 LEU N N 78 118.595 118.595 118.280 0.315 19789
1676 1 7 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.421 -0.134 19789
1677 1 7 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.722 0.393 19789
1678 1 7 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.510 -0.157 19789
1679 1 7 . 1 1 78 78 LEU H H 78 7.950 7.950 7.548 0.402 19789
1680 1 7 . 1 1 79 79 VAL N N 79 118.101 118.101 118.172 -0.071 19789
1681 1 7 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.475 -0.227 19789
1682 1 7 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.435 0.465 19789
1683 1 7 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.357 -0.458 19789
1684 1 7 . 1 1 79 79 VAL H H 79 6.947 6.947 7.371 -0.424 19789
1685 1 7 . 1 1 80 80 MET N N 80 119.853 119.853 115.924 3.929 19789
1686 1 7 . 1 1 80 80 MET H H 80 7.952 7.952 7.379 0.573 19789
1687 1 7 . 1 1 81 81 MET N N 81 117.448 117.448 115.727 1.721 19789
1688 1 7 . 1 1 81 81 MET H H 81 8.110 8.110 7.908 0.202 19789
1689 1 7 . 1 1 82 82 VAL N N 82 117.627 117.627 119.173 -1.546 19789
1690 1 7 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.507 0.455 19789
1691 1 7 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.012 0.055 19789
1692 1 7 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.481 -0.339 19789
1693 1 7 . 1 1 82 82 VAL H H 82 8.183 8.183 7.307 0.876 19789
1694 1 7 . 1 1 83 83 ARG N N 83 120.495 120.495 119.176 1.319 19789
1695 1 7 . 1 1 83 83 ARG H H 83 8.169 8.169 8.368 -0.199 19789
1696 1 7 . 1 1 84 84 CYS N N 84 113.519 113.519 117.020 -3.501 19789
1697 1 7 . 1 1 84 84 CYS H H 84 7.507 7.507 7.644 -0.137 19789
1698 1 7 . 1 1 85 85 MET N N 85 120.618 120.618 121.271 -0.653 19789
1699 1 7 . 1 1 85 85 MET H H 85 7.661 7.661 7.508 0.153 19789
1700 1 7 . 1 1 86 86 LYS N N 86 120.147 120.147 118.834 1.313 19789
1701 1 7 . 1 1 86 86 LYS H H 86 7.779 7.779 7.971 -0.192 19789
1702 1 8 . 1 1 3 3 ASP N N 3 122.928 122.928 120.290 2.638 19789
1703 1 8 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.299 0.167 19789
1704 1 8 . 1 1 3 3 ASP H H 3 8.538 8.538 8.348 0.190 19789
1705 1 8 . 1 1 4 4 ILE N N 4 119.305 119.305 119.959 -0.654 19789
1706 1 8 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.884 0.027 19789
1707 1 8 . 1 1 4 4 ILE CA C 4 63.825 63.825 61.108 2.717 19789
1708 1 8 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.071 0.570 19789
1709 1 8 . 1 1 4 4 ILE H H 4 8.236 8.236 8.434 -0.198 19789
1710 1 8 . 1 1 5 5 TYR N N 5 120.903 120.903 117.467 3.436 19789
1711 1 8 . 1 1 5 5 TYR H H 5 7.618 7.618 6.943 0.675 19789
1712 1 8 . 1 1 6 6 LYS N N 6 120.946 120.946 121.208 -0.262 19789
1713 1 8 . 1 1 6 6 LYS H H 6 7.894 7.894 7.681 0.213 19789
1714 1 8 . 1 1 7 7 ALA N N 7 120.284 120.284 120.302 -0.018 19789
1715 1 8 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.262 -0.259 19789
1716 1 8 . 1 1 7 7 ALA H H 7 7.934 7.934 7.328 0.606 19789
1717 1 8 . 1 1 8 8 ALA N N 8 119.988 119.988 121.839 -1.851 19789
1718 1 8 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.445 -0.045 19789
1719 1 8 . 1 1 8 8 ALA H H 8 7.501 7.501 7.663 -0.162 19789
1720 1 8 . 1 1 9 9 VAL N N 9 119.175 119.175 116.818 2.357 19789
1721 1 8 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.543 0.017 19789
1722 1 8 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.555 0.821 19789
1723 1 8 . 1 1 9 9 VAL CB C 9 31.756 31.756 30.921 0.835 19789
1724 1 8 . 1 1 9 9 VAL H H 9 8.077 8.077 7.852 0.225 19789
1725 1 8 . 1 1 10 10 GLU N N 10 118.387 118.387 118.085 0.302 19789
1726 1 8 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.064 0.053 19789
1727 1 8 . 1 1 10 10 GLU H H 10 7.802 7.802 7.647 0.155 19789
1728 1 8 . 1 1 11 11 GLN N N 11 114.922 114.922 117.943 -3.021 19789
1729 1 8 . 1 1 11 11 GLN H H 11 7.377 7.377 7.516 -0.139 19789
1730 1 8 . 1 1 12 12 LEU N N 12 120.676 120.676 120.875 -0.199 19789
1731 1 8 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.498 0.021 19789
1732 1 8 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.154 1.049 19789
1733 1 8 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.771 -0.677 19789
1734 1 8 . 1 1 12 12 LEU H H 12 7.388 7.388 7.230 0.158 19789
1735 1 8 . 1 1 13 13 THR N N 13 113.723 113.723 113.037 0.686 19789
1736 1 8 . 1 1 13 13 THR HA H 13 4.438 4.438 4.504 -0.066 19789
1737 1 8 . 1 1 13 13 THR CA C 13 60.944 60.944 60.254 0.690 19789
1738 1 8 . 1 1 13 13 THR H H 13 8.875 8.875 8.187 0.688 19789
1739 1 8 . 1 1 14 14 GLU N N 14 121.739 121.739 122.174 -0.435 19789
1740 1 8 . 1 1 14 14 GLU H H 14 9.003 9.003 9.009 -0.006 19789
1741 1 8 . 1 1 15 15 GLU N N 15 117.808 117.808 118.083 -0.275 19789
1742 1 8 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.127 -0.049 19789
1743 1 8 . 1 1 15 15 GLU H H 15 8.538 8.538 7.762 0.776 19789
1744 1 8 . 1 1 16 16 GLN N N 16 119.080 119.080 118.257 0.823 19789
1745 1 8 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.365 -0.458 19789
1746 1 8 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.217 1.805 19789
1747 1 8 . 1 1 16 16 GLN H H 16 7.875 7.875 8.025 -0.150 19789
1748 1 8 . 1 1 17 17 LYS N N 17 118.934 118.934 121.474 -2.540 19789
1749 1 8 . 1 1 17 17 LYS H H 17 8.650 8.650 8.063 0.587 19789
1750 1 8 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.462 0.095 19789
1751 1 8 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.740 0.301 19789
1752 1 8 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.072 -0.224 19789
1753 1 8 . 1 1 19 19 GLU N N 19 123.449 123.449 119.294 4.155 19789
1754 1 8 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.151 0.031 19789
1755 1 8 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.728 1.429 19789
1756 1 8 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.041 -0.656 19789
1757 1 8 . 1 1 19 19 GLU H H 19 8.131 8.131 8.357 -0.226 19789
1758 1 8 . 1 1 20 20 PHE N N 20 117.873 117.873 120.714 -2.841 19789
1759 1 8 . 1 1 20 20 PHE H H 20 8.645 8.645 8.120 0.525 19789
1760 1 8 . 1 1 21 21 LYS N N 21 122.555 122.555 118.609 3.946 19789
1761 1 8 . 1 1 21 21 LYS H H 21 8.781 8.781 8.260 0.521 19789
1762 1 8 . 1 1 22 22 ALA N N 22 121.657 121.657 121.232 0.425 19789
1763 1 8 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.796 -0.112 19789
1764 1 8 . 1 1 22 22 ALA H H 22 7.844 7.844 7.408 0.436 19789
1765 1 8 . 1 1 23 23 ALA N N 23 119.044 119.044 121.904 -2.860 19789
1766 1 8 . 1 1 23 23 ALA CB C 23 18.439 18.439 17.867 0.572 19789
1767 1 8 . 1 1 23 23 ALA H H 23 8.141 8.141 7.631 0.510 19789
1768 1 8 . 1 1 24 24 PHE N N 24 121.051 121.051 117.069 3.982 19789
1769 1 8 . 1 1 24 24 PHE H H 24 8.942 8.942 7.667 1.275 19789
1770 1 8 . 1 1 25 25 ASP N N 25 116.425 116.425 118.859 -2.434 19789
1771 1 8 . 1 1 25 25 ASP H H 25 8.546 8.546 7.533 1.013 19789
1772 1 8 . 1 1 26 26 ILE N N 26 119.584 119.584 120.831 -1.247 19789
1773 1 8 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.749 -0.016 19789
1774 1 8 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.050 -0.189 19789
1775 1 8 . 1 1 26 26 ILE H H 26 7.314 7.314 7.611 -0.297 19789
1776 1 8 . 1 1 27 27 PHE N N 27 120.837 120.837 118.168 2.669 19789
1777 1 8 . 1 1 27 27 PHE H H 27 8.103 8.103 8.682 -0.579 19789
1778 1 8 . 1 1 28 28 VAL N N 28 107.855 107.855 112.844 -4.989 19789
1779 1 8 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.287 -0.288 19789
1780 1 8 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.366 1.388 19789
1781 1 8 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.840 -0.331 19789
1782 1 8 . 1 1 28 28 VAL H H 28 7.555 7.555 7.290 0.265 19789
1783 1 8 . 1 1 29 29 LEU N N 29 125.187 125.187 124.849 0.338 19789
1784 1 8 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.167 1.236 19789
1785 1 8 . 1 1 29 29 LEU H H 29 7.229 7.229 7.289 -0.060 19789
1786 1 8 . 1 1 30 30 GLY N N 30 111.816 111.816 110.950 0.866 19789
1787 1 8 . 1 1 30 30 GLY H H 30 8.799 8.799 8.175 0.624 19789
1788 1 8 . 1 1 31 31 ALA N N 31 124.151 124.151 121.465 2.686 19789
1789 1 8 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.922 -0.149 19789
1790 1 8 . 1 1 31 31 ALA H H 31 7.946 7.946 7.558 0.388 19789
1791 1 8 . 1 1 32 32 GLU N N 32 124.621 124.621 120.152 4.469 19789
1792 1 8 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.293 -0.208 19789
1793 1 8 . 1 1 32 32 GLU H H 32 9.102 9.102 8.483 0.619 19789
1794 1 8 . 1 1 33 33 ASP N N 33 115.935 115.935 117.800 -1.865 19789
1795 1 8 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.734 0.000 19789
1796 1 8 . 1 1 33 33 ASP H H 33 8.199 8.199 8.380 -0.181 19789
1797 1 8 . 1 1 34 34 GLY N N 34 105.713 105.713 108.713 -3.000 19789
1798 1 8 . 1 1 34 34 GLY H H 34 7.653 7.653 8.305 -0.652 19789
1799 1 8 . 1 1 35 35 CYS N N 35 113.447 113.447 117.152 -3.705 19789
1800 1 8 . 1 1 35 35 CYS H H 35 7.621 7.621 7.569 0.052 19789
1801 1 8 . 1 1 36 36 ILE N N 36 119.384 119.384 115.710 3.674 19789
1802 1 8 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.399 -0.533 19789
1803 1 8 . 1 1 36 36 ILE CB C 36 39.464 39.464 40.131 -0.667 19789
1804 1 8 . 1 1 36 36 ILE H H 36 8.793 8.793 7.979 0.814 19789
1805 1 8 . 1 1 37 37 SER N N 37 125.951 125.951 117.818 8.133 19789
1806 1 8 . 1 1 37 37 SER H H 37 9.421 9.421 8.732 0.689 19789
1807 1 8 . 1 1 38 38 THR N N 38 112.286 112.286 113.493 -1.207 19789
1808 1 8 . 1 1 38 38 THR HA H 38 3.726 3.726 3.686 0.040 19789
1809 1 8 . 1 1 38 38 THR CA C 38 66.708 66.708 65.082 1.625 19789
1810 1 8 . 1 1 38 38 THR H H 38 8.816 8.816 8.132 0.684 19789
1811 1 8 . 1 1 39 39 LYS N N 39 122.672 122.672 120.799 1.873 19789
1812 1 8 . 1 1 39 39 LYS H H 39 8.016 8.016 8.515 -0.499 19789
1813 1 8 . 1 1 40 40 GLU N N 40 119.098 119.098 116.749 2.349 19789
1814 1 8 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.161 0.023 19789
1815 1 8 . 1 1 40 40 GLU H H 40 7.705 7.705 8.239 -0.534 19789
1816 1 8 . 1 1 41 41 LEU N N 41 119.205 119.205 120.188 -0.983 19789
1817 1 8 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.469 0.641 19789
1818 1 8 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.664 0.024 19789
1819 1 8 . 1 1 41 41 LEU CB C 41 42.510 42.510 40.575 1.935 19789
1820 1 8 . 1 1 41 41 LEU H H 41 8.356 8.356 7.873 0.483 19789
1821 1 8 . 1 1 42 42 GLY N N 42 105.741 105.741 105.942 -0.201 19789
1822 1 8 . 1 1 42 42 GLY H H 42 8.422 8.422 8.293 0.129 19789
1823 1 8 . 1 1 43 43 LYS N N 43 120.666 120.666 121.166 -0.500 19789
1824 1 8 . 1 1 43 43 LYS H H 43 7.265 7.265 7.803 -0.538 19789
1825 1 8 . 1 1 44 44 VAL N N 44 119.328 119.328 115.447 3.881 19789
1826 1 8 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.907 -0.451 19789
1827 1 8 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.052 1.335 19789
1828 1 8 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.976 0.660 19789
1829 1 8 . 1 1 44 44 VAL H H 44 7.488 7.488 7.968 -0.480 19789
1830 1 8 . 1 1 45 45 MET N N 45 116.122 116.122 120.660 -4.538 19789
1831 1 8 . 1 1 45 45 MET HA H 45 4.171 4.171 4.047 0.124 19789
1832 1 8 . 1 1 45 45 MET H H 45 8.357 8.357 8.141 0.216 19789
1833 1 8 . 1 1 46 46 ARG N N 46 118.799 118.799 119.065 -0.266 19789
1834 1 8 . 1 1 46 46 ARG H H 46 8.115 8.115 7.727 0.388 19789
1835 1 8 . 1 1 47 47 MET N N 47 122.183 122.183 116.285 5.898 19789
1836 1 8 . 1 1 47 47 MET HA H 47 4.233 4.233 4.291 -0.058 19789
1837 1 8 . 1 1 47 47 MET H H 47 7.866 7.866 7.603 0.263 19789
1838 1 8 . 1 1 48 48 LEU N N 48 117.213 117.213 118.722 -1.509 19789
1839 1 8 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.225 0.132 19789
1840 1 8 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.475 -0.797 19789
1841 1 8 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.732 -1.105 19789
1842 1 8 . 1 1 48 48 LEU H H 48 7.499 7.499 7.715 -0.216 19789
1843 1 8 . 1 1 49 49 GLY N N 49 107.154 107.154 105.848 1.306 19789
1844 1 8 . 1 1 49 49 GLY H H 49 7.841 7.841 7.763 0.078 19789
1845 1 8 . 1 1 50 50 GLN N N 50 118.411 118.411 118.719 -0.308 19789
1846 1 8 . 1 1 50 50 GLN H H 50 8.014 8.014 8.064 -0.050 19789
1847 1 8 . 1 1 51 51 ASN N N 51 116.615 116.615 116.973 -0.358 19789
1848 1 8 . 1 1 51 51 ASN H H 51 8.716 8.716 8.435 0.281 19789
1849 1 8 . 1 1 53 53 THR N N 53 113.821 113.821 112.113 1.708 19789
1850 1 8 . 1 1 53 53 THR H H 53 8.801 8.801 8.022 0.779 19789
1851 1 8 . 1 1 55 55 GLU N N 55 117.313 117.313 118.701 -1.388 19789
1852 1 8 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.225 -0.203 19789
1853 1 8 . 1 1 55 55 GLU H H 55 8.751 8.751 8.543 0.208 19789
1854 1 8 . 1 1 56 56 GLU N N 56 121.618 121.618 120.029 1.589 19789
1855 1 8 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.232 -0.234 19789
1856 1 8 . 1 1 56 56 GLU H H 56 7.803 7.803 7.576 0.227 19789
1857 1 8 . 1 1 57 57 LEU N N 57 119.131 119.131 121.515 -2.384 19789
1858 1 8 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.859 0.189 19789
1859 1 8 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.561 -0.714 19789
1860 1 8 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.326 1.317 19789
1861 1 8 . 1 1 57 57 LEU H H 57 8.179 8.179 8.686 -0.507 19789
1862 1 8 . 1 1 58 58 GLN N N 58 117.777 117.777 117.467 0.310 19789
1863 1 8 . 1 1 58 58 GLN H H 58 7.945 7.945 8.427 -0.482 19789
1864 1 8 . 1 1 59 59 GLU N N 59 119.087 119.087 120.439 -1.352 19789
1865 1 8 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.980 0.067 19789
1866 1 8 . 1 1 59 59 GLU H H 59 7.887 7.887 8.702 -0.815 19789
1867 1 8 . 1 1 60 60 MET N N 60 117.618 117.618 115.004 2.614 19789
1868 1 8 . 1 1 60 60 MET HA H 60 3.921 3.921 4.255 -0.334 19789
1869 1 8 . 1 1 60 60 MET H H 60 7.702 7.702 8.652 -0.950 19789
1870 1 8 . 1 1 61 61 ILE N N 61 118.070 118.070 117.467 0.603 19789
1871 1 8 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.210 -0.863 19789
1872 1 8 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.380 2.477 19789
1873 1 8 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.911 -2.497 19789
1874 1 8 . 1 1 61 61 ILE H H 61 7.358 7.358 7.697 -0.339 19789
1875 1 8 . 1 1 62 62 ASP N N 62 119.384 119.384 121.464 -2.080 19789
1876 1 8 . 1 1 62 62 ASP H H 62 8.683 8.683 8.949 -0.266 19789
1877 1 8 . 1 1 63 63 GLU N N 63 115.866 115.866 118.159 -2.293 19789
1878 1 8 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.251 -0.221 19789
1879 1 8 . 1 1 63 63 GLU H H 63 7.612 7.612 7.894 -0.282 19789
1880 1 8 . 1 1 64 64 VAL N N 64 107.501 107.501 112.374 -4.873 19789
1881 1 8 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.339 0.206 19789
1882 1 8 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.040 1.011 19789
1883 1 8 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.714 0.668 19789
1884 1 8 . 1 1 64 64 VAL H H 64 7.239 7.239 7.523 -0.284 19789
1885 1 8 . 1 1 65 65 ASP N N 65 121.745 121.745 122.464 -0.719 19789
1886 1 8 . 1 1 65 65 ASP H H 65 7.584 7.584 7.753 -0.169 19789
1887 1 8 . 1 1 66 66 GLU N N 66 128.227 128.227 122.936 5.291 19789
1888 1 8 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.328 -0.142 19789
1889 1 8 . 1 1 66 66 GLU H H 66 8.633 8.633 8.283 0.350 19789
1890 1 8 . 1 1 67 67 ASP N N 67 114.509 114.509 118.853 -4.344 19789
1891 1 8 . 1 1 67 67 ASP H H 67 7.967 7.967 8.367 -0.400 19789
1892 1 8 . 1 1 68 68 GLY N N 68 108.897 108.897 109.620 -0.723 19789
1893 1 8 . 1 1 68 68 GLY H H 68 7.765 7.765 8.496 -0.731 19789
1894 1 8 . 1 1 69 69 SER N N 69 116.480 116.480 116.525 -0.045 19789
1895 1 8 . 1 1 69 69 SER H H 69 8.452 8.452 9.458 -1.006 19789
1896 1 8 . 1 1 70 70 GLY N N 70 116.525 116.525 110.478 6.047 19789
1897 1 8 . 1 1 70 70 GLY H H 70 10.847 10.847 8.137 2.710 19789
1898 1 8 . 1 1 71 71 THR N N 71 107.688 107.688 114.758 -7.070 19789
1899 1 8 . 1 1 71 71 THR HA H 71 4.914 4.914 4.841 0.073 19789
1900 1 8 . 1 1 71 71 THR CA C 71 58.346 58.346 60.412 -2.066 19789
1901 1 8 . 1 1 71 71 THR CB C 71 73.760 73.760 71.905 1.855 19789
1902 1 8 . 1 1 71 71 THR H H 71 7.664 7.664 7.544 0.120 19789
1903 1 8 . 1 1 72 72 VAL N N 72 126.813 126.813 121.140 5.673 19789
1904 1 8 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.942 0.143 19789
1905 1 8 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.492 -0.911 19789
1906 1 8 . 1 1 72 72 VAL H H 72 9.792 9.792 7.781 2.011 19789
1907 1 8 . 1 1 73 73 ASP N N 73 128.665 128.665 124.615 4.050 19789
1908 1 8 . 1 1 73 73 ASP H H 73 8.746 8.746 8.083 0.663 19789
1909 1 8 . 1 1 74 74 PHE N N 74 118.267 118.267 117.912 0.355 19789
1910 1 8 . 1 1 74 74 PHE H H 74 8.577 8.577 9.180 -0.603 19789
1911 1 8 . 1 1 75 75 ASP N N 75 117.261 117.261 119.034 -1.773 19789
1912 1 8 . 1 1 75 75 ASP H H 75 7.654 7.654 7.571 0.083 19789
1913 1 8 . 1 1 76 76 GLU N N 76 120.396 120.396 120.869 -0.473 19789
1914 1 8 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.152 -0.125 19789
1915 1 8 . 1 1 76 76 GLU H H 76 8.169 8.169 7.789 0.380 19789
1916 1 8 . 1 1 77 77 PHE N N 77 122.823 122.823 121.004 1.819 19789
1917 1 8 . 1 1 77 77 PHE H H 77 8.984 8.984 9.053 -0.069 19789
1918 1 8 . 1 1 78 78 LEU N N 78 118.595 118.595 117.753 0.842 19789
1919 1 8 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.880 -0.593 19789
1920 1 8 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.004 0.111 19789
1921 1 8 . 1 1 78 78 LEU CB C 78 41.353 41.353 40.176 1.177 19789
1922 1 8 . 1 1 78 78 LEU H H 78 7.950 7.950 7.716 0.234 19789
1923 1 8 . 1 1 79 79 VAL N N 79 118.101 118.101 118.233 -0.132 19789
1924 1 8 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.650 -0.402 19789
1925 1 8 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.397 0.503 19789
1926 1 8 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.114 -0.215 19789
1927 1 8 . 1 1 79 79 VAL H H 79 6.947 6.947 7.474 -0.527 19789
1928 1 8 . 1 1 80 80 MET N N 80 119.853 119.853 117.305 2.548 19789
1929 1 8 . 1 1 80 80 MET H H 80 7.952 7.952 8.098 -0.146 19789
1930 1 8 . 1 1 81 81 MET N N 81 117.448 117.448 116.225 1.223 19789
1931 1 8 . 1 1 81 81 MET H H 81 8.110 8.110 7.553 0.557 19789
1932 1 8 . 1 1 82 82 VAL N N 82 117.627 117.627 120.205 -2.578 19789
1933 1 8 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.635 0.327 19789
1934 1 8 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.154 -0.088 19789
1935 1 8 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.463 -0.321 19789
1936 1 8 . 1 1 82 82 VAL H H 82 8.183 8.183 7.563 0.620 19789
1937 1 8 . 1 1 83 83 ARG N N 83 120.495 120.495 120.243 0.252 19789
1938 1 8 . 1 1 83 83 ARG H H 83 8.169 8.169 8.263 -0.094 19789
1939 1 8 . 1 1 84 84 CYS N N 84 113.519 113.519 116.868 -3.349 19789
1940 1 8 . 1 1 84 84 CYS H H 84 7.507 7.507 7.716 -0.209 19789
1941 1 8 . 1 1 85 85 MET N N 85 120.618 120.618 120.970 -0.352 19789
1942 1 8 . 1 1 85 85 MET H H 85 7.661 7.661 7.581 0.080 19789
1943 1 8 . 1 1 86 86 LYS N N 86 120.147 120.147 118.064 2.083 19789
1944 1 8 . 1 1 86 86 LYS H H 86 7.779 7.779 8.024 -0.245 19789
1945 1 9 . 1 1 3 3 ASP N N 3 122.928 122.928 121.972 0.956 19789
1946 1 9 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.925 -0.459 19789
1947 1 9 . 1 1 3 3 ASP H H 3 8.538 8.538 8.564 -0.026 19789
1948 1 9 . 1 1 4 4 ILE N N 4 119.305 119.305 120.872 -1.567 19789
1949 1 9 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.789 0.122 19789
1950 1 9 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.289 1.536 19789
1951 1 9 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.898 -0.257 19789
1952 1 9 . 1 1 4 4 ILE H H 4 8.236 8.236 8.261 -0.025 19789
1953 1 9 . 1 1 5 5 TYR N N 5 120.903 120.903 118.995 1.908 19789
1954 1 9 . 1 1 5 5 TYR H H 5 7.618 7.618 7.453 0.165 19789
1955 1 9 . 1 1 6 6 LYS N N 6 120.946 120.946 120.631 0.315 19789
1956 1 9 . 1 1 6 6 LYS H H 6 7.894 7.894 8.647 -0.753 19789
1957 1 9 . 1 1 7 7 ALA N N 7 120.284 120.284 120.409 -0.125 19789
1958 1 9 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.295 -0.292 19789
1959 1 9 . 1 1 7 7 ALA H H 7 7.934 7.934 7.491 0.443 19789
1960 1 9 . 1 1 8 8 ALA N N 8 119.988 119.988 121.804 -1.816 19789
1961 1 9 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.444 -0.044 19789
1962 1 9 . 1 1 8 8 ALA H H 8 7.501 7.501 7.648 -0.147 19789
1963 1 9 . 1 1 9 9 VAL N N 9 119.175 119.175 116.619 2.556 19789
1964 1 9 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.501 0.059 19789
1965 1 9 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.004 0.372 19789
1966 1 9 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.427 0.329 19789
1967 1 9 . 1 1 9 9 VAL H H 9 8.077 8.077 7.728 0.349 19789
1968 1 9 . 1 1 10 10 GLU N N 10 118.387 118.387 118.371 0.016 19789
1969 1 9 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.028 0.089 19789
1970 1 9 . 1 1 10 10 GLU H H 10 7.802 7.802 7.650 0.152 19789
1971 1 9 . 1 1 11 11 GLN N N 11 114.922 114.922 118.913 -3.991 19789
1972 1 9 . 1 1 11 11 GLN H H 11 7.377 7.377 7.482 -0.105 19789
1973 1 9 . 1 1 12 12 LEU N N 12 120.676 120.676 116.895 3.781 19789
1974 1 9 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.796 -0.277 19789
1975 1 9 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.507 1.696 19789
1976 1 9 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.225 -0.131 19789
1977 1 9 . 1 1 12 12 LEU H H 12 7.388 7.388 7.239 0.149 19789
1978 1 9 . 1 1 13 13 THR N N 13 113.723 113.723 116.341 -2.618 19789
1979 1 9 . 1 1 13 13 THR HA H 13 4.438 4.438 4.536 -0.098 19789
1980 1 9 . 1 1 13 13 THR CA C 13 60.944 60.944 60.329 0.615 19789
1981 1 9 . 1 1 13 13 THR H H 13 8.875 8.875 8.147 0.728 19789
1982 1 9 . 1 1 14 14 GLU N N 14 121.739 121.739 121.674 0.065 19789
1983 1 9 . 1 1 14 14 GLU H H 14 9.003 9.003 8.874 0.129 19789
1984 1 9 . 1 1 15 15 GLU N N 15 117.808 117.808 118.514 -0.706 19789
1985 1 9 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.159 -0.081 19789
1986 1 9 . 1 1 15 15 GLU H H 15 8.538 8.538 8.578 -0.040 19789
1987 1 9 . 1 1 16 16 GLN N N 16 119.080 119.080 118.007 1.073 19789
1988 1 9 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.323 -0.416 19789
1989 1 9 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.252 1.770 19789
1990 1 9 . 1 1 16 16 GLN H H 16 7.875 7.875 7.901 -0.026 19789
1991 1 9 . 1 1 17 17 LYS N N 17 118.934 118.934 121.539 -2.605 19789
1992 1 9 . 1 1 17 17 LYS H H 17 8.650 8.650 8.047 0.603 19789
1993 1 9 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.514 0.043 19789
1994 1 9 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.178 -0.138 19789
1995 1 9 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.483 -0.635 19789
1996 1 9 . 1 1 19 19 GLU N N 19 123.449 123.449 118.030 5.419 19789
1997 1 9 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.222 -0.040 19789
1998 1 9 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.475 1.682 19789
1999 1 9 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.140 -0.755 19789
2000 1 9 . 1 1 19 19 GLU H H 19 8.131 8.131 8.376 -0.245 19789
2001 1 9 . 1 1 20 20 PHE N N 20 117.873 117.873 120.887 -3.014 19789
2002 1 9 . 1 1 20 20 PHE H H 20 8.645 8.645 8.182 0.463 19789
2003 1 9 . 1 1 21 21 LYS N N 21 122.555 122.555 119.407 3.148 19789
2004 1 9 . 1 1 21 21 LYS H H 21 8.781 8.781 8.928 -0.147 19789
2005 1 9 . 1 1 22 22 ALA N N 22 121.657 121.657 121.862 -0.205 19789
2006 1 9 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.177 -0.494 19789
2007 1 9 . 1 1 22 22 ALA H H 22 7.844 7.844 7.394 0.451 19789
2008 1 9 . 1 1 23 23 ALA N N 23 119.044 119.044 121.880 -2.836 19789
2009 1 9 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.067 0.372 19789
2010 1 9 . 1 1 23 23 ALA H H 23 8.141 8.141 7.550 0.591 19789
2011 1 9 . 1 1 24 24 PHE N N 24 121.051 121.051 117.256 3.795 19789
2012 1 9 . 1 1 24 24 PHE H H 24 8.942 8.942 7.862 1.080 19789
2013 1 9 . 1 1 25 25 ASP N N 25 116.425 116.425 118.947 -2.522 19789
2014 1 9 . 1 1 25 25 ASP H H 25 8.546 8.546 7.612 0.934 19789
2015 1 9 . 1 1 26 26 ILE N N 26 119.584 119.584 120.793 -1.209 19789
2016 1 9 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.722 0.011 19789
2017 1 9 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.033 -0.172 19789
2018 1 9 . 1 1 26 26 ILE H H 26 7.314 7.314 7.614 -0.300 19789
2019 1 9 . 1 1 27 27 PHE N N 27 120.837 120.837 117.991 2.846 19789
2020 1 9 . 1 1 27 27 PHE H H 27 8.103 8.103 8.625 -0.522 19789
2021 1 9 . 1 1 28 28 VAL N N 28 107.855 107.855 112.894 -5.039 19789
2022 1 9 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.248 -0.249 19789
2023 1 9 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.341 1.413 19789
2024 1 9 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.671 -0.162 19789
2025 1 9 . 1 1 28 28 VAL H H 28 7.555 7.555 7.200 0.355 19789
2026 1 9 . 1 1 29 29 LEU N N 29 125.187 125.187 124.394 0.793 19789
2027 1 9 . 1 1 29 29 LEU CB C 29 41.403 41.403 39.960 1.443 19789
2028 1 9 . 1 1 29 29 LEU H H 29 7.229 7.229 7.289 -0.060 19789
2029 1 9 . 1 1 30 30 GLY N N 30 111.816 111.816 110.260 1.556 19789
2030 1 9 . 1 1 30 30 GLY H H 30 8.799 8.799 8.167 0.632 19789
2031 1 9 . 1 1 31 31 ALA N N 31 124.151 124.151 121.722 2.429 19789
2032 1 9 . 1 1 31 31 ALA CB C 31 19.773 19.773 20.007 -0.234 19789
2033 1 9 . 1 1 31 31 ALA H H 31 7.946 7.946 7.489 0.457 19789
2034 1 9 . 1 1 32 32 GLU N N 32 124.621 124.621 119.958 4.663 19789
2035 1 9 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.297 -0.212 19789
2036 1 9 . 1 1 32 32 GLU H H 32 9.102 9.102 8.777 0.325 19789
2037 1 9 . 1 1 33 33 ASP N N 33 115.935 115.935 120.192 -4.257 19789
2038 1 9 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.693 0.041 19789
2039 1 9 . 1 1 33 33 ASP H H 33 8.199 8.199 8.439 -0.240 19789
2040 1 9 . 1 1 34 34 GLY N N 34 105.713 105.713 108.057 -2.344 19789
2041 1 9 . 1 1 34 34 GLY H H 34 7.653 7.653 8.072 -0.419 19789
2042 1 9 . 1 1 35 35 CYS N N 35 113.447 113.447 116.826 -3.379 19789
2043 1 9 . 1 1 35 35 CYS H H 35 7.621 7.621 7.749 -0.128 19789
2044 1 9 . 1 1 36 36 ILE N N 36 119.384 119.384 118.427 0.957 19789
2045 1 9 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.184 -0.318 19789
2046 1 9 . 1 1 36 36 ILE CB C 36 39.464 39.464 42.189 -2.725 19789
2047 1 9 . 1 1 36 36 ILE H H 36 8.793 8.793 8.438 0.355 19789
2048 1 9 . 1 1 37 37 SER N N 37 125.951 125.951 118.629 7.322 19789
2049 1 9 . 1 1 37 37 SER H H 37 9.421 9.421 8.645 0.776 19789
2050 1 9 . 1 1 38 38 THR N N 38 112.286 112.286 117.249 -4.963 19789
2051 1 9 . 1 1 38 38 THR HA H 38 3.726 3.726 3.741 -0.015 19789
2052 1 9 . 1 1 38 38 THR CA C 38 66.708 66.708 65.613 1.095 19789
2053 1 9 . 1 1 38 38 THR H H 38 8.816 8.816 8.186 0.630 19789
2054 1 9 . 1 1 39 39 LYS N N 39 122.672 122.672 119.571 3.101 19789
2055 1 9 . 1 1 39 39 LYS H H 39 8.016 8.016 8.446 -0.430 19789
2056 1 9 . 1 1 40 40 GLU N N 40 119.098 119.098 117.385 1.713 19789
2057 1 9 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.192 -0.008 19789
2058 1 9 . 1 1 40 40 GLU H H 40 7.705 7.705 8.285 -0.580 19789
2059 1 9 . 1 1 41 41 LEU N N 41 119.205 119.205 120.911 -1.706 19789
2060 1 9 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.307 0.803 19789
2061 1 9 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.261 0.427 19789
2062 1 9 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.498 1.012 19789
2063 1 9 . 1 1 41 41 LEU H H 41 8.356 8.356 7.864 0.492 19789
2064 1 9 . 1 1 42 42 GLY N N 42 105.741 105.741 105.608 0.133 19789
2065 1 9 . 1 1 42 42 GLY H H 42 8.422 8.422 8.413 0.009 19789
2066 1 9 . 1 1 43 43 LYS N N 43 120.666 120.666 121.179 -0.513 19789
2067 1 9 . 1 1 43 43 LYS H H 43 7.265 7.265 7.757 -0.492 19789
2068 1 9 . 1 1 44 44 VAL N N 44 119.328 119.328 115.175 4.153 19789
2069 1 9 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.788 -0.332 19789
2070 1 9 . 1 1 44 44 VAL CA C 44 66.387 66.387 66.002 0.385 19789
2071 1 9 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.547 0.089 19789
2072 1 9 . 1 1 44 44 VAL H H 44 7.488 7.488 7.883 -0.395 19789
2073 1 9 . 1 1 45 45 MET N N 45 116.122 116.122 120.866 -4.744 19789
2074 1 9 . 1 1 45 45 MET HA H 45 4.171 4.171 4.003 0.168 19789
2075 1 9 . 1 1 45 45 MET H H 45 8.357 8.357 7.172 1.185 19789
2076 1 9 . 1 1 46 46 ARG N N 46 118.799 118.799 119.099 -0.300 19789
2077 1 9 . 1 1 46 46 ARG H H 46 8.115 8.115 7.656 0.459 19789
2078 1 9 . 1 1 47 47 MET N N 47 122.183 122.183 116.196 5.987 19789
2079 1 9 . 1 1 47 47 MET HA H 47 4.233 4.233 4.253 -0.020 19789
2080 1 9 . 1 1 47 47 MET H H 47 7.866 7.866 7.769 0.097 19789
2081 1 9 . 1 1 48 48 LEU N N 48 117.213 117.213 119.183 -1.970 19789
2082 1 9 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.220 0.137 19789
2083 1 9 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.665 -0.987 19789
2084 1 9 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.720 -1.093 19789
2085 1 9 . 1 1 48 48 LEU H H 48 7.499 7.499 7.690 -0.191 19789
2086 1 9 . 1 1 49 49 GLY N N 49 107.154 107.154 104.867 2.287 19789
2087 1 9 . 1 1 49 49 GLY H H 49 7.841 7.841 7.784 0.057 19789
2088 1 9 . 1 1 50 50 GLN N N 50 118.411 118.411 118.209 0.202 19789
2089 1 9 . 1 1 50 50 GLN H H 50 8.014 8.014 8.004 0.010 19789
2090 1 9 . 1 1 51 51 ASN N N 51 116.615 116.615 116.363 0.252 19789
2091 1 9 . 1 1 51 51 ASN H H 51 8.716 8.716 8.474 0.242 19789
2092 1 9 . 1 1 53 53 THR N N 53 113.821 113.821 113.335 0.486 19789
2093 1 9 . 1 1 53 53 THR H H 53 8.801 8.801 8.373 0.428 19789
2094 1 9 . 1 1 55 55 GLU N N 55 117.313 117.313 119.287 -1.974 19789
2095 1 9 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.203 -0.181 19789
2096 1 9 . 1 1 55 55 GLU H H 55 8.751 8.751 8.698 0.053 19789
2097 1 9 . 1 1 56 56 GLU N N 56 121.618 121.618 119.100 2.518 19789
2098 1 9 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.191 -0.193 19789
2099 1 9 . 1 1 56 56 GLU H H 56 7.803 7.803 7.792 0.011 19789
2100 1 9 . 1 1 57 57 LEU N N 57 119.131 119.131 121.313 -2.182 19789
2101 1 9 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.910 0.138 19789
2102 1 9 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.349 -0.502 19789
2103 1 9 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.807 0.836 19789
2104 1 9 . 1 1 57 57 LEU H H 57 8.179 8.179 8.700 -0.521 19789
2105 1 9 . 1 1 58 58 GLN N N 58 117.777 117.777 117.237 0.540 19789
2106 1 9 . 1 1 58 58 GLN H H 58 7.945 7.945 8.216 -0.271 19789
2107 1 9 . 1 1 59 59 GLU N N 59 119.087 119.087 120.859 -1.772 19789
2108 1 9 . 1 1 59 59 GLU HA H 59 4.047 4.047 4.025 0.022 19789
2109 1 9 . 1 1 59 59 GLU H H 59 7.887 7.887 8.722 -0.835 19789
2110 1 9 . 1 1 60 60 MET N N 60 117.618 117.618 114.456 3.162 19789
2111 1 9 . 1 1 60 60 MET HA H 60 3.921 3.921 4.473 -0.552 19789
2112 1 9 . 1 1 60 60 MET H H 60 7.702 7.702 8.300 -0.598 19789
2113 1 9 . 1 1 61 61 ILE N N 61 118.070 118.070 116.564 1.506 19789
2114 1 9 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.094 -0.747 19789
2115 1 9 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.842 2.015 19789
2116 1 9 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.179 -1.765 19789
2117 1 9 . 1 1 61 61 ILE H H 61 7.358 7.358 7.813 -0.455 19789
2118 1 9 . 1 1 62 62 ASP N N 62 119.384 119.384 120.976 -1.592 19789
2119 1 9 . 1 1 62 62 ASP H H 62 8.683 8.683 8.961 -0.278 19789
2120 1 9 . 1 1 63 63 GLU N N 63 115.866 115.866 118.081 -2.215 19789
2121 1 9 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.110 -0.080 19789
2122 1 9 . 1 1 63 63 GLU H H 63 7.612 7.612 8.083 -0.471 19789
2123 1 9 . 1 1 64 64 VAL N N 64 107.501 107.501 111.507 -4.006 19789
2124 1 9 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.367 0.178 19789
2125 1 9 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.521 0.530 19789
2126 1 9 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.997 0.385 19789
2127 1 9 . 1 1 64 64 VAL H H 64 7.239 7.239 7.371 -0.132 19789
2128 1 9 . 1 1 65 65 ASP N N 65 121.745 121.745 122.577 -0.832 19789
2129 1 9 . 1 1 65 65 ASP H H 65 7.584 7.584 7.940 -0.356 19789
2130 1 9 . 1 1 66 66 GLU N N 66 128.227 128.227 122.762 5.465 19789
2131 1 9 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.358 -0.172 19789
2132 1 9 . 1 1 66 66 GLU H H 66 8.633 8.633 8.457 0.176 19789
2133 1 9 . 1 1 67 67 ASP N N 67 114.509 114.509 119.213 -4.704 19789
2134 1 9 . 1 1 67 67 ASP H H 67 7.967 7.967 8.177 -0.210 19789
2135 1 9 . 1 1 68 68 GLY N N 68 108.897 108.897 108.262 0.635 19789
2136 1 9 . 1 1 68 68 GLY H H 68 7.765 7.765 8.009 -0.244 19789
2137 1 9 . 1 1 69 69 SER N N 69 116.480 116.480 117.008 -0.528 19789
2138 1 9 . 1 1 69 69 SER H H 69 8.452 8.452 8.243 0.209 19789
2139 1 9 . 1 1 70 70 GLY N N 70 116.525 116.525 111.140 5.385 19789
2140 1 9 . 1 1 70 70 GLY H H 70 10.847 10.847 8.176 2.671 19789
2141 1 9 . 1 1 71 71 THR N N 71 107.688 107.688 116.395 -8.707 19789
2142 1 9 . 1 1 71 71 THR HA H 71 4.914 4.914 5.334 -0.420 19789
2143 1 9 . 1 1 71 71 THR CA C 71 58.346 58.346 60.836 -2.490 19789
2144 1 9 . 1 1 71 71 THR CB C 71 73.760 73.760 70.906 2.854 19789
2145 1 9 . 1 1 71 71 THR H H 71 7.664 7.664 7.504 0.160 19789
2146 1 9 . 1 1 72 72 VAL N N 72 126.813 126.813 124.588 2.225 19789
2147 1 9 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.674 0.411 19789
2148 1 9 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.798 -1.218 19789
2149 1 9 . 1 1 72 72 VAL H H 72 9.792 9.792 7.981 1.811 19789
2150 1 9 . 1 1 73 73 ASP N N 73 128.665 128.665 120.533 8.132 19789
2151 1 9 . 1 1 73 73 ASP H H 73 8.746 8.746 8.091 0.655 19789
2152 1 9 . 1 1 74 74 PHE N N 74 118.267 118.267 118.459 -0.192 19789
2153 1 9 . 1 1 74 74 PHE H H 74 8.577 8.577 9.271 -0.694 19789
2154 1 9 . 1 1 75 75 ASP N N 75 117.261 117.261 118.976 -1.715 19789
2155 1 9 . 1 1 75 75 ASP H H 75 7.654 7.654 7.591 0.063 19789
2156 1 9 . 1 1 76 76 GLU N N 76 120.396 120.396 120.935 -0.539 19789
2157 1 9 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.128 -0.102 19789
2158 1 9 . 1 1 76 76 GLU H H 76 8.169 8.169 7.831 0.338 19789
2159 1 9 . 1 1 77 77 PHE N N 77 122.823 122.823 121.297 1.526 19789
2160 1 9 . 1 1 77 77 PHE H H 77 8.984 8.984 9.208 -0.224 19789
2161 1 9 . 1 1 78 78 LEU N N 78 118.595 118.595 119.100 -0.505 19789
2162 1 9 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.781 -0.494 19789
2163 1 9 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.856 0.259 19789
2164 1 9 . 1 1 78 78 LEU CB C 78 41.353 41.353 40.711 0.642 19789
2165 1 9 . 1 1 78 78 LEU H H 78 7.950 7.950 7.724 0.226 19789
2166 1 9 . 1 1 79 79 VAL N N 79 118.101 118.101 118.934 -0.833 19789
2167 1 9 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.448 -0.200 19789
2168 1 9 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.629 0.271 19789
2169 1 9 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.478 -0.579 19789
2170 1 9 . 1 1 79 79 VAL H H 79 6.947 6.947 7.359 -0.412 19789
2171 1 9 . 1 1 80 80 MET N N 80 119.853 119.853 117.909 1.944 19789
2172 1 9 . 1 1 80 80 MET H H 80 7.952 7.952 7.652 0.300 19789
2173 1 9 . 1 1 81 81 MET N N 81 117.448 117.448 116.635 0.813 19789
2174 1 9 . 1 1 81 81 MET H H 81 8.110 8.110 7.875 0.235 19789
2175 1 9 . 1 1 82 82 VAL N N 82 117.627 117.627 121.682 -4.055 19789
2176 1 9 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.574 0.388 19789
2177 1 9 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.416 -0.349 19789
2178 1 9 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.531 -0.389 19789
2179 1 9 . 1 1 82 82 VAL H H 82 8.183 8.183 7.513 0.669 19789
2180 1 9 . 1 1 83 83 ARG N N 83 120.495 120.495 120.221 0.274 19789
2181 1 9 . 1 1 83 83 ARG H H 83 8.169 8.169 8.450 -0.281 19789
2182 1 9 . 1 1 84 84 CYS N N 84 113.519 113.519 113.745 -0.226 19789
2183 1 9 . 1 1 84 84 CYS H H 84 7.507 7.507 7.638 -0.131 19789
2184 1 9 . 1 1 85 85 MET N N 85 120.618 120.618 122.082 -1.464 19789
2185 1 9 . 1 1 85 85 MET H H 85 7.661 7.661 7.682 -0.021 19789
2186 1 9 . 1 1 86 86 LYS N N 86 120.147 120.147 118.131 2.016 19789
2187 1 9 . 1 1 86 86 LYS H H 86 7.779 7.779 8.031 -0.252 19789
2188 1 10 . 1 1 3 3 ASP N N 3 122.928 122.928 121.374 1.554 19789
2189 1 10 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.464 0.002 19789
2190 1 10 . 1 1 3 3 ASP H H 3 8.538 8.538 8.506 0.032 19789
2191 1 10 . 1 1 4 4 ILE N N 4 119.305 119.305 120.499 -1.194 19789
2192 1 10 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.879 0.032 19789
2193 1 10 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.792 1.033 19789
2194 1 10 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.090 -0.449 19789
2195 1 10 . 1 1 4 4 ILE H H 4 8.236 8.236 8.377 -0.141 19789
2196 1 10 . 1 1 5 5 TYR N N 5 120.903 120.903 116.655 4.248 19789
2197 1 10 . 1 1 5 5 TYR H H 5 7.618 7.618 6.882 0.736 19789
2198 1 10 . 1 1 6 6 LYS N N 6 120.946 120.946 121.402 -0.456 19789
2199 1 10 . 1 1 6 6 LYS H H 6 7.894 7.894 7.721 0.173 19789
2200 1 10 . 1 1 7 7 ALA N N 7 120.284 120.284 120.645 -0.361 19789
2201 1 10 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.331 -0.327 19789
2202 1 10 . 1 1 7 7 ALA H H 7 7.934 7.934 7.338 0.596 19789
2203 1 10 . 1 1 8 8 ALA N N 8 119.988 119.988 121.562 -1.574 19789
2204 1 10 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.449 -0.049 19789
2205 1 10 . 1 1 8 8 ALA H H 8 7.501 7.501 7.665 -0.164 19789
2206 1 10 . 1 1 9 9 VAL N N 9 119.175 119.175 116.068 3.107 19789
2207 1 10 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.639 -0.079 19789
2208 1 10 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.721 0.656 19789
2209 1 10 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.638 0.118 19789
2210 1 10 . 1 1 9 9 VAL H H 9 8.077 8.077 7.862 0.215 19789
2211 1 10 . 1 1 10 10 GLU N N 10 118.387 118.387 117.400 0.987 19789
2212 1 10 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.062 0.055 19789
2213 1 10 . 1 1 10 10 GLU H H 10 7.802 7.802 7.650 0.152 19789
2214 1 10 . 1 1 11 11 GLN N N 11 114.922 114.922 119.094 -4.172 19789
2215 1 10 . 1 1 11 11 GLN H H 11 7.377 7.377 7.551 -0.174 19789
2216 1 10 . 1 1 12 12 LEU N N 12 120.676 120.676 120.109 0.567 19789
2217 1 10 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.698 -0.179 19789
2218 1 10 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.900 1.303 19789
2219 1 10 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.499 -1.405 19789
2220 1 10 . 1 1 12 12 LEU H H 12 7.388 7.388 7.223 0.165 19789
2221 1 10 . 1 1 13 13 THR N N 13 113.723 113.723 117.959 -4.236 19789
2222 1 10 . 1 1 13 13 THR HA H 13 4.438 4.438 4.602 -0.164 19789
2223 1 10 . 1 1 13 13 THR CA C 13 60.944 60.944 60.686 0.258 19789
2224 1 10 . 1 1 13 13 THR H H 13 8.875 8.875 8.159 0.716 19789
2225 1 10 . 1 1 14 14 GLU N N 14 121.739 121.739 123.025 -1.286 19789
2226 1 10 . 1 1 14 14 GLU H H 14 9.003 9.003 9.027 -0.024 19789
2227 1 10 . 1 1 15 15 GLU N N 15 117.808 117.808 117.684 0.124 19789
2228 1 10 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.057 0.021 19789
2229 1 10 . 1 1 15 15 GLU H H 15 8.538 8.538 8.573 -0.035 19789
2230 1 10 . 1 1 16 16 GLN N N 16 119.080 119.080 117.936 1.144 19789
2231 1 10 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.997 -0.090 19789
2232 1 10 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.535 1.487 19789
2233 1 10 . 1 1 16 16 GLN H H 16 7.875 7.875 7.906 -0.031 19789
2234 1 10 . 1 1 17 17 LYS N N 17 118.934 118.934 120.719 -1.785 19789
2235 1 10 . 1 1 17 17 LYS H H 17 8.650 8.650 7.807 0.843 19789
2236 1 10 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.444 0.113 19789
2237 1 10 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.178 -0.137 19789
2238 1 10 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.466 -0.618 19789
2239 1 10 . 1 1 19 19 GLU N N 19 123.449 123.449 119.041 4.408 19789
2240 1 10 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.199 -0.017 19789
2241 1 10 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.868 1.289 19789
2242 1 10 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.946 -0.561 19789
2243 1 10 . 1 1 19 19 GLU H H 19 8.131 8.131 8.195 -0.064 19789
2244 1 10 . 1 1 20 20 PHE N N 20 117.873 117.873 119.164 -1.291 19789
2245 1 10 . 1 1 20 20 PHE H H 20 8.645 8.645 7.927 0.718 19789
2246 1 10 . 1 1 21 21 LYS N N 21 122.555 122.555 119.808 2.747 19789
2247 1 10 . 1 1 21 21 LYS H H 21 8.781 8.781 8.872 -0.091 19789
2248 1 10 . 1 1 22 22 ALA N N 22 121.657 121.657 121.474 0.183 19789
2249 1 10 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.191 -0.508 19789
2250 1 10 . 1 1 22 22 ALA H H 22 7.844 7.844 7.652 0.192 19789
2251 1 10 . 1 1 23 23 ALA N N 23 119.044 119.044 121.924 -2.880 19789
2252 1 10 . 1 1 23 23 ALA CB C 23 18.439 18.439 17.928 0.511 19789
2253 1 10 . 1 1 23 23 ALA H H 23 8.141 8.141 7.610 0.531 19789
2254 1 10 . 1 1 24 24 PHE N N 24 121.051 121.051 117.887 3.164 19789
2255 1 10 . 1 1 24 24 PHE H H 24 8.942 8.942 8.130 0.812 19789
2256 1 10 . 1 1 25 25 ASP N N 25 116.425 116.425 119.083 -2.658 19789
2257 1 10 . 1 1 25 25 ASP H H 25 8.546 8.546 7.692 0.854 19789
2258 1 10 . 1 1 26 26 ILE N N 26 119.584 119.584 120.731 -1.147 19789
2259 1 10 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.718 0.015 19789
2260 1 10 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.029 -0.168 19789
2261 1 10 . 1 1 26 26 ILE H H 26 7.314 7.314 7.597 -0.283 19789
2262 1 10 . 1 1 27 27 PHE N N 27 120.837 120.837 118.387 2.450 19789
2263 1 10 . 1 1 27 27 PHE H H 27 8.103 8.103 8.742 -0.639 19789
2264 1 10 . 1 1 28 28 VAL N N 28 107.855 107.855 118.002 -10.147 19789
2265 1 10 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.035 -0.036 19789
2266 1 10 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.573 1.181 19789
2267 1 10 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.764 -0.255 19789
2268 1 10 . 1 1 28 28 VAL H H 28 7.555 7.555 7.250 0.305 19789
2269 1 10 . 1 1 29 29 LEU N N 29 125.187 125.187 124.140 1.047 19789
2270 1 10 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.415 0.988 19789
2271 1 10 . 1 1 29 29 LEU H H 29 7.229 7.229 7.211 0.018 19789
2272 1 10 . 1 1 30 30 GLY N N 30 111.816 111.816 112.219 -0.403 19789
2273 1 10 . 1 1 30 30 GLY H H 30 8.799 8.799 8.017 0.782 19789
2274 1 10 . 1 1 31 31 ALA N N 31 124.151 124.151 121.831 2.320 19789
2275 1 10 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.560 0.213 19789
2276 1 10 . 1 1 31 31 ALA H H 31 7.946 7.946 7.439 0.507 19789
2277 1 10 . 1 1 32 32 GLU N N 32 124.621 124.621 119.044 5.577 19789
2278 1 10 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.255 -0.170 19789
2279 1 10 . 1 1 32 32 GLU H H 32 9.102 9.102 8.466 0.636 19789
2280 1 10 . 1 1 33 33 ASP N N 33 115.935 115.935 117.856 -1.921 19789
2281 1 10 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.702 0.032 19789
2282 1 10 . 1 1 33 33 ASP H H 33 8.199 8.199 8.393 -0.194 19789
2283 1 10 . 1 1 34 34 GLY N N 34 105.713 105.713 108.243 -2.530 19789
2284 1 10 . 1 1 34 34 GLY H H 34 7.653 7.653 8.213 -0.560 19789
2285 1 10 . 1 1 35 35 CYS N N 35 113.447 113.447 117.026 -3.579 19789
2286 1 10 . 1 1 35 35 CYS H H 35 7.621 7.621 7.716 -0.095 19789
2287 1 10 . 1 1 36 36 ILE N N 36 119.384 119.384 118.162 1.222 19789
2288 1 10 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.187 -0.321 19789
2289 1 10 . 1 1 36 36 ILE CB C 36 39.464 39.464 42.128 -2.664 19789
2290 1 10 . 1 1 36 36 ILE H H 36 8.793 8.793 8.687 0.106 19789
2291 1 10 . 1 1 37 37 SER N N 37 125.951 125.951 118.445 7.506 19789
2292 1 10 . 1 1 37 37 SER H H 37 9.421 9.421 8.591 0.830 19789
2293 1 10 . 1 1 38 38 THR N N 38 112.286 112.286 117.135 -4.849 19789
2294 1 10 . 1 1 38 38 THR HA H 38 3.726 3.726 3.693 0.033 19789
2295 1 10 . 1 1 38 38 THR CA C 38 66.708 66.708 65.984 0.724 19789
2296 1 10 . 1 1 38 38 THR H H 38 8.816 8.816 8.273 0.543 19789
2297 1 10 . 1 1 39 39 LYS N N 39 122.672 122.672 120.240 2.432 19789
2298 1 10 . 1 1 39 39 LYS H H 39 8.016 8.016 8.340 -0.324 19789
2299 1 10 . 1 1 40 40 GLU N N 40 119.098 119.098 118.325 0.773 19789
2300 1 10 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.224 -0.040 19789
2301 1 10 . 1 1 40 40 GLU H H 40 7.705 7.705 8.192 -0.487 19789
2302 1 10 . 1 1 41 41 LEU N N 41 119.205 119.205 120.152 -0.947 19789
2303 1 10 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.261 0.849 19789
2304 1 10 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.195 0.493 19789
2305 1 10 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.322 1.188 19789
2306 1 10 . 1 1 41 41 LEU H H 41 8.356 8.356 7.886 0.470 19789
2307 1 10 . 1 1 42 42 GLY N N 42 105.741 105.741 105.860 -0.119 19789
2308 1 10 . 1 1 42 42 GLY H H 42 8.422 8.422 8.404 0.018 19789
2309 1 10 . 1 1 43 43 LYS N N 43 120.666 120.666 121.281 -0.615 19789
2310 1 10 . 1 1 43 43 LYS H H 43 7.265 7.265 7.767 -0.502 19789
2311 1 10 . 1 1 44 44 VAL N N 44 119.328 119.328 116.073 3.255 19789
2312 1 10 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.929 -0.473 19789
2313 1 10 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.071 1.316 19789
2314 1 10 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.657 0.979 19789
2315 1 10 . 1 1 44 44 VAL H H 44 7.488 7.488 8.089 -0.601 19789
2316 1 10 . 1 1 45 45 MET N N 45 116.122 116.122 120.864 -4.742 19789
2317 1 10 . 1 1 45 45 MET HA H 45 4.171 4.171 4.022 0.149 19789
2318 1 10 . 1 1 45 45 MET H H 45 8.357 8.357 7.221 1.136 19789
2319 1 10 . 1 1 46 46 ARG N N 46 118.799 118.799 117.838 0.961 19789
2320 1 10 . 1 1 46 46 ARG H H 46 8.115 8.115 7.662 0.453 19789
2321 1 10 . 1 1 47 47 MET N N 47 122.183 122.183 116.458 5.725 19789
2322 1 10 . 1 1 47 47 MET HA H 47 4.233 4.233 4.255 -0.022 19789
2323 1 10 . 1 1 47 47 MET H H 47 7.866 7.866 7.661 0.205 19789
2324 1 10 . 1 1 48 48 LEU N N 48 117.213 117.213 118.705 -1.492 19789
2325 1 10 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.202 0.155 19789
2326 1 10 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.615 -0.937 19789
2327 1 10 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.791 -1.164 19789
2328 1 10 . 1 1 48 48 LEU H H 48 7.499 7.499 7.724 -0.225 19789
2329 1 10 . 1 1 49 49 GLY N N 49 107.154 107.154 105.290 1.864 19789
2330 1 10 . 1 1 49 49 GLY H H 49 7.841 7.841 7.809 0.032 19789
2331 1 10 . 1 1 50 50 GLN N N 50 118.411 118.411 118.117 0.294 19789
2332 1 10 . 1 1 50 50 GLN H H 50 8.014 8.014 8.084 -0.070 19789
2333 1 10 . 1 1 51 51 ASN N N 51 116.615 116.615 115.741 0.874 19789
2334 1 10 . 1 1 51 51 ASN H H 51 8.716 8.716 8.465 0.251 19789
2335 1 10 . 1 1 53 53 THR N N 53 113.821 113.821 114.176 -0.355 19789
2336 1 10 . 1 1 53 53 THR H H 53 8.801 8.801 8.411 0.390 19789
2337 1 10 . 1 1 55 55 GLU N N 55 117.313 117.313 117.527 -0.214 19789
2338 1 10 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.193 -0.171 19789
2339 1 10 . 1 1 55 55 GLU H H 55 8.751 8.751 8.587 0.164 19789
2340 1 10 . 1 1 56 56 GLU N N 56 121.618 121.618 120.050 1.568 19789
2341 1 10 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.184 -0.186 19789
2342 1 10 . 1 1 56 56 GLU H H 56 7.803 7.803 7.584 0.219 19789
2343 1 10 . 1 1 57 57 LEU N N 57 119.131 119.131 121.589 -2.458 19789
2344 1 10 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.861 0.187 19789
2345 1 10 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.051 -0.204 19789
2346 1 10 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.362 1.281 19789
2347 1 10 . 1 1 57 57 LEU H H 57 8.179 8.179 8.570 -0.391 19789
2348 1 10 . 1 1 58 58 GLN N N 58 117.777 117.777 117.924 -0.147 19789
2349 1 10 . 1 1 58 58 GLN H H 58 7.945 7.945 8.206 -0.261 19789
2350 1 10 . 1 1 59 59 GLU N N 59 119.087 119.087 121.355 -2.268 19789
2351 1 10 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.989 0.058 19789
2352 1 10 . 1 1 59 59 GLU H H 59 7.887 7.887 8.843 -0.956 19789
2353 1 10 . 1 1 60 60 MET N N 60 117.618 117.618 115.574 2.044 19789
2354 1 10 . 1 1 60 60 MET HA H 60 3.921 3.921 4.311 -0.390 19789
2355 1 10 . 1 1 60 60 MET H H 60 7.702 7.702 8.370 -0.668 19789
2356 1 10 . 1 1 61 61 ILE N N 61 118.070 118.070 113.461 4.609 19789
2357 1 10 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.238 -0.891 19789
2358 1 10 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.477 2.380 19789
2359 1 10 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.272 -1.857 19789
2360 1 10 . 1 1 61 61 ILE H H 61 7.358 7.358 7.639 -0.281 19789
2361 1 10 . 1 1 62 62 ASP N N 62 119.384 119.384 121.544 -2.160 19789
2362 1 10 . 1 1 62 62 ASP H H 62 8.683 8.683 8.876 -0.193 19789
2363 1 10 . 1 1 63 63 GLU N N 63 115.866 115.866 118.919 -3.053 19789
2364 1 10 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.187 -0.157 19789
2365 1 10 . 1 1 63 63 GLU H H 63 7.612 7.612 7.864 -0.252 19789
2366 1 10 . 1 1 64 64 VAL N N 64 107.501 107.501 112.770 -5.269 19789
2367 1 10 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.434 0.111 19789
2368 1 10 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.307 0.744 19789
2369 1 10 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.010 0.372 19789
2370 1 10 . 1 1 64 64 VAL H H 64 7.239 7.239 7.347 -0.108 19789
2371 1 10 . 1 1 65 65 ASP N N 65 121.745 121.745 122.522 -0.777 19789
2372 1 10 . 1 1 65 65 ASP H H 65 7.584 7.584 7.801 -0.217 19789
2373 1 10 . 1 1 66 66 GLU N N 66 128.227 128.227 123.321 4.906 19789
2374 1 10 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.364 -0.178 19789
2375 1 10 . 1 1 66 66 GLU H H 66 8.633 8.633 8.553 0.080 19789
2376 1 10 . 1 1 67 67 ASP N N 67 114.509 114.509 117.494 -2.985 19789
2377 1 10 . 1 1 67 67 ASP H H 67 7.967 7.967 8.482 -0.515 19789
2378 1 10 . 1 1 68 68 GLY N N 68 108.897 108.897 109.615 -0.718 19789
2379 1 10 . 1 1 68 68 GLY H H 68 7.765 7.765 9.107 -1.342 19789
2380 1 10 . 1 1 69 69 SER N N 69 116.480 116.480 117.199 -0.719 19789
2381 1 10 . 1 1 69 69 SER H H 69 8.452 8.452 7.841 0.611 19789
2382 1 10 . 1 1 70 70 GLY N N 70 116.525 116.525 108.882 7.643 19789
2383 1 10 . 1 1 70 70 GLY H H 70 10.847 10.847 8.238 2.609 19789
2384 1 10 . 1 1 71 71 THR N N 71 107.688 107.688 117.062 -9.374 19789
2385 1 10 . 1 1 71 71 THR HA H 71 4.914 4.914 4.722 0.192 19789
2386 1 10 . 1 1 71 71 THR CA C 71 58.346 58.346 61.045 -2.699 19789
2387 1 10 . 1 1 71 71 THR CB C 71 73.760 73.760 71.094 2.666 19789
2388 1 10 . 1 1 71 71 THR H H 71 7.664 7.664 7.666 -0.002 19789
2389 1 10 . 1 1 72 72 VAL N N 72 126.813 126.813 121.186 5.627 19789
2390 1 10 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.970 0.115 19789
2391 1 10 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.400 -0.820 19789
2392 1 10 . 1 1 72 72 VAL H H 72 9.792 9.792 7.845 1.947 19789
2393 1 10 . 1 1 73 73 ASP N N 73 128.665 128.665 122.743 5.922 19789
2394 1 10 . 1 1 73 73 ASP H H 73 8.746 8.746 8.187 0.559 19789
2395 1 10 . 1 1 74 74 PHE N N 74 118.267 118.267 118.442 -0.175 19789
2396 1 10 . 1 1 74 74 PHE H H 74 8.577 8.577 8.155 0.421 19789
2397 1 10 . 1 1 75 75 ASP N N 75 117.261 117.261 119.062 -1.801 19789
2398 1 10 . 1 1 75 75 ASP H H 75 7.654 7.654 8.440 -0.786 19789
2399 1 10 . 1 1 76 76 GLU N N 76 120.396 120.396 121.206 -0.810 19789
2400 1 10 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.132 -0.105 19789
2401 1 10 . 1 1 76 76 GLU H H 76 8.169 8.169 8.215 -0.046 19789
2402 1 10 . 1 1 77 77 PHE N N 77 122.823 122.823 121.185 1.638 19789
2403 1 10 . 1 1 77 77 PHE H H 77 8.984 8.984 8.968 0.016 19789
2404 1 10 . 1 1 78 78 LEU N N 78 118.595 118.595 118.212 0.383 19789
2405 1 10 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.511 -0.224 19789
2406 1 10 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.795 0.320 19789
2407 1 10 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.600 -0.247 19789
2408 1 10 . 1 1 78 78 LEU H H 78 7.950 7.950 7.597 0.353 19789
2409 1 10 . 1 1 79 79 VAL N N 79 118.101 118.101 118.580 -0.479 19789
2410 1 10 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.495 -0.247 19789
2411 1 10 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.594 0.306 19789
2412 1 10 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.607 -0.708 19789
2413 1 10 . 1 1 79 79 VAL H H 79 6.947 6.947 7.436 -0.489 19789
2414 1 10 . 1 1 80 80 MET N N 80 119.853 119.853 117.771 2.082 19789
2415 1 10 . 1 1 80 80 MET H H 80 7.952 7.952 7.531 0.421 19789
2416 1 10 . 1 1 81 81 MET N N 81 117.448 117.448 116.322 1.126 19789
2417 1 10 . 1 1 81 81 MET H H 81 8.110 8.110 7.800 0.310 19789
2418 1 10 . 1 1 82 82 VAL N N 82 117.627 117.627 120.371 -2.744 19789
2419 1 10 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.653 0.309 19789
2420 1 10 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.118 -0.051 19789
2421 1 10 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.405 -0.263 19789
2422 1 10 . 1 1 82 82 VAL H H 82 8.183 8.183 7.425 0.758 19789
2423 1 10 . 1 1 83 83 ARG N N 83 120.495 120.495 118.600 1.895 19789
2424 1 10 . 1 1 83 83 ARG H H 83 8.169 8.169 8.167 0.002 19789
2425 1 10 . 1 1 84 84 CYS N N 84 113.519 113.519 117.526 -4.007 19789
2426 1 10 . 1 1 84 84 CYS H H 84 7.507 7.507 7.708 -0.201 19789
2427 1 10 . 1 1 85 85 MET N N 85 120.618 120.618 120.776 -0.158 19789
2428 1 10 . 1 1 85 85 MET H H 85 7.661 7.661 7.488 0.173 19789
2429 1 10 . 1 1 86 86 LYS N N 86 120.147 120.147 118.207 1.940 19789
2430 1 10 . 1 1 86 86 LYS H H 86 7.779 7.779 8.122 -0.343 19789
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 81 3.093 0.019 3.113 19789
2 1 1 "Average Difference" HA 37 0.316 0.089 0.307 19789
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19789
4 1 1 "Average Difference" CA 19 1.144 -0.389 1.106 19789
5 1 1 "Average Difference" CB 25 1.006 0.320 0.974 19789
6 1 1 "Average Difference" HN 81 0.587 -0.119 0.578 19789
7 1 2 "Average Difference" N 81 2.973 -0.298 2.976 19789
8 1 2 "Average Difference" HA 37 0.287 0.113 0.267 19789
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19789
10 1 2 "Average Difference" CA 19 1.053 -0.439 0.983 19789
11 1 2 "Average Difference" CB 25 0.955 0.189 0.956 19789
12 1 2 "Average Difference" HN 81 0.587 -0.134 0.575 19789
13 1 3 "Average Difference" N 81 3.068 -0.199 3.081 19789
14 1 3 "Average Difference" HA 37 0.276 0.109 0.257 19789
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19789
16 1 3 "Average Difference" CA 19 1.090 -0.571 0.954 19789
17 1 3 "Average Difference" CB 25 0.874 0.177 0.873 19789
18 1 3 "Average Difference" HN 81 0.600 -0.103 0.595 19789
19 1 4 "Average Difference" N 81 3.152 -0.163 3.167 19789
20 1 4 "Average Difference" HA 37 0.258 0.071 0.252 19789
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19789
22 1 4 "Average Difference" CA 19 1.173 -0.586 1.043 19789
23 1 4 "Average Difference" CB 25 0.943 0.136 0.952 19789
24 1 4 "Average Difference" HN 81 0.605 -0.140 0.592 19789
25 1 5 "Average Difference" N 81 3.143 -0.204 3.156 19789
26 1 5 "Average Difference" HA 37 0.351 0.112 0.337 19789
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19789
28 1 5 "Average Difference" CA 19 1.077 -0.557 0.948 19789
29 1 5 "Average Difference" CB 25 0.990 0.272 0.971 19789
30 1 5 "Average Difference" HN 81 0.612 -0.058 0.613 19789
31 1 6 "Average Difference" N 81 2.851 -0.039 2.868 19789
32 1 6 "Average Difference" HA 37 0.319 0.079 0.313 19789
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19789
34 1 6 "Average Difference" CA 19 1.141 -0.644 0.967 19789
35 1 6 "Average Difference" CB 25 0.974 0.109 0.988 19789
36 1 6 "Average Difference" HN 81 0.567 -0.115 0.559 19789
37 1 7 "Average Difference" N 81 3.335 -0.364 3.336 19789
38 1 7 "Average Difference" HA 37 0.298 0.029 0.300 19789
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19789
40 1 7 "Average Difference" CA 19 1.248 -0.527 1.162 19789
41 1 7 "Average Difference" CB 25 1.127 0.040 1.150 19789
42 1 7 "Average Difference" HN 81 0.615 -0.156 0.598 19789
43 1 8 "Average Difference" N 81 2.826 -0.246 2.833 19789
44 1 8 "Average Difference" HA 37 0.289 0.078 0.282 19789
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19789
46 1 8 "Average Difference" CA 19 1.342 -0.717 1.166 19789
47 1 8 "Average Difference" CB 25 0.982 -0.099 0.998 19789
48 1 8 "Average Difference" HN 81 0.608 -0.129 0.598 19789
49 1 9 "Average Difference" N 81 3.018 -0.094 3.035 19789
50 1 9 "Average Difference" HA 37 0.300 0.083 0.292 19789
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19789
52 1 9 "Average Difference" CA 19 1.198 -0.505 1.117 19789
53 1 9 "Average Difference" CB 25 1.058 0.119 1.073 19789
54 1 9 "Average Difference" HN 81 0.557 -0.107 0.550 19789
55 1 10 "Average Difference" N 81 3.214 -0.060 3.234 19789
56 1 10 "Average Difference" HA 37 0.265 0.046 0.265 19789
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19789
58 1 10 "Average Difference" CA 19 1.162 -0.498 1.079 19789
59 1 10 "Average Difference" CB 25 1.079 0.150 1.090 19789
60 1 10 "Average Difference" HN 81 0.590 -0.127 0.580 19789
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 19789
_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 3 3 ASP N N 3 122.928 122.928 120.922 2.006 19789
2 1 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.507 -0.041 19789
3 1 . 1 1 3 3 ASP H H 3 8.538 8.538 8.491 0.047 19789
4 1 . 1 1 4 4 ILE N N 4 119.305 119.305 120.229 -0.924 19789
5 1 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.825 0.086 19789
6 1 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.529 1.296 19789
7 1 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.879 -0.238 19789
8 1 . 1 1 4 4 ILE H H 4 8.236 8.236 8.209 0.027 19789
9 1 . 1 1 5 5 TYR N N 5 120.903 120.903 117.454 3.449 19789
10 1 . 1 1 5 5 TYR H H 5 7.618 7.618 6.997 0.621 19789
11 1 . 1 1 6 6 LYS N N 6 120.946 120.946 120.868 0.078 19789
12 1 . 1 1 6 6 LYS H H 6 7.894 7.894 8.124 -0.230 19789
13 1 . 1 1 7 7 ALA N N 7 120.284 120.284 120.506 -0.222 19789
14 1 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.307 -0.304 19789
15 1 . 1 1 7 7 ALA H H 7 7.934 7.934 7.411 0.523 19789
16 1 . 1 1 8 8 ALA N N 8 119.988 119.988 121.734 -1.746 19789
17 1 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.381 0.019 19789
18 1 . 1 1 8 8 ALA H H 8 7.501 7.501 7.622 -0.121 19789
19 1 . 1 1 9 9 VAL N N 9 119.175 119.175 117.716 1.459 19789
20 1 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.608 -0.048 19789
21 1 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.826 0.550 19789
22 1 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.457 0.299 19789
23 1 . 1 1 9 9 VAL H H 9 8.077 8.077 7.860 0.217 19789
24 1 . 1 1 10 10 GLU N N 10 118.387 118.387 118.059 0.329 19789
25 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.064 0.053 19789
26 1 . 1 1 10 10 GLU H H 10 7.802 7.802 7.640 0.162 19789
27 1 . 1 1 11 11 GLN N N 11 114.922 114.922 118.276 -3.354 19789
28 1 . 1 1 11 11 GLN H H 11 7.377 7.377 7.508 -0.131 19789
29 1 . 1 1 12 12 LEU N N 12 120.676 120.676 119.786 0.890 19789
30 1 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.633 -0.114 19789
31 1 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.895 1.308 19789
32 1 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.167 -1.072 19789
33 1 . 1 1 12 12 LEU H H 12 7.388 7.388 7.250 0.138 19789
34 1 . 1 1 13 13 THR N N 13 113.723 113.723 115.203 -1.480 19789
35 1 . 1 1 13 13 THR HA H 13 4.438 4.438 4.569 -0.131 19789
36 1 . 1 1 13 13 THR CA C 13 60.944 60.944 60.309 0.635 19789
37 1 . 1 1 13 13 THR H H 13 8.875 8.875 8.211 0.664 19789
38 1 . 1 1 14 14 GLU N N 14 121.739 121.739 122.076 -0.337 19789
39 1 . 1 1 14 14 GLU H H 14 9.003 9.003 8.973 0.030 19789
40 1 . 1 1 15 15 GLU N N 15 117.808 117.808 118.539 -0.731 19789
41 1 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.102 -0.024 19789
42 1 . 1 1 15 15 GLU H H 15 8.538 8.538 8.073 0.465 19789
43 1 . 1 1 16 16 GLN N N 16 119.080 119.080 117.891 1.189 19789
44 1 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.210 -0.303 19789
45 1 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.484 1.538 19789
46 1 . 1 1 16 16 GLN H H 16 7.875 7.875 7.945 -0.070 19789
47 1 . 1 1 17 17 LYS N N 17 118.934 118.934 121.100 -2.166 19789
48 1 . 1 1 17 17 LYS H H 17 8.650 8.650 7.975 0.675 19789
49 1 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.452 0.105 19789
50 1 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.030 0.011 19789
51 1 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.382 -0.534 19789
52 1 . 1 1 19 19 GLU N N 19 123.449 123.449 118.568 4.881 19789
53 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.175 0.007 19789
54 1 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.665 1.493 19789
55 1 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.015 -0.630 19789
56 1 . 1 1 19 19 GLU H H 19 8.131 8.131 8.286 -0.155 19789
57 1 . 1 1 20 20 PHE N N 20 117.873 117.873 120.304 -2.431 19789
58 1 . 1 1 20 20 PHE H H 20 8.645 8.645 8.019 0.626 19789
59 1 . 1 1 21 21 LYS N N 21 122.555 122.555 119.097 3.458 19789
60 1 . 1 1 21 21 LYS H H 21 8.781 8.781 8.738 0.043 19789
61 1 . 1 1 22 22 ALA N N 22 121.657 121.657 121.647 0.010 19789
62 1 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.092 -0.409 19789
63 1 . 1 1 22 22 ALA H H 22 7.844 7.844 7.447 0.397 19789
64 1 . 1 1 23 23 ALA N N 23 119.044 119.044 121.908 -2.864 19789
65 1 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.203 0.236 19789
66 1 . 1 1 23 23 ALA H H 23 8.141 8.141 7.619 0.522 19789
67 1 . 1 1 24 24 PHE N N 24 121.051 121.051 116.954 4.097 19789
68 1 . 1 1 24 24 PHE H H 24 8.942 8.942 8.002 0.940 19789
69 1 . 1 1 25 25 ASP N N 25 116.425 116.425 118.537 -2.112 19789
70 1 . 1 1 25 25 ASP H H 25 8.546 8.546 7.520 1.026 19789
71 1 . 1 1 26 26 ILE N N 26 119.584 119.584 120.543 -0.959 19789
72 1 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.771 -0.038 19789
73 1 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.051 -0.190 19789
74 1 . 1 1 26 26 ILE H H 26 7.314 7.314 7.427 -0.113 19789
75 1 . 1 1 27 27 PHE N N 27 120.837 120.837 118.379 2.458 19789
76 1 . 1 1 27 27 PHE H H 27 8.103 8.103 8.589 -0.486 19789
77 1 . 1 1 28 28 VAL N N 28 107.855 107.855 115.912 -8.057 19789
78 1 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.380 -0.381 19789
79 1 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.346 1.408 19789
80 1 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.133 -0.624 19789
81 1 . 1 1 28 28 VAL H H 28 7.555 7.555 7.249 0.306 19789
82 1 . 1 1 29 29 LEU N N 29 125.187 125.187 124.686 0.501 19789
83 1 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.379 1.024 19789
84 1 . 1 1 29 29 LEU H H 29 7.229 7.229 7.279 -0.050 19789
85 1 . 1 1 30 30 GLY N N 30 111.816 111.816 111.689 0.127 19789
86 1 . 1 1 30 30 GLY H H 30 8.799 8.799 8.050 0.749 19789
87 1 . 1 1 31 31 ALA N N 31 124.151 124.151 121.933 2.218 19789
88 1 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.766 0.007 19789
89 1 . 1 1 31 31 ALA H H 31 7.946 7.946 7.571 0.376 19789
90 1 . 1 1 32 32 GLU N N 32 124.621 124.621 119.789 4.832 19789
91 1 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.251 -0.165 19789
92 1 . 1 1 32 32 GLU H H 32 9.102 9.102 8.633 0.469 19789
93 1 . 1 1 33 33 ASP N N 33 115.935 115.935 118.066 -2.131 19789
94 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.716 0.018 19789
95 1 . 1 1 33 33 ASP H H 33 8.199 8.199 8.391 -0.192 19789
96 1 . 1 1 34 34 GLY N N 34 105.713 105.713 108.876 -3.163 19789
97 1 . 1 1 34 34 GLY H H 34 7.653 7.653 8.248 -0.595 19789
98 1 . 1 1 35 35 CYS N N 35 113.447 113.447 116.877 -3.430 19789
99 1 . 1 1 35 35 CYS H H 35 7.621 7.621 7.715 -0.094 19789
100 1 . 1 1 36 36 ILE N N 36 119.384 119.384 117.895 1.489 19789
101 1 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.324 -0.458 19789
102 1 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.478 -2.014 19789
103 1 . 1 1 36 36 ILE H H 36 8.793 8.793 8.107 0.686 19789
104 1 . 1 1 37 37 SER N N 37 125.951 125.951 118.932 7.019 19789
105 1 . 1 1 37 37 SER H H 37 9.421 9.421 8.687 0.734 19789
106 1 . 1 1 38 38 THR N N 38 112.286 112.286 116.106 -3.820 19789
107 1 . 1 1 38 38 THR HA H 38 3.726 3.726 3.728 -0.002 19789
108 1 . 1 1 38 38 THR CA C 38 66.708 66.708 65.403 1.305 19789
109 1 . 1 1 38 38 THR H H 38 8.816 8.816 8.128 0.688 19789
110 1 . 1 1 39 39 LYS N N 39 122.672 122.672 121.035 1.637 19789
111 1 . 1 1 39 39 LYS H H 39 8.016 8.016 8.427 -0.411 19789
112 1 . 1 1 40 40 GLU N N 40 119.098 119.098 116.908 2.190 19789
113 1 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.224 -0.040 19789
114 1 . 1 1 40 40 GLU H H 40 7.705 7.705 8.408 -0.703 19789
115 1 . 1 1 41 41 LEU N N 41 119.205 119.205 121.038 -1.833 19789
116 1 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.700 0.410 19789
117 1 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.647 0.041 19789
118 1 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.439 1.071 19789
119 1 . 1 1 41 41 LEU H H 41 8.356 8.356 7.870 0.486 19789
120 1 . 1 1 42 42 GLY N N 42 105.741 105.741 105.740 0.000 19789
121 1 . 1 1 42 42 GLY H H 42 8.422 8.422 8.457 -0.035 19789
122 1 . 1 1 43 43 LYS N N 43 120.666 120.666 121.182 -0.516 19789
123 1 . 1 1 43 43 LYS H H 43 7.265 7.265 7.775 -0.510 19789
124 1 . 1 1 44 44 VAL N N 44 119.328 119.328 116.302 3.026 19789
125 1 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.883 -0.427 19789
126 1 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.444 0.943 19789
127 1 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.269 0.367 19789
128 1 . 1 1 44 44 VAL H H 44 7.488 7.488 8.098 -0.610 19789
129 1 . 1 1 45 45 MET N N 45 116.122 116.122 120.506 -4.384 19789
130 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.010 0.161 19789
131 1 . 1 1 45 45 MET H H 45 8.357 8.357 7.446 0.911 19789
132 1 . 1 1 46 46 ARG N N 46 118.799 118.799 118.388 0.411 19789
133 1 . 1 1 46 46 ARG H H 46 8.115 8.115 7.708 0.407 19789
134 1 . 1 1 47 47 MET N N 47 122.183 122.183 116.453 5.731 19789
135 1 . 1 1 47 47 MET HA H 47 4.233 4.233 4.276 -0.043 19789
136 1 . 1 1 47 47 MET H H 47 7.866 7.866 7.758 0.108 19789
137 1 . 1 1 48 48 LEU N N 48 117.213 117.213 118.774 -1.561 19789
138 1 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.217 0.140 19789
139 1 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.596 -0.918 19789
140 1 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.749 -1.122 19789
141 1 . 1 1 48 48 LEU H H 48 7.499 7.499 7.766 -0.267 19789
142 1 . 1 1 49 49 GLY N N 49 107.154 107.154 105.422 1.732 19789
143 1 . 1 1 49 49 GLY H H 49 7.841 7.841 7.815 0.026 19789
144 1 . 1 1 50 50 GLN N N 50 118.411 118.411 118.657 -0.246 19789
145 1 . 1 1 50 50 GLN H H 50 8.014 8.014 8.017 -0.003 19789
146 1 . 1 1 51 51 ASN N N 51 116.615 116.615 116.345 0.270 19789
147 1 . 1 1 51 51 ASN H H 51 8.716 8.716 8.538 0.178 19789
148 1 . 1 1 53 53 THR N N 53 113.821 113.821 113.255 0.566 19789
149 1 . 1 1 53 53 THR H H 53 8.801 8.801 8.317 0.484 19789
150 1 . 1 1 55 55 GLU N N 55 117.313 117.313 118.501 -1.188 19789
151 1 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.216 -0.194 19789
152 1 . 1 1 55 55 GLU H H 55 8.751 8.751 8.527 0.225 19789
153 1 . 1 1 56 56 GLU N N 56 121.618 121.618 119.184 2.433 19789
154 1 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.287 -0.289 19789
155 1 . 1 1 56 56 GLU H H 56 7.803 7.803 7.579 0.224 19789
156 1 . 1 1 57 57 LEU N N 57 119.131 119.131 121.500 -2.369 19789
157 1 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.867 0.181 19789
158 1 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.295 -0.448 19789
159 1 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.552 1.091 19789
160 1 . 1 1 57 57 LEU H H 57 8.179 8.179 8.637 -0.458 19789
161 1 . 1 1 58 58 GLN N N 58 117.777 117.777 117.718 0.059 19789
162 1 . 1 1 58 58 GLN H H 58 7.945 7.945 8.288 -0.343 19789
163 1 . 1 1 59 59 GLU N N 59 119.087 119.087 120.397 -1.310 19789
164 1 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.966 0.081 19789
165 1 . 1 1 59 59 GLU H H 59 7.887 7.887 8.786 -0.899 19789
166 1 . 1 1 60 60 MET N N 60 117.618 117.618 114.557 3.061 19789
167 1 . 1 1 60 60 MET HA H 60 3.921 3.921 4.327 -0.406 19789
168 1 . 1 1 60 60 MET H H 60 7.702 7.702 8.350 -0.648 19789
169 1 . 1 1 61 61 ILE N N 61 118.070 118.070 116.154 1.916 19789
170 1 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.090 -0.743 19789
171 1 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.665 2.192 19789
172 1 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.440 -2.026 19789
173 1 . 1 1 61 61 ILE H H 61 7.358 7.358 7.747 -0.389 19789
174 1 . 1 1 62 62 ASP N N 62 119.384 119.384 121.319 -1.935 19789
175 1 . 1 1 62 62 ASP H H 62 8.683 8.683 8.881 -0.198 19789
176 1 . 1 1 63 63 GLU N N 63 115.866 115.866 118.593 -2.727 19789
177 1 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.153 -0.123 19789
178 1 . 1 1 63 63 GLU H H 63 7.612 7.612 7.964 -0.352 19789
179 1 . 1 1 64 64 VAL N N 64 107.501 107.501 111.451 -3.950 19789
180 1 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.361 0.184 19789
181 1 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.404 0.647 19789
182 1 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.949 0.433 19789
183 1 . 1 1 64 64 VAL H H 64 7.239 7.239 7.332 -0.093 19789
184 1 . 1 1 65 65 ASP N N 65 121.745 121.745 122.378 -0.633 19789
185 1 . 1 1 65 65 ASP H H 65 7.584 7.584 7.810 -0.226 19789
186 1 . 1 1 66 66 GLU N N 66 128.227 128.227 122.264 5.963 19789
187 1 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.320 -0.134 19789
188 1 . 1 1 66 66 GLU H H 66 8.633 8.633 8.494 0.139 19789
189 1 . 1 1 67 67 ASP N N 67 114.509 114.509 118.124 -3.615 19789
190 1 . 1 1 67 67 ASP H H 67 7.967 7.967 8.240 -0.273 19789
191 1 . 1 1 68 68 GLY N N 68 108.897 108.897 109.423 -0.526 19789
192 1 . 1 1 68 68 GLY H H 68 7.765 7.765 8.586 -0.822 19789
193 1 . 1 1 69 69 SER N N 69 116.480 116.480 116.629 -0.149 19789
194 1 . 1 1 69 69 SER H H 69 8.452 8.452 8.653 -0.201 19789
195 1 . 1 1 70 70 GLY N N 70 116.525 116.525 110.230 6.295 19789
196 1 . 1 1 70 70 GLY H H 70 10.847 10.847 8.245 2.602 19789
197 1 . 1 1 71 71 THR N N 71 107.688 107.688 115.096 -7.408 19789
198 1 . 1 1 71 71 THR HA H 71 4.914 4.914 4.933 -0.019 19789
199 1 . 1 1 71 71 THR CA C 71 58.346 58.346 60.377 -2.031 19789
200 1 . 1 1 71 71 THR CB C 71 73.760 73.760 71.353 2.407 19789
201 1 . 1 1 71 71 THR H H 71 7.664 7.664 7.533 0.131 19789
202 1 . 1 1 72 72 VAL N N 72 126.813 126.813 121.691 5.122 19789
203 1 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.709 0.376 19789
204 1 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.093 -0.513 19789
205 1 . 1 1 72 72 VAL H H 72 9.792 9.792 7.885 1.907 19789
206 1 . 1 1 73 73 ASP N N 73 128.665 128.665 121.314 7.351 19789
207 1 . 1 1 73 73 ASP H H 73 8.746 8.746 8.075 0.671 19789
208 1 . 1 1 74 74 PHE N N 74 118.267 118.267 118.236 0.031 19789
209 1 . 1 1 74 74 PHE H H 74 8.577 8.577 9.162 -0.585 19789
210 1 . 1 1 75 75 ASP N N 75 117.261 117.261 118.922 -1.661 19789
211 1 . 1 1 75 75 ASP H H 75 7.654 7.654 7.779 -0.125 19789
212 1 . 1 1 76 76 GLU N N 76 120.396 120.396 121.068 -0.672 19789
213 1 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.130 -0.104 19789
214 1 . 1 1 76 76 GLU H H 76 8.169 8.169 7.980 0.189 19789
215 1 . 1 1 77 77 PHE N N 77 122.823 122.823 120.974 1.849 19789
216 1 . 1 1 77 77 PHE H H 77 8.984 8.984 9.010 -0.026 19789
217 1 . 1 1 78 78 LEU N N 78 118.595 118.595 118.816 -0.221 19789
218 1 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.853 -0.566 19789
219 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.983 0.132 19789
220 1 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.382 -0.029 19789
221 1 . 1 1 78 78 LEU H H 78 7.950 7.950 7.749 0.201 19789
222 1 . 1 1 79 79 VAL N N 79 118.101 118.101 118.504 -0.403 19789
223 1 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.589 -0.341 19789
224 1 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.514 0.386 19789
225 1 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.437 -0.538 19789
226 1 . 1 1 79 79 VAL H H 79 6.947 6.947 7.494 -0.547 19789
227 1 . 1 1 80 80 MET N N 80 119.853 119.853 117.212 2.641 19789
228 1 . 1 1 80 80 MET H H 80 7.952 7.952 7.825 0.127 19789
229 1 . 1 1 81 81 MET N N 81 117.448 117.448 116.395 1.053 19789
230 1 . 1 1 81 81 MET H H 81 8.110 8.110 7.886 0.224 19789
231 1 . 1 1 82 82 VAL N N 82 117.627 117.627 120.629 -3.002 19789
232 1 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.624 0.338 19789
233 1 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.229 -0.162 19789
234 1 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.388 -0.246 19789
235 1 . 1 1 82 82 VAL H H 82 8.183 8.183 7.517 0.666 19789
236 1 . 1 1 83 83 ARG N N 83 120.495 120.495 119.261 1.234 19789
237 1 . 1 1 83 83 ARG H H 83 8.169 8.169 8.277 -0.107 19789
238 1 . 1 1 84 84 CYS N N 84 113.519 113.519 116.320 -2.801 19789
239 1 . 1 1 84 84 CYS H H 84 7.507 7.507 7.683 -0.176 19789
240 1 . 1 1 85 85 MET N N 85 120.618 120.618 121.165 -0.547 19789
241 1 . 1 1 85 85 MET H H 85 7.661 7.661 7.573 0.088 19789
242 1 . 1 1 86 86 LYS N N 86 120.147 120.147 118.274 1.873 19789
243 1 . 1 1 86 86 LYS H H 86 7.779 7.779 8.032 -0.253 19789
stop_
save_