data_25423
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25423
_Entry.PDB_ID 2MXP
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 25423
_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 50 50 MET N N 50 120.051 120.051 119.444 0.607 25423
2 1 1 . 1 1 50 50 MET HA H 50 4.354 4.354 4.626 -0.272 25423
3 1 1 . 1 1 50 50 MET CA C 50 55.149 55.149 55.027 0.122 25423
4 1 1 . 1 1 50 50 MET CB C 50 32.514 32.514 33.164 -0.651 25423
5 1 1 . 1 1 50 50 MET H H 50 7.944 7.944 8.548 -0.604 25423
6 1 1 . 1 1 51 51 GLN N N 51 122.311 122.311 120.365 1.946 25423
7 1 1 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.191 0.323 25423
8 1 1 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.548 -2.245 25423
9 1 1 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.364 0.418 25423
10 1 1 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.312 -0.005 25423
11 1 1 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.623 -1.142 25423
12 1 1 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.367 0.483 25423
13 1 1 . 1 1 53 53 LEU N N 53 121.833 121.833 122.885 -1.052 25423
14 1 1 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.366 -0.215 25423
15 1 1 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.579 0.353 25423
16 1 1 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.398 -0.424 25423
17 1 1 . 1 1 54 54 CYS N N 54 115.819 115.819 113.364 2.455 25423
18 1 1 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.328 0.067 25423
19 1 1 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.076 -0.894 25423
20 1 1 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.801 1.068 25423
21 1 1 . 1 1 54 54 CYS H H 54 7.719 7.719 7.361 0.358 25423
22 1 1 . 1 1 55 55 PHE N N 55 119.044 119.044 120.867 -1.823 25423
23 1 1 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.362 0.136 25423
24 1 1 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.311 -0.621 25423
25 1 1 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.250 -0.269 25423
26 1 1 . 1 1 55 55 PHE H H 55 8.790 8.790 8.568 0.222 25423
27 1 1 . 1 1 56 56 ASN N N 56 119.254 119.254 117.610 1.644 25423
28 1 1 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.914 0.421 25423
29 1 1 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.287 -0.040 25423
30 1 1 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.704 0.599 25423
31 1 1 . 1 1 57 57 CYS N N 57 127.439 127.439 122.679 4.760 25423
32 1 1 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.165 -0.260 25423
33 1 1 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.447 0.969 25423
34 1 1 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.937 1.850 25423
35 1 1 . 1 1 57 57 CYS H H 57 9.404 9.404 8.859 0.545 25423
36 1 1 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.435 0.139 25423
37 1 1 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.029 -1.233 25423
38 1 1 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.708 0.204 25423
39 1 1 . 1 1 59 59 ILE N N 59 122.515 122.515 119.061 3.454 25423
40 1 1 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.863 0.056 25423
41 1 1 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.392 -1.308 25423
42 1 1 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.881 0.668 25423
43 1 1 . 1 1 60 60 CYS N N 60 119.620 119.620 113.495 6.125 25423
44 1 1 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.789 0.334 25423
45 1 1 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.749 0.175 25423
46 1 1 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.273 1.583 25423
47 1 1 . 1 1 60 60 CYS H H 60 8.450 8.450 7.760 0.690 25423
48 1 1 . 1 1 61 61 ASP N N 61 119.453 119.453 121.139 -1.686 25423
49 1 1 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.471 0.203 25423
50 1 1 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.526 0.372 25423
51 1 1 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.680 0.769 25423
52 1 1 . 1 1 61 61 ASP H H 61 8.069 8.069 8.682 -0.613 25423
53 1 1 . 1 1 62 62 LYS N N 62 122.865 122.865 120.036 2.829 25423
54 1 1 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.150 -0.149 25423
55 1 1 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.837 2.307 25423
56 1 1 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.374 1.497 25423
57 1 1 . 1 1 62 62 LYS H H 62 8.126 8.126 7.548 0.578 25423
58 1 1 . 1 1 63 63 ILE N N 63 123.398 123.398 126.399 -3.001 25423
59 1 1 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.599 0.245 25423
60 1 1 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.800 0.056 25423
61 1 1 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.876 0.033 25423
62 1 1 . 1 1 64 64 PHE N N 64 124.921 124.921 122.827 2.094 25423
63 1 1 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.045 -0.180 25423
64 1 1 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.875 -0.606 25423
65 1 1 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.439 1.954 25423
66 1 1 . 1 1 64 64 PHE H H 64 9.054 9.054 9.035 0.019 25423
67 1 1 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.364 0.247 25423
68 1 1 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.637 -0.587 25423
69 1 1 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.032 0.593 25423
70 1 1 . 1 1 66 66 ALA N N 66 121.923 121.923 122.844 -0.921 25423
71 1 1 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.235 0.544 25423
72 1 1 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.623 -0.761 25423
73 1 1 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.573 -0.429 25423
74 1 1 . 1 1 66 66 ALA H H 66 8.271 8.271 7.938 0.333 25423
75 1 1 . 1 1 67 67 THR N N 67 104.076 104.076 108.718 -4.642 25423
76 1 1 . 1 1 67 67 THR HA H 67 4.232 4.232 4.127 0.105 25423
77 1 1 . 1 1 67 67 THR CA C 67 61.824 61.824 63.082 -1.258 25423
78 1 1 . 1 1 67 67 THR CB C 67 68.103 68.103 68.534 -0.431 25423
79 1 1 . 1 1 68 68 GLU N N 68 122.788 122.788 121.303 1.485 25423
80 1 1 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.441 0.482 25423
81 1 1 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.685 -1.348 25423
82 1 1 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.356 -1.069 25423
83 1 1 . 1 1 68 68 GLU H H 68 7.879 7.879 7.560 0.319 25423
84 1 1 . 1 1 69 69 LYS N N 69 121.136 121.136 120.104 1.032 25423
85 1 1 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.339 -0.905 25423
86 1 1 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.913 0.497 25423
87 1 1 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.553 0.747 25423
88 1 1 . 1 1 69 69 LYS H H 69 7.627 7.627 7.958 -0.331 25423
89 1 1 . 1 1 70 70 GLN N N 70 117.013 117.013 118.722 -1.709 25423
90 1 1 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.141 -0.223 25423
91 1 1 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.078 -0.415 25423
92 1 1 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.637 -0.884 25423
93 1 1 . 1 1 71 71 ILE N N 71 119.588 119.588 120.084 -0.496 25423
94 1 1 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.735 0.020 25423
95 1 1 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.062 -0.217 25423
96 1 1 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.762 -0.125 25423
97 1 1 . 1 1 72 72 PHE N N 72 122.393 122.393 121.886 0.507 25423
98 1 1 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.795 -0.828 25423
99 1 1 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.616 -1.180 25423
100 1 1 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.049 -1.643 25423
101 1 1 . 1 1 72 72 PHE H H 72 8.043 8.043 8.654 -0.611 25423
102 1 1 . 1 1 73 73 GLU N N 73 119.350 119.350 118.480 0.870 25423
103 1 1 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.736 -0.501 25423
104 1 1 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.098 0.278 25423
105 1 1 . 1 1 73 73 GLU CB C 73 28.469 28.469 28.688 -0.219 25423
106 1 1 . 1 1 73 73 GLU H H 73 8.307 8.307 8.049 0.258 25423
107 1 1 . 1 1 74 74 ASP N N 74 120.085 120.085 120.502 -0.417 25423
108 1 1 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.332 0.036 25423
109 1 1 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.825 -0.936 25423
110 1 1 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.892 -0.681 25423
111 1 1 . 1 1 74 74 ASP H H 74 8.130 8.130 7.809 0.321 25423
112 1 1 . 1 1 75 75 HIS N N 75 120.712 120.712 120.037 0.675 25423
113 1 1 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.291 -0.303 25423
114 1 1 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.889 -0.160 25423
115 1 1 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.262 -2.982 25423
116 1 1 . 1 1 75 75 HIS H H 75 8.037 8.037 8.223 -0.186 25423
117 1 1 . 1 1 76 76 VAL N N 76 119.276 119.276 119.415 -0.139 25423
118 1 1 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.989 -0.551 25423
119 1 1 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.892 0.151 25423
120 1 1 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.556 0.092 25423
121 1 1 . 1 1 77 77 PHE N N 77 120.883 120.883 118.875 2.008 25423
122 1 1 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.142 0.042 25423
123 1 1 . 1 1 77 77 PHE CA C 77 60.538 60.538 62.095 -1.557 25423
124 1 1 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.741 -0.125 25423
125 1 1 . 1 1 77 77 PHE H H 77 7.950 7.950 8.041 -0.091 25423
126 1 1 . 1 1 78 78 CYS N N 78 116.956 116.956 117.534 -0.578 25423
127 1 1 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.951 -0.021 25423
128 1 1 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.839 -0.464 25423
129 1 1 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.377 -1.282 25423
130 1 1 . 1 1 78 78 CYS H H 78 8.017 8.017 7.654 0.363 25423
131 1 1 . 1 1 79 79 HIS N N 79 117.041 117.041 118.520 -1.479 25423
132 1 1 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.364 0.023 25423
133 1 1 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.766 -0.856 25423
134 1 1 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.380 -0.905 25423
135 1 1 . 1 1 79 79 HIS H H 79 7.229 7.229 7.650 -0.421 25423
136 1 1 . 1 1 80 80 SER N N 80 114.684 114.684 113.976 0.708 25423
137 1 1 . 1 1 80 80 SER HA H 80 4.343 4.343 4.321 0.022 25423
138 1 1 . 1 1 80 80 SER CA C 80 58.448 58.448 59.561 -1.113 25423
139 1 1 . 1 1 80 80 SER CB C 80 63.471 63.471 63.422 0.049 25423
140 1 1 . 1 1 80 80 SER H H 80 7.902 7.902 7.710 0.192 25423
141 1 2 . 1 1 50 50 MET N N 50 120.051 120.051 120.420 -0.369 25423
142 1 2 . 1 1 50 50 MET HA H 50 4.354 4.354 4.298 0.057 25423
143 1 2 . 1 1 50 50 MET CA C 50 55.149 55.149 56.295 -1.146 25423
144 1 2 . 1 1 50 50 MET CB C 50 32.514 32.514 32.522 -0.008 25423
145 1 2 . 1 1 50 50 MET H H 50 7.944 7.944 8.178 -0.234 25423
146 1 2 . 1 1 51 51 GLN N N 51 122.311 122.311 119.869 2.442 25423
147 1 2 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.733 -0.219 25423
148 1 2 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.118 -0.815 25423
149 1 2 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.288 -0.506 25423
150 1 2 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.380 -0.072 25423
151 1 2 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.651 -0.170 25423
152 1 2 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.269 -0.419 25423
153 1 2 . 1 1 53 53 LEU N N 53 121.833 121.833 119.762 2.071 25423
154 1 2 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.530 -0.379 25423
155 1 2 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.682 0.250 25423
156 1 2 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.883 0.091 25423
157 1 2 . 1 1 54 54 CYS N N 54 115.819 115.819 112.768 3.051 25423
158 1 2 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.513 -0.118 25423
159 1 2 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.607 -1.425 25423
160 1 2 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.825 0.044 25423
161 1 2 . 1 1 54 54 CYS H H 54 7.719 7.719 7.265 0.454 25423
162 1 2 . 1 1 55 55 PHE N N 55 119.044 119.044 120.719 -1.675 25423
163 1 2 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423
164 1 2 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.683 -0.993 25423
165 1 2 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.940 -0.959 25423
166 1 2 . 1 1 55 55 PHE H H 55 8.790 8.790 9.004 -0.214 25423
167 1 2 . 1 1 56 56 ASN N N 56 119.254 119.254 119.818 -0.564 25423
168 1 2 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.257 0.078 25423
169 1 2 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.834 -0.587 25423
170 1 2 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.884 0.419 25423
171 1 2 . 1 1 57 57 CYS N N 57 127.439 127.439 124.583 2.856 25423
172 1 2 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.161 -0.256 25423
173 1 2 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.757 0.659 25423
174 1 2 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.771 2.016 25423
175 1 2 . 1 1 57 57 CYS H H 57 9.404 9.404 8.694 0.710 25423
176 1 2 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.421 0.153 25423
177 1 2 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.673 -0.877 25423
178 1 2 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.809 0.103 25423
179 1 2 . 1 1 59 59 ILE N N 59 122.515 122.515 119.054 3.461 25423
180 1 2 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.824 0.095 25423
181 1 2 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.492 -1.408 25423
182 1 2 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.895 0.654 25423
183 1 2 . 1 1 60 60 CYS N N 60 119.620 119.620 114.189 5.431 25423
184 1 2 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.766 0.357 25423
185 1 2 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.289 -0.365 25423
186 1 2 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.830 2.026 25423
187 1 2 . 1 1 60 60 CYS H H 60 8.450 8.450 7.824 0.626 25423
188 1 2 . 1 1 61 61 ASP N N 61 119.453 119.453 119.730 -0.277 25423
189 1 2 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.440 0.234 25423
190 1 2 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.270 0.628 25423
191 1 2 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.308 1.141 25423
192 1 2 . 1 1 61 61 ASP H H 61 8.069 8.069 8.586 -0.517 25423
193 1 2 . 1 1 62 62 LYS N N 62 122.865 122.865 118.991 3.874 25423
194 1 2 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.291 -0.290 25423
195 1 2 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.357 1.787 25423
196 1 2 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.243 0.628 25423
197 1 2 . 1 1 62 62 LYS H H 62 8.126 8.126 7.722 0.404 25423
198 1 2 . 1 1 63 63 ILE N N 63 123.398 123.398 120.085 3.313 25423
199 1 2 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.593 0.251 25423
200 1 2 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.531 -0.676 25423
201 1 2 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.959 -1.050 25423
202 1 2 . 1 1 64 64 PHE N N 64 124.921 124.921 122.889 2.032 25423
203 1 2 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.014 -0.149 25423
204 1 2 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.666 -1.397 25423
205 1 2 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.898 -1.505 25423
206 1 2 . 1 1 64 64 PHE H H 64 9.054 9.054 9.042 0.012 25423
207 1 2 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.536 0.075 25423
208 1 2 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.604 -0.554 25423
209 1 2 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.208 0.417 25423
210 1 2 . 1 1 66 66 ALA N N 66 121.923 121.923 124.791 -2.868 25423
211 1 2 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.004 -0.225 25423
212 1 2 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.235 -1.373 25423
213 1 2 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.679 -0.535 25423
214 1 2 . 1 1 66 66 ALA H H 66 8.271 8.271 8.382 -0.111 25423
215 1 2 . 1 1 67 67 THR N N 67 104.076 104.076 108.855 -4.779 25423
216 1 2 . 1 1 67 67 THR HA H 67 4.232 4.232 4.221 0.011 25423
217 1 2 . 1 1 67 67 THR CA C 67 61.824 61.824 64.070 -2.245 25423
218 1 2 . 1 1 67 67 THR CB C 67 68.103 68.103 68.757 -0.654 25423
219 1 2 . 1 1 68 68 GLU N N 68 122.788 122.788 121.566 1.222 25423
220 1 2 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.648 0.275 25423
221 1 2 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.491 -1.154 25423
222 1 2 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.491 -1.204 25423
223 1 2 . 1 1 68 68 GLU H H 68 7.879 7.879 8.401 -0.522 25423
224 1 2 . 1 1 69 69 LYS N N 69 121.136 121.136 119.371 1.765 25423
225 1 2 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.044 -0.610 25423
226 1 2 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.833 0.577 25423
227 1 2 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.924 0.376 25423
228 1 2 . 1 1 69 69 LYS H H 69 7.627 7.627 7.666 -0.039 25423
229 1 2 . 1 1 70 70 GLN N N 70 117.013 117.013 119.191 -2.178 25423
230 1 2 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.151 -0.233 25423
231 1 2 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.424 0.239 25423
232 1 2 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.177 -0.424 25423
233 1 2 . 1 1 71 71 ILE N N 71 119.588 119.588 120.109 -0.521 25423
234 1 2 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.664 0.091 25423
235 1 2 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.163 -0.318 25423
236 1 2 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.502 0.135 25423
237 1 2 . 1 1 72 72 PHE N N 72 122.393 122.393 121.541 0.852 25423
238 1 2 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.622 -0.655 25423
239 1 2 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.991 -1.555 25423
240 1 2 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.031 -1.625 25423
241 1 2 . 1 1 72 72 PHE H H 72 8.043 8.043 7.908 0.135 25423
242 1 2 . 1 1 73 73 GLU N N 73 119.350 119.350 118.577 0.773 25423
243 1 2 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.676 -0.441 25423
244 1 2 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.540 -0.164 25423
245 1 2 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.276 -0.807 25423
246 1 2 . 1 1 73 73 GLU H H 73 8.307 8.307 7.830 0.477 25423
247 1 2 . 1 1 74 74 ASP N N 74 120.085 120.085 119.917 0.168 25423
248 1 2 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.491 -0.123 25423
249 1 2 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.855 -0.966 25423
250 1 2 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.973 -0.762 25423
251 1 2 . 1 1 74 74 ASP H H 74 8.130 8.130 7.864 0.266 25423
252 1 2 . 1 1 75 75 HIS N N 75 120.712 120.712 120.097 0.615 25423
253 1 2 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.222 -0.234 25423
254 1 2 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.843 -0.114 25423
255 1 2 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.105 -2.825 25423
256 1 2 . 1 1 75 75 HIS H H 75 8.037 8.037 8.177 -0.140 25423
257 1 2 . 1 1 76 76 VAL N N 76 119.276 119.276 118.860 0.416 25423
258 1 2 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.951 -0.513 25423
259 1 2 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.525 1.518 25423
260 1 2 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.710 0.938 25423
261 1 2 . 1 1 77 77 PHE N N 77 120.883 120.883 119.598 1.285 25423
262 1 2 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423
263 1 2 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.453 -0.916 25423
264 1 2 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.588 0.028 25423
265 1 2 . 1 1 77 77 PHE H H 77 7.950 7.950 7.854 0.096 25423
266 1 2 . 1 1 78 78 CYS N N 78 116.956 116.956 117.362 -0.406 25423
267 1 2 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.024 -0.094 25423
268 1 2 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.809 -0.434 25423
269 1 2 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.767 -1.672 25423
270 1 2 . 1 1 78 78 CYS H H 78 8.017 8.017 7.738 0.279 25423
271 1 2 . 1 1 79 79 HIS N N 79 117.041 117.041 118.565 -1.524 25423
272 1 2 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.370 0.017 25423
273 1 2 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.815 -0.905 25423
274 1 2 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.305 -0.831 25423
275 1 2 . 1 1 79 79 HIS H H 79 7.229 7.229 7.652 -0.423 25423
276 1 2 . 1 1 80 80 SER N N 80 114.684 114.684 114.123 0.561 25423
277 1 2 . 1 1 80 80 SER HA H 80 4.343 4.343 4.338 0.005 25423
278 1 2 . 1 1 80 80 SER CA C 80 58.448 58.448 59.869 -1.421 25423
279 1 2 . 1 1 80 80 SER CB C 80 63.471 63.471 63.613 -0.142 25423
280 1 2 . 1 1 80 80 SER H H 80 7.902 7.902 7.760 0.142 25423
281 1 3 . 1 1 50 50 MET N N 50 120.051 120.051 117.668 2.383 25423
282 1 3 . 1 1 50 50 MET HA H 50 4.354 4.354 4.555 -0.201 25423
283 1 3 . 1 1 50 50 MET CA C 50 55.149 55.149 55.996 -0.847 25423
284 1 3 . 1 1 50 50 MET CB C 50 32.514 32.514 33.239 -0.725 25423
285 1 3 . 1 1 50 50 MET H H 50 7.944 7.944 7.933 0.011 25423
286 1 3 . 1 1 51 51 GLN N N 51 122.311 122.311 118.464 3.847 25423
287 1 3 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.477 0.037 25423
288 1 3 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.872 -3.569 25423
289 1 3 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.061 -0.279 25423
290 1 3 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.130 0.177 25423
291 1 3 . 1 1 52 52 PRO CA C 52 62.481 62.481 64.208 -1.727 25423
292 1 3 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.979 -0.129 25423
293 1 3 . 1 1 53 53 LEU N N 53 121.833 121.833 117.014 4.819 25423
294 1 3 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.905 0.246 25423
295 1 3 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.729 -0.797 25423
296 1 3 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.254 0.720 25423
297 1 3 . 1 1 54 54 CYS N N 54 115.819 115.819 112.624 3.195 25423
298 1 3 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.605 -0.210 25423
299 1 3 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.096 -0.914 25423
300 1 3 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.645 1.224 25423
301 1 3 . 1 1 54 54 CYS H H 54 7.719 7.719 7.150 0.569 25423
302 1 3 . 1 1 55 55 PHE N N 55 119.044 119.044 115.939 3.105 25423
303 1 3 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.456 0.042 25423
304 1 3 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.452 -0.762 25423
305 1 3 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.175 -2.194 25423
306 1 3 . 1 1 55 55 PHE H H 55 8.790 8.790 8.656 0.134 25423
307 1 3 . 1 1 56 56 ASN N N 56 119.254 119.254 118.182 1.072 25423
308 1 3 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.150 0.185 25423
309 1 3 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.057 -1.810 25423
310 1 3 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.978 -0.675 25423
311 1 3 . 1 1 57 57 CYS N N 57 127.439 127.439 125.913 1.526 25423
312 1 3 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.119 -0.214 25423
313 1 3 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.761 0.655 25423
314 1 3 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.735 2.052 25423
315 1 3 . 1 1 57 57 CYS H H 57 9.404 9.404 8.605 0.799 25423
316 1 3 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.454 0.120 25423
317 1 3 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.054 -1.258 25423
318 1 3 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.646 0.266 25423
319 1 3 . 1 1 59 59 ILE N N 59 122.515 122.515 119.679 2.836 25423
320 1 3 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.868 0.051 25423
321 1 3 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.369 -1.285 25423
322 1 3 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.827 0.722 25423
323 1 3 . 1 1 60 60 CYS N N 60 119.620 119.620 113.856 5.764 25423
324 1 3 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.828 0.295 25423
325 1 3 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.457 0.467 25423
326 1 3 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.722 2.134 25423
327 1 3 . 1 1 60 60 CYS H H 60 8.450 8.450 7.791 0.659 25423
328 1 3 . 1 1 61 61 ASP N N 61 119.453 119.453 121.237 -1.784 25423
329 1 3 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.534 0.140 25423
330 1 3 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.631 0.267 25423
331 1 3 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.296 1.153 25423
332 1 3 . 1 1 61 61 ASP H H 61 8.069 8.069 8.599 -0.530 25423
333 1 3 . 1 1 62 62 LYS N N 62 122.865 122.865 118.923 3.942 25423
334 1 3 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.554 -0.553 25423
335 1 3 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.172 1.972 25423
336 1 3 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.182 -0.312 25423
337 1 3 . 1 1 62 62 LYS H H 62 8.126 8.126 7.708 0.418 25423
338 1 3 . 1 1 63 63 ILE N N 63 123.398 123.398 118.279 5.119 25423
339 1 3 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.684 0.160 25423
340 1 3 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.507 -0.652 25423
341 1 3 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.297 -1.389 25423
342 1 3 . 1 1 64 64 PHE N N 64 124.921 124.921 122.158 2.763 25423
343 1 3 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.970 -0.105 25423
344 1 3 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.609 -1.340 25423
345 1 3 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.523 -1.130 25423
346 1 3 . 1 1 64 64 PHE H H 64 9.054 9.054 8.548 0.506 25423
347 1 3 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.407 0.204 25423
348 1 3 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.815 -0.765 25423
349 1 3 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.076 0.549 25423
350 1 3 . 1 1 66 66 ALA N N 66 121.923 121.923 124.770 -2.847 25423
351 1 3 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.897 -0.118 25423
352 1 3 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.951 -1.089 25423
353 1 3 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.701 -0.557 25423
354 1 3 . 1 1 66 66 ALA H H 66 8.271 8.271 7.922 0.349 25423
355 1 3 . 1 1 67 67 THR N N 67 104.076 104.076 110.563 -6.487 25423
356 1 3 . 1 1 67 67 THR HA H 67 4.232 4.232 4.193 0.039 25423
357 1 3 . 1 1 67 67 THR CA C 67 61.824 61.824 64.481 -2.656 25423
358 1 3 . 1 1 67 67 THR CB C 67 68.103 68.103 68.670 -0.567 25423
359 1 3 . 1 1 68 68 GLU N N 68 122.788 122.788 121.362 1.426 25423
360 1 3 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.725 0.198 25423
361 1 3 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.162 -0.825 25423
362 1 3 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.855 -0.567 25423
363 1 3 . 1 1 68 68 GLU H H 68 7.879 7.879 8.043 -0.164 25423
364 1 3 . 1 1 69 69 LYS N N 69 121.136 121.136 119.920 1.216 25423
365 1 3 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.177 -0.743 25423
366 1 3 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.888 0.522 25423
367 1 3 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.843 0.457 25423
368 1 3 . 1 1 69 69 LYS H H 69 7.627 7.627 7.697 -0.070 25423
369 1 3 . 1 1 70 70 GLN N N 70 117.013 117.013 119.123 -2.110 25423
370 1 3 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.097 -0.179 25423
371 1 3 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.172 -0.509 25423
372 1 3 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.423 -0.670 25423
373 1 3 . 1 1 71 71 ILE N N 71 119.588 119.588 120.294 -0.706 25423
374 1 3 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.730 0.025 25423
375 1 3 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.353 -0.508 25423
376 1 3 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.748 -0.111 25423
377 1 3 . 1 1 72 72 PHE N N 72 122.393 122.393 121.870 0.523 25423
378 1 3 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.140 -0.173 25423
379 1 3 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.770 -1.333 25423
380 1 3 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.719 -1.313 25423
381 1 3 . 1 1 72 72 PHE H H 72 8.043 8.043 8.214 -0.171 25423
382 1 3 . 1 1 73 73 GLU N N 73 119.350 119.350 118.414 0.936 25423
383 1 3 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.698 -0.463 25423
384 1 3 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.227 0.149 25423
385 1 3 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.208 -0.739 25423
386 1 3 . 1 1 73 73 GLU H H 73 8.307 8.307 7.795 0.512 25423
387 1 3 . 1 1 74 74 ASP N N 74 120.085 120.085 120.119 -0.034 25423
388 1 3 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.313 0.055 25423
389 1 3 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.201 -0.312 25423
390 1 3 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.095 -0.884 25423
391 1 3 . 1 1 74 74 ASP H H 74 8.130 8.130 7.610 0.520 25423
392 1 3 . 1 1 75 75 HIS N N 75 120.712 120.712 120.236 0.476 25423
393 1 3 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.243 -0.255 25423
394 1 3 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.575 0.154 25423
395 1 3 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.968 -2.688 25423
396 1 3 . 1 1 75 75 HIS H H 75 8.037 8.037 8.159 -0.122 25423
397 1 3 . 1 1 76 76 VAL N N 76 119.276 119.276 118.773 0.503 25423
398 1 3 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.842 -0.404 25423
399 1 3 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.609 0.434 25423
400 1 3 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.311 0.337 25423
401 1 3 . 1 1 77 77 PHE N N 77 120.883 120.883 118.774 2.109 25423
402 1 3 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.150 0.034 25423
403 1 3 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.918 -1.380 25423
404 1 3 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.546 0.070 25423
405 1 3 . 1 1 77 77 PHE H H 77 7.950 7.950 7.998 -0.048 25423
406 1 3 . 1 1 78 78 CYS N N 78 116.956 116.956 117.462 -0.506 25423
407 1 3 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.946 -0.016 25423
408 1 3 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.968 -0.593 25423
409 1 3 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.367 -1.272 25423
410 1 3 . 1 1 78 78 CYS H H 78 8.017 8.017 7.721 0.296 25423
411 1 3 . 1 1 79 79 HIS N N 79 117.041 117.041 118.137 -1.096 25423
412 1 3 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.367 0.020 25423
413 1 3 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.678 -0.768 25423
414 1 3 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.314 -0.838 25423
415 1 3 . 1 1 79 79 HIS H H 79 7.229 7.229 7.695 -0.466 25423
416 1 3 . 1 1 80 80 SER N N 80 114.684 114.684 114.046 0.638 25423
417 1 3 . 1 1 80 80 SER HA H 80 4.343 4.343 4.277 0.066 25423
418 1 3 . 1 1 80 80 SER CA C 80 58.448 58.448 59.813 -1.365 25423
419 1 3 . 1 1 80 80 SER CB C 80 63.471 63.471 63.507 -0.035 25423
420 1 3 . 1 1 80 80 SER H H 80 7.902 7.902 7.674 0.228 25423
421 1 4 . 1 1 50 50 MET N N 50 120.051 120.051 121.472 -1.421 25423
422 1 4 . 1 1 50 50 MET HA H 50 4.354 4.354 4.290 0.064 25423
423 1 4 . 1 1 50 50 MET CA C 50 55.149 55.149 55.980 -0.831 25423
424 1 4 . 1 1 50 50 MET CB C 50 32.514 32.514 32.617 -0.103 25423
425 1 4 . 1 1 50 50 MET H H 50 7.944 7.944 8.300 -0.356 25423
426 1 4 . 1 1 51 51 GLN N N 51 122.311 122.311 118.906 3.405 25423
427 1 4 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.713 -0.199 25423
428 1 4 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.862 -0.559 25423
429 1 4 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.349 -0.567 25423
430 1 4 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.391 -0.084 25423
431 1 4 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.246 -0.765 25423
432 1 4 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.996 -0.146 25423
433 1 4 . 1 1 53 53 LEU N N 53 121.833 121.833 119.872 1.961 25423
434 1 4 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.326 -0.175 25423
435 1 4 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.583 0.349 25423
436 1 4 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.555 0.419 25423
437 1 4 . 1 1 54 54 CYS N N 54 115.819 115.819 114.247 1.572 25423
438 1 4 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.339 0.056 25423
439 1 4 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.021 -0.839 25423
440 1 4 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.570 1.299 25423
441 1 4 . 1 1 54 54 CYS H H 54 7.719 7.719 6.971 0.748 25423
442 1 4 . 1 1 55 55 PHE N N 55 119.044 119.044 119.998 -0.954 25423
443 1 4 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423
444 1 4 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.737 -1.047 25423
445 1 4 . 1 1 55 55 PHE CB C 55 39.981 39.981 39.909 0.072 25423
446 1 4 . 1 1 55 55 PHE H H 55 8.790 8.790 8.461 0.329 25423
447 1 4 . 1 1 56 56 ASN N N 56 119.254 119.254 118.617 0.637 25423
448 1 4 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.209 0.126 25423
449 1 4 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.973 -0.726 25423
450 1 4 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.403 -0.100 25423
451 1 4 . 1 1 57 57 CYS N N 57 127.439 127.439 124.764 2.675 25423
452 1 4 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.199 -0.294 25423
453 1 4 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.550 0.866 25423
454 1 4 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.079 1.708 25423
455 1 4 . 1 1 57 57 CYS H H 57 9.404 9.404 8.719 0.685 25423
456 1 4 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.479 0.095 25423
457 1 4 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.552 -0.756 25423
458 1 4 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.857 0.055 25423
459 1 4 . 1 1 59 59 ILE N N 59 122.515 122.515 120.043 2.472 25423
460 1 4 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.851 0.068 25423
461 1 4 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.434 -1.350 25423
462 1 4 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.834 0.715 25423
463 1 4 . 1 1 60 60 CYS N N 60 119.620 119.620 114.194 5.426 25423
464 1 4 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.754 0.369 25423
465 1 4 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.300 -0.376 25423
466 1 4 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.630 2.226 25423
467 1 4 . 1 1 60 60 CYS H H 60 8.450 8.450 7.830 0.620 25423
468 1 4 . 1 1 61 61 ASP N N 61 119.453 119.453 120.567 -1.114 25423
469 1 4 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.418 0.256 25423
470 1 4 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.327 0.571 25423
471 1 4 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.194 1.255 25423
472 1 4 . 1 1 61 61 ASP H H 61 8.069 8.069 8.403 -0.334 25423
473 1 4 . 1 1 62 62 LYS N N 62 122.865 122.865 118.282 4.583 25423
474 1 4 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.472 -0.471 25423
475 1 4 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.550 2.594 25423
476 1 4 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.036 -0.165 25423
477 1 4 . 1 1 62 62 LYS H H 62 8.126 8.126 7.687 0.439 25423
478 1 4 . 1 1 63 63 ILE N N 63 123.398 123.398 118.570 4.828 25423
479 1 4 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.786 0.058 25423
480 1 4 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.965 -0.110 25423
481 1 4 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.318 -1.409 25423
482 1 4 . 1 1 64 64 PHE N N 64 124.921 124.921 120.968 3.953 25423
483 1 4 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.031 -0.166 25423
484 1 4 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.282 -1.013 25423
485 1 4 . 1 1 64 64 PHE CB C 64 41.393 41.393 41.336 0.057 25423
486 1 4 . 1 1 64 64 PHE H H 64 9.054 9.054 9.163 -0.109 25423
487 1 4 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.466 0.145 25423
488 1 4 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.430 -0.380 25423
489 1 4 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.271 0.354 25423
490 1 4 . 1 1 66 66 ALA N N 66 121.923 121.923 123.701 -1.778 25423
491 1 4 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.411 0.368 25423
492 1 4 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.101 -1.239 25423
493 1 4 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.543 -0.399 25423
494 1 4 . 1 1 66 66 ALA H H 66 8.271 8.271 7.936 0.335 25423
495 1 4 . 1 1 67 67 THR N N 67 104.076 104.076 108.509 -4.433 25423
496 1 4 . 1 1 67 67 THR HA H 67 4.232 4.232 4.255 -0.023 25423
497 1 4 . 1 1 67 67 THR CA C 67 61.824 61.824 63.112 -1.288 25423
498 1 4 . 1 1 67 67 THR CB C 67 68.103 68.103 68.501 -0.398 25423
499 1 4 . 1 1 68 68 GLU N N 68 122.788 122.788 121.896 0.892 25423
500 1 4 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.627 0.296 25423
501 1 4 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.511 -1.174 25423
502 1 4 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.346 -1.059 25423
503 1 4 . 1 1 68 68 GLU H H 68 7.879 7.879 8.503 -0.624 25423
504 1 4 . 1 1 69 69 LYS N N 69 121.136 121.136 119.890 1.246 25423
505 1 4 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.868 -0.434 25423
506 1 4 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.559 0.851 25423
507 1 4 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.804 0.496 25423
508 1 4 . 1 1 69 69 LYS H H 69 7.627 7.627 8.038 -0.411 25423
509 1 4 . 1 1 70 70 GLN N N 70 117.013 117.013 118.337 -1.324 25423
510 1 4 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.107 -0.189 25423
511 1 4 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.766 -0.103 25423
512 1 4 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.345 -0.592 25423
513 1 4 . 1 1 71 71 ILE N N 71 119.588 119.588 119.533 0.055 25423
514 1 4 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.807 -0.052 25423
515 1 4 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.181 -0.336 25423
516 1 4 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.653 -0.016 25423
517 1 4 . 1 1 72 72 PHE N N 72 122.393 122.393 121.463 0.930 25423
518 1 4 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.229 -0.262 25423
519 1 4 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.411 -0.975 25423
520 1 4 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.744 -1.338 25423
521 1 4 . 1 1 72 72 PHE H H 72 8.043 8.043 8.537 -0.494 25423
522 1 4 . 1 1 73 73 GLU N N 73 119.350 119.350 118.126 1.224 25423
523 1 4 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.653 -0.418 25423
524 1 4 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.090 0.286 25423
525 1 4 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.041 -0.572 25423
526 1 4 . 1 1 73 73 GLU H H 73 8.307 8.307 7.867 0.440 25423
527 1 4 . 1 1 74 74 ASP N N 74 120.085 120.085 120.638 -0.553 25423
528 1 4 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.521 -0.153 25423
529 1 4 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.053 -0.164 25423
530 1 4 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.967 -0.756 25423
531 1 4 . 1 1 74 74 ASP H H 74 8.130 8.130 7.799 0.331 25423
532 1 4 . 1 1 75 75 HIS N N 75 120.712 120.712 120.408 0.304 25423
533 1 4 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.286 -0.298 25423
534 1 4 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.801 -0.072 25423
535 1 4 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.197 -2.917 25423
536 1 4 . 1 1 75 75 HIS H H 75 8.037 8.037 8.193 -0.156 25423
537 1 4 . 1 1 76 76 VAL N N 76 119.276 119.276 119.275 0.001 25423
538 1 4 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.903 -0.465 25423
539 1 4 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.874 0.169 25423
540 1 4 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.431 0.217 25423
541 1 4 . 1 1 77 77 PHE N N 77 120.883 120.883 119.013 1.870 25423
542 1 4 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.143 0.041 25423
543 1 4 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.789 -1.251 25423
544 1 4 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.639 -0.023 25423
545 1 4 . 1 1 77 77 PHE H H 77 7.950 7.950 7.863 0.087 25423
546 1 4 . 1 1 78 78 CYS N N 78 116.956 116.956 117.404 -0.448 25423
547 1 4 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.002 -0.072 25423
548 1 4 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.663 -1.288 25423
549 1 4 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.617 -1.522 25423
550 1 4 . 1 1 78 78 CYS H H 78 8.017 8.017 7.720 0.297 25423
551 1 4 . 1 1 79 79 HIS N N 79 117.041 117.041 118.498 -1.457 25423
552 1 4 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.391 -0.004 25423
553 1 4 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.715 -0.805 25423
554 1 4 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.203 -0.728 25423
555 1 4 . 1 1 79 79 HIS H H 79 7.229 7.229 7.769 -0.540 25423
556 1 4 . 1 1 80 80 SER N N 80 114.684 114.684 114.020 0.664 25423
557 1 4 . 1 1 80 80 SER HA H 80 4.343 4.343 4.327 0.016 25423
558 1 4 . 1 1 80 80 SER CA C 80 58.448 58.448 59.478 -1.030 25423
559 1 4 . 1 1 80 80 SER CB C 80 63.471 63.471 63.636 -0.165 25423
560 1 4 . 1 1 80 80 SER H H 80 7.902 7.902 7.732 0.170 25423
561 1 5 . 1 1 50 50 MET N N 50 120.051 120.051 120.921 -0.870 25423
562 1 5 . 1 1 50 50 MET HA H 50 4.354 4.354 4.643 -0.289 25423
563 1 5 . 1 1 50 50 MET CA C 50 55.149 55.149 55.805 -0.656 25423
564 1 5 . 1 1 50 50 MET CB C 50 32.514 32.514 32.863 -0.349 25423
565 1 5 . 1 1 50 50 MET H H 50 7.944 7.944 8.278 -0.334 25423
566 1 5 . 1 1 51 51 GLN N N 51 122.311 122.311 123.095 -0.784 25423
567 1 5 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.276 0.238 25423
568 1 5 . 1 1 51 51 GLN CA C 51 53.303 53.303 59.862 -6.559 25423
569 1 5 . 1 1 51 51 GLN CB C 51 28.782 28.782 27.052 1.730 25423
570 1 5 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.171 0.136 25423
571 1 5 . 1 1 52 52 PRO CA C 52 62.481 62.481 64.859 -2.378 25423
572 1 5 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.380 0.471 25423
573 1 5 . 1 1 53 53 LEU N N 53 121.833 121.833 115.383 6.450 25423
574 1 5 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.172 -0.021 25423
575 1 5 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.074 -0.142 25423
576 1 5 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.934 0.040 25423
577 1 5 . 1 1 54 54 CYS N N 54 115.819 115.819 113.740 2.079 25423
578 1 5 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.443 -0.048 25423
579 1 5 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.011 0.171 25423
580 1 5 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.410 -0.541 25423
581 1 5 . 1 1 54 54 CYS H H 54 7.719 7.719 7.608 0.111 25423
582 1 5 . 1 1 55 55 PHE N N 55 119.044 119.044 117.815 1.229 25423
583 1 5 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.490 0.008 25423
584 1 5 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.289 -0.599 25423
585 1 5 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.519 -0.538 25423
586 1 5 . 1 1 55 55 PHE H H 55 8.790 8.790 8.651 0.139 25423
587 1 5 . 1 1 56 56 ASN N N 56 119.254 119.254 122.377 -3.123 25423
588 1 5 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.868 0.467 25423
589 1 5 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.473 -1.226 25423
590 1 5 . 1 1 56 56 ASN CB C 56 40.303 40.303 38.944 1.359 25423
591 1 5 . 1 1 57 57 CYS N N 57 127.439 127.439 125.123 2.316 25423
592 1 5 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.069 -0.164 25423
593 1 5 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.438 0.979 25423
594 1 5 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.891 1.896 25423
595 1 5 . 1 1 57 57 CYS H H 57 9.404 9.404 8.900 0.504 25423
596 1 5 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.457 0.117 25423
597 1 5 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.773 -0.977 25423
598 1 5 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.707 0.205 25423
599 1 5 . 1 1 59 59 ILE N N 59 122.515 122.515 119.053 3.462 25423
600 1 5 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.934 -0.015 25423
601 1 5 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.139 -1.055 25423
602 1 5 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.868 0.680 25423
603 1 5 . 1 1 60 60 CYS N N 60 119.620 119.620 116.922 2.698 25423
604 1 5 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.720 0.403 25423
605 1 5 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.193 -1.269 25423
606 1 5 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.032 1.824 25423
607 1 5 . 1 1 60 60 CYS H H 60 8.450 8.450 8.072 0.378 25423
608 1 5 . 1 1 61 61 ASP N N 61 119.453 119.453 117.204 2.249 25423
609 1 5 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.557 0.117 25423
610 1 5 . 1 1 61 61 ASP CA C 61 55.898 55.898 54.145 1.753 25423
611 1 5 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.439 0.010 25423
612 1 5 . 1 1 61 61 ASP H H 61 8.069 8.069 8.281 -0.212 25423
613 1 5 . 1 1 62 62 LYS N N 62 122.865 122.865 123.029 -0.164 25423
614 1 5 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.926 0.075 25423
615 1 5 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.378 0.766 25423
616 1 5 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.509 1.362 25423
617 1 5 . 1 1 62 62 LYS H H 62 8.126 8.126 7.780 0.346 25423
618 1 5 . 1 1 63 63 ILE N N 63 123.398 123.398 123.486 -0.088 25423
619 1 5 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.156 -0.312 25423
620 1 5 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.222 0.633 25423
621 1 5 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.412 -1.503 25423
622 1 5 . 1 1 64 64 PHE N N 64 124.921 124.921 120.853 4.068 25423
623 1 5 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.069 -0.204 25423
624 1 5 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.207 -0.938 25423
625 1 5 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.261 -0.868 25423
626 1 5 . 1 1 64 64 PHE H H 64 9.054 9.054 8.835 0.219 25423
627 1 5 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.209 0.402 25423
628 1 5 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.130 -1.080 25423
629 1 5 . 1 1 65 65 PRO CB C 65 32.625 32.625 31.940 0.685 25423
630 1 5 . 1 1 66 66 ALA N N 66 121.923 121.923 123.875 -1.952 25423
631 1 5 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.262 0.517 25423
632 1 5 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.893 -1.031 25423
633 1 5 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.652 -0.508 25423
634 1 5 . 1 1 66 66 ALA H H 66 8.271 8.271 8.518 -0.247 25423
635 1 5 . 1 1 67 67 THR N N 67 104.076 104.076 109.355 -5.279 25423
636 1 5 . 1 1 67 67 THR HA H 67 4.232 4.232 4.201 0.031 25423
637 1 5 . 1 1 67 67 THR CA C 67 61.824 61.824 64.628 -2.804 25423
638 1 5 . 1 1 67 67 THR CB C 67 68.103 68.103 68.664 -0.561 25423
639 1 5 . 1 1 68 68 GLU N N 68 122.788 122.788 121.475 1.313 25423
640 1 5 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.672 0.251 25423
641 1 5 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.627 -1.290 25423
642 1 5 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.562 -1.275 25423
643 1 5 . 1 1 68 68 GLU H H 68 7.879 7.879 7.898 -0.019 25423
644 1 5 . 1 1 69 69 LYS N N 69 121.136 121.136 119.902 1.234 25423
645 1 5 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.074 -0.640 25423
646 1 5 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.635 0.775 25423
647 1 5 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.810 0.490 25423
648 1 5 . 1 1 69 69 LYS H H 69 7.627 7.627 7.878 -0.251 25423
649 1 5 . 1 1 70 70 GLN N N 70 117.013 117.013 119.824 -2.811 25423
650 1 5 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.063 -0.145 25423
651 1 5 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.725 -0.062 25423
652 1 5 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.155 -0.402 25423
653 1 5 . 1 1 71 71 ILE N N 71 119.588 119.588 118.860 0.728 25423
654 1 5 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.661 0.094 25423
655 1 5 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.457 -0.612 25423
656 1 5 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.216 0.421 25423
657 1 5 . 1 1 72 72 PHE N N 72 122.393 122.393 120.961 1.432 25423
658 1 5 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.379 -0.412 25423
659 1 5 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.987 -1.551 25423
660 1 5 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.978 -1.572 25423
661 1 5 . 1 1 72 72 PHE H H 72 8.043 8.043 8.166 -0.123 25423
662 1 5 . 1 1 73 73 GLU N N 73 119.350 119.350 118.257 1.093 25423
663 1 5 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.843 -0.608 25423
664 1 5 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.096 0.280 25423
665 1 5 . 1 1 73 73 GLU CB C 73 28.469 28.469 28.879 -0.410 25423
666 1 5 . 1 1 73 73 GLU H H 73 8.307 8.307 7.663 0.644 25423
667 1 5 . 1 1 74 74 ASP N N 74 120.085 120.085 120.181 -0.096 25423
668 1 5 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.314 0.054 25423
669 1 5 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.985 -0.096 25423
670 1 5 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.688 -0.477 25423
671 1 5 . 1 1 74 74 ASP H H 74 8.130 8.130 7.717 0.413 25423
672 1 5 . 1 1 75 75 HIS N N 75 120.712 120.712 120.348 0.364 25423
673 1 5 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.207 -0.219 25423
674 1 5 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.727 0.002 25423
675 1 5 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.061 -2.781 25423
676 1 5 . 1 1 75 75 HIS H H 75 8.037 8.037 8.068 -0.031 25423
677 1 5 . 1 1 76 76 VAL N N 76 119.276 119.276 119.170 0.106 25423
678 1 5 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.882 -0.444 25423
679 1 5 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.820 0.223 25423
680 1 5 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.429 0.219 25423
681 1 5 . 1 1 77 77 PHE N N 77 120.883 120.883 118.970 1.913 25423
682 1 5 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.144 0.040 25423
683 1 5 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.710 -1.172 25423
684 1 5 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.579 0.037 25423
685 1 5 . 1 1 77 77 PHE H H 77 7.950 7.950 7.945 0.005 25423
686 1 5 . 1 1 78 78 CYS N N 78 116.956 116.956 117.129 -0.173 25423
687 1 5 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.987 -0.057 25423
688 1 5 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.683 -1.308 25423
689 1 5 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.578 -1.483 25423
690 1 5 . 1 1 78 78 CYS H H 78 8.017 8.017 7.698 0.319 25423
691 1 5 . 1 1 79 79 HIS N N 79 117.041 117.041 118.261 -1.220 25423
692 1 5 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.370 0.017 25423
693 1 5 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.525 -0.615 25423
694 1 5 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.262 -0.787 25423
695 1 5 . 1 1 79 79 HIS H H 79 7.229 7.229 7.659 -0.430 25423
696 1 5 . 1 1 80 80 SER N N 80 114.684 114.684 113.984 0.700 25423
697 1 5 . 1 1 80 80 SER HA H 80 4.343 4.343 4.302 0.041 25423
698 1 5 . 1 1 80 80 SER CA C 80 58.448 58.448 59.378 -0.930 25423
699 1 5 . 1 1 80 80 SER CB C 80 63.471 63.471 63.441 0.030 25423
700 1 5 . 1 1 80 80 SER H H 80 7.902 7.902 7.670 0.232 25423
701 1 6 . 1 1 50 50 MET N N 50 120.051 120.051 121.111 -1.060 25423
702 1 6 . 1 1 50 50 MET HA H 50 4.354 4.354 4.703 -0.349 25423
703 1 6 . 1 1 50 50 MET CA C 50 55.149 55.149 55.100 0.049 25423
704 1 6 . 1 1 50 50 MET CB C 50 32.514 32.514 34.117 -1.603 25423
705 1 6 . 1 1 50 50 MET H H 50 7.944 7.944 8.226 -0.282 25423
706 1 6 . 1 1 51 51 GLN N N 51 122.311 122.311 121.326 0.985 25423
707 1 6 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.770 -0.256 25423
708 1 6 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.165 -0.862 25423
709 1 6 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.757 -1.975 25423
710 1 6 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.579 -0.272 25423
711 1 6 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.283 -0.802 25423
712 1 6 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.632 1.218 25423
713 1 6 . 1 1 53 53 LEU N N 53 121.833 121.833 121.037 0.796 25423
714 1 6 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.344 -0.193 25423
715 1 6 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.335 0.597 25423
716 1 6 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.712 -0.738 25423
717 1 6 . 1 1 54 54 CYS N N 54 115.819 115.819 113.894 1.925 25423
718 1 6 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.259 0.136 25423
719 1 6 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.553 -0.371 25423
720 1 6 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.397 0.472 25423
721 1 6 . 1 1 54 54 CYS H H 54 7.719 7.719 6.954 0.765 25423
722 1 6 . 1 1 55 55 PHE N N 55 119.044 119.044 118.927 0.117 25423
723 1 6 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.393 0.105 25423
724 1 6 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.479 -0.789 25423
725 1 6 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.252 -0.271 25423
726 1 6 . 1 1 55 55 PHE H H 55 8.790 8.790 8.777 0.013 25423
727 1 6 . 1 1 56 56 ASN N N 56 119.254 119.254 122.052 -2.798 25423
728 1 6 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.787 0.548 25423
729 1 6 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.755 -1.508 25423
730 1 6 . 1 1 56 56 ASN CB C 56 40.303 40.303 38.895 1.408 25423
731 1 6 . 1 1 57 57 CYS N N 57 127.439 127.439 124.973 2.466 25423
732 1 6 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.079 -0.174 25423
733 1 6 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.471 0.945 25423
734 1 6 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.823 1.964 25423
735 1 6 . 1 1 57 57 CYS H H 57 9.404 9.404 8.845 0.559 25423
736 1 6 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.452 0.122 25423
737 1 6 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.779 -0.983 25423
738 1 6 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.711 0.201 25423
739 1 6 . 1 1 59 59 ILE N N 59 122.515 122.515 119.037 3.478 25423
740 1 6 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.924 -0.005 25423
741 1 6 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.161 -1.077 25423
742 1 6 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.873 0.676 25423
743 1 6 . 1 1 60 60 CYS N N 60 119.620 119.620 116.944 2.676 25423
744 1 6 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.705 0.418 25423
745 1 6 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.191 -1.267 25423
746 1 6 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.999 1.857 25423
747 1 6 . 1 1 60 60 CYS H H 60 8.450 8.450 8.074 0.376 25423
748 1 6 . 1 1 61 61 ASP N N 61 119.453 119.453 116.276 3.177 25423
749 1 6 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.520 0.154 25423
750 1 6 . 1 1 61 61 ASP CA C 61 55.898 55.898 53.880 2.018 25423
751 1 6 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.511 -0.062 25423
752 1 6 . 1 1 61 61 ASP H H 61 8.069 8.069 8.234 -0.165 25423
753 1 6 . 1 1 62 62 LYS N N 62 122.865 122.865 122.718 0.147 25423
754 1 6 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.846 0.155 25423
755 1 6 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.983 0.161 25423
756 1 6 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.430 1.441 25423
757 1 6 . 1 1 62 62 LYS H H 62 8.126 8.126 7.771 0.355 25423
758 1 6 . 1 1 63 63 ILE N N 63 123.398 123.398 122.741 0.657 25423
759 1 6 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.843 0.001 25423
760 1 6 . 1 1 63 63 ILE CA C 63 59.855 59.855 58.736 1.119 25423
761 1 6 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.444 -1.535 25423
762 1 6 . 1 1 64 64 PHE N N 64 124.921 124.921 119.449 5.472 25423
763 1 6 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.978 -0.113 25423
764 1 6 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.095 -0.826 25423
765 1 6 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.678 0.715 25423
766 1 6 . 1 1 64 64 PHE H H 64 9.054 9.054 8.394 0.660 25423
767 1 6 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.497 0.114 25423
768 1 6 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.467 -0.417 25423
769 1 6 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.064 0.561 25423
770 1 6 . 1 1 66 66 ALA N N 66 121.923 121.923 123.841 -1.918 25423
771 1 6 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.151 0.628 25423
772 1 6 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.870 -1.008 25423
773 1 6 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.608 -0.464 25423
774 1 6 . 1 1 66 66 ALA H H 66 8.271 8.271 7.843 0.428 25423
775 1 6 . 1 1 67 67 THR N N 67 104.076 104.076 109.437 -5.361 25423
776 1 6 . 1 1 67 67 THR HA H 67 4.232 4.232 4.203 0.029 25423
777 1 6 . 1 1 67 67 THR CA C 67 61.824 61.824 64.585 -2.761 25423
778 1 6 . 1 1 67 67 THR CB C 67 68.103 68.103 68.624 -0.521 25423
779 1 6 . 1 1 68 68 GLU N N 68 122.788 122.788 121.512 1.276 25423
780 1 6 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.625 0.298 25423
781 1 6 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.589 -1.252 25423
782 1 6 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.355 -1.069 25423
783 1 6 . 1 1 68 68 GLU H H 68 7.879 7.879 8.116 -0.237 25423
784 1 6 . 1 1 69 69 LYS N N 69 121.136 121.136 119.751 1.385 25423
785 1 6 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.113 -0.679 25423
786 1 6 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.640 0.770 25423
787 1 6 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.817 0.483 25423
788 1 6 . 1 1 69 69 LYS H H 69 7.627 7.627 7.903 -0.276 25423
789 1 6 . 1 1 70 70 GLN N N 70 117.013 117.013 118.843 -1.830 25423
790 1 6 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.123 -0.205 25423
791 1 6 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.745 -0.082 25423
792 1 6 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.486 -0.733 25423
793 1 6 . 1 1 71 71 ILE N N 71 119.588 119.588 119.518 0.070 25423
794 1 6 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.630 0.125 25423
795 1 6 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.461 -0.616 25423
796 1 6 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.545 0.092 25423
797 1 6 . 1 1 72 72 PHE N N 72 122.393 122.393 121.122 1.271 25423
798 1 6 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.506 -0.539 25423
799 1 6 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.111 -1.675 25423
800 1 6 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.081 -1.675 25423
801 1 6 . 1 1 72 72 PHE H H 72 8.043 8.043 7.994 0.049 25423
802 1 6 . 1 1 73 73 GLU N N 73 119.350 119.350 118.008 1.342 25423
803 1 6 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.851 -0.616 25423
804 1 6 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.097 0.279 25423
805 1 6 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.015 -0.546 25423
806 1 6 . 1 1 73 73 GLU H H 73 8.307 8.307 7.830 0.477 25423
807 1 6 . 1 1 74 74 ASP N N 74 120.085 120.085 120.132 -0.047 25423
808 1 6 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.460 -0.092 25423
809 1 6 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.651 0.238 25423
810 1 6 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.016 -0.805 25423
811 1 6 . 1 1 74 74 ASP H H 74 8.130 8.130 7.767 0.363 25423
812 1 6 . 1 1 75 75 HIS N N 75 120.712 120.712 119.736 0.976 25423
813 1 6 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.239 -0.251 25423
814 1 6 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.358 0.371 25423
815 1 6 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.083 -2.803 25423
816 1 6 . 1 1 75 75 HIS H H 75 8.037 8.037 8.172 -0.135 25423
817 1 6 . 1 1 76 76 VAL N N 76 119.276 119.276 118.712 0.564 25423
818 1 6 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.874 -0.436 25423
819 1 6 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.621 0.422 25423
820 1 6 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.241 0.408 25423
821 1 6 . 1 1 77 77 PHE N N 77 120.883 120.883 120.169 0.714 25423
822 1 6 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.173 0.011 25423
823 1 6 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.670 -1.132 25423
824 1 6 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.698 -0.082 25423
825 1 6 . 1 1 77 77 PHE H H 77 7.950 7.950 7.873 0.077 25423
826 1 6 . 1 1 78 78 CYS N N 78 116.956 116.956 116.953 0.003 25423
827 1 6 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.907 0.023 25423
828 1 6 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.144 -0.769 25423
829 1 6 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.408 -1.313 25423
830 1 6 . 1 1 78 78 CYS H H 78 8.017 8.017 7.821 0.196 25423
831 1 6 . 1 1 79 79 HIS N N 79 117.041 117.041 118.627 -1.586 25423
832 1 6 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.348 0.039 25423
833 1 6 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.631 -0.721 25423
834 1 6 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.174 -0.699 25423
835 1 6 . 1 1 79 79 HIS H H 79 7.229 7.229 7.592 -0.363 25423
836 1 6 . 1 1 80 80 SER N N 80 114.684 114.684 113.895 0.789 25423
837 1 6 . 1 1 80 80 SER HA H 80 4.343 4.343 4.295 0.048 25423
838 1 6 . 1 1 80 80 SER CA C 80 58.448 58.448 59.994 -1.546 25423
839 1 6 . 1 1 80 80 SER CB C 80 63.471 63.471 63.574 -0.103 25423
840 1 6 . 1 1 80 80 SER H H 80 7.902 7.902 7.720 0.182 25423
841 1 7 . 1 1 50 50 MET N N 50 120.051 120.051 122.856 -2.805 25423
842 1 7 . 1 1 50 50 MET HA H 50 4.354 4.354 4.621 -0.267 25423
843 1 7 . 1 1 50 50 MET CA C 50 55.149 55.149 55.876 -0.727 25423
844 1 7 . 1 1 50 50 MET CB C 50 32.514 32.514 32.267 0.247 25423
845 1 7 . 1 1 50 50 MET H H 50 7.944 7.944 8.524 -0.580 25423
846 1 7 . 1 1 51 51 GLN N N 51 122.311 122.311 123.805 -1.494 25423
847 1 7 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.696 -0.182 25423
848 1 7 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.155 -0.852 25423
849 1 7 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.439 -1.657 25423
850 1 7 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.348 -0.041 25423
851 1 7 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.069 -0.588 25423
852 1 7 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.926 0.924 25423
853 1 7 . 1 1 53 53 LEU N N 53 121.833 121.833 122.671 -0.838 25423
854 1 7 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.270 -0.119 25423
855 1 7 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.346 -0.414 25423
856 1 7 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.905 0.069 25423
857 1 7 . 1 1 54 54 CYS N N 54 115.819 115.819 113.200 2.619 25423
858 1 7 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.608 -0.213 25423
859 1 7 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.077 -0.895 25423
860 1 7 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.905 -0.036 25423
861 1 7 . 1 1 54 54 CYS H H 54 7.719 7.719 7.163 0.556 25423
862 1 7 . 1 1 55 55 PHE N N 55 119.044 119.044 119.836 -0.792 25423
863 1 7 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.348 0.150 25423
864 1 7 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.211 -1.521 25423
865 1 7 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.859 -1.878 25423
866 1 7 . 1 1 55 55 PHE H H 55 8.790 8.790 8.911 -0.121 25423
867 1 7 . 1 1 56 56 ASN N N 56 119.254 119.254 122.267 -3.013 25423
868 1 7 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.269 0.066 25423
869 1 7 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.109 -1.862 25423
870 1 7 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.344 0.959 25423
871 1 7 . 1 1 57 57 CYS N N 57 127.439 127.439 124.838 2.601 25423
872 1 7 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.074 -0.169 25423
873 1 7 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.510 0.906 25423
874 1 7 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.136 1.651 25423
875 1 7 . 1 1 57 57 CYS H H 57 9.404 9.404 8.887 0.517 25423
876 1 7 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.603 -0.029 25423
877 1 7 . 1 1 58 58 PRO CA C 58 63.796 63.796 63.798 -0.002 25423
878 1 7 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.268 0.644 25423
879 1 7 . 1 1 59 59 ILE N N 59 122.515 122.515 119.112 3.403 25423
880 1 7 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.117 -0.198 25423
881 1 7 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.472 -0.388 25423
882 1 7 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.855 -0.306 25423
883 1 7 . 1 1 60 60 CYS N N 60 119.620 119.620 115.728 3.892 25423
884 1 7 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.812 0.311 25423
885 1 7 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.322 -0.398 25423
886 1 7 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.750 2.106 25423
887 1 7 . 1 1 60 60 CYS H H 60 8.450 8.450 7.930 0.520 25423
888 1 7 . 1 1 61 61 ASP N N 61 119.453 119.453 120.346 -0.893 25423
889 1 7 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.510 0.164 25423
890 1 7 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.473 0.425 25423
891 1 7 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.518 0.931 25423
892 1 7 . 1 1 61 61 ASP H H 61 8.069 8.069 8.406 -0.337 25423
893 1 7 . 1 1 62 62 LYS N N 62 122.865 122.865 118.748 4.117 25423
894 1 7 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.236 -0.235 25423
895 1 7 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.030 1.114 25423
896 1 7 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.440 0.431 25423
897 1 7 . 1 1 62 62 LYS H H 62 8.126 8.126 7.889 0.237 25423
898 1 7 . 1 1 63 63 ILE N N 63 123.398 123.398 118.797 4.601 25423
899 1 7 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.616 0.228 25423
900 1 7 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.797 -0.943 25423
901 1 7 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.110 -1.201 25423
902 1 7 . 1 1 64 64 PHE N N 64 124.921 124.921 123.391 1.530 25423
903 1 7 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.976 -0.111 25423
904 1 7 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.849 -1.580 25423
905 1 7 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.715 -1.323 25423
906 1 7 . 1 1 64 64 PHE H H 64 9.054 9.054 8.417 0.637 25423
907 1 7 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.397 0.214 25423
908 1 7 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.045 -0.995 25423
909 1 7 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.057 0.568 25423
910 1 7 . 1 1 66 66 ALA N N 66 121.923 121.923 123.930 -2.007 25423
911 1 7 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.888 -0.109 25423
912 1 7 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.203 -1.341 25423
913 1 7 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.703 -0.559 25423
914 1 7 . 1 1 66 66 ALA H H 66 8.271 8.271 8.046 0.225 25423
915 1 7 . 1 1 67 67 THR N N 67 104.076 104.076 109.731 -5.655 25423
916 1 7 . 1 1 67 67 THR HA H 67 4.232 4.232 4.213 0.019 25423
917 1 7 . 1 1 67 67 THR CA C 67 61.824 61.824 64.089 -2.265 25423
918 1 7 . 1 1 67 67 THR CB C 67 68.103 68.103 68.498 -0.395 25423
919 1 7 . 1 1 68 68 GLU N N 68 122.788 122.788 121.600 1.188 25423
920 1 7 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.648 0.275 25423
921 1 7 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.538 -1.201 25423
922 1 7 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.965 -0.678 25423
923 1 7 . 1 1 68 68 GLU H H 68 7.879 7.879 8.170 -0.291 25423
924 1 7 . 1 1 69 69 LYS N N 69 121.136 121.136 120.138 0.998 25423
925 1 7 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.119 -0.685 25423
926 1 7 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.879 0.531 25423
927 1 7 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.822 0.478 25423
928 1 7 . 1 1 69 69 LYS H H 69 7.627 7.627 7.742 -0.115 25423
929 1 7 . 1 1 70 70 GLN N N 70 117.013 117.013 118.491 -1.478 25423
930 1 7 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.073 -0.155 25423
931 1 7 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.230 -0.568 25423
932 1 7 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.591 -0.838 25423
933 1 7 . 1 1 71 71 ILE N N 71 119.588 119.588 119.251 0.337 25423
934 1 7 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.755 -0.000 25423
935 1 7 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.308 -0.463 25423
936 1 7 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.622 0.015 25423
937 1 7 . 1 1 72 72 PHE N N 72 122.393 122.393 121.425 0.968 25423
938 1 7 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.185 -0.218 25423
939 1 7 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.014 -1.578 25423
940 1 7 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.885 -1.479 25423
941 1 7 . 1 1 72 72 PHE H H 72 8.043 8.043 8.514 -0.471 25423
942 1 7 . 1 1 73 73 GLU N N 73 119.350 119.350 118.543 0.807 25423
943 1 7 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.719 -0.484 25423
944 1 7 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.586 -0.210 25423
945 1 7 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.275 -0.806 25423
946 1 7 . 1 1 73 73 GLU H H 73 8.307 8.307 7.671 0.636 25423
947 1 7 . 1 1 74 74 ASP N N 74 120.085 120.085 119.809 0.276 25423
948 1 7 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.414 -0.046 25423
949 1 7 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.126 -0.236 25423
950 1 7 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.986 -0.775 25423
951 1 7 . 1 1 74 74 ASP H H 74 8.130 8.130 7.677 0.453 25423
952 1 7 . 1 1 75 75 HIS N N 75 120.712 120.712 119.872 0.840 25423
953 1 7 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.223 -0.235 25423
954 1 7 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.653 0.076 25423
955 1 7 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.997 -2.716 25423
956 1 7 . 1 1 75 75 HIS H H 75 8.037 8.037 8.141 -0.104 25423
957 1 7 . 1 1 76 76 VAL N N 76 119.276 119.276 118.544 0.732 25423
958 1 7 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.864 -0.426 25423
959 1 7 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.722 0.321 25423
960 1 7 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.096 0.552 25423
961 1 7 . 1 1 77 77 PHE N N 77 120.883 120.883 119.871 1.012 25423
962 1 7 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.134 0.050 25423
963 1 7 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.441 -0.903 25423
964 1 7 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.821 -0.205 25423
965 1 7 . 1 1 77 77 PHE H H 77 7.950 7.950 7.916 0.034 25423
966 1 7 . 1 1 78 78 CYS N N 78 116.956 116.956 117.447 -0.491 25423
967 1 7 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.091 -0.161 25423
968 1 7 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.343 0.032 25423
969 1 7 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.732 -0.637 25423
970 1 7 . 1 1 78 78 CYS H H 78 8.017 8.017 7.791 0.226 25423
971 1 7 . 1 1 79 79 HIS N N 79 117.041 117.041 118.271 -1.230 25423
972 1 7 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.353 0.034 25423
973 1 7 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.695 -0.785 25423
974 1 7 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.246 -0.771 25423
975 1 7 . 1 1 79 79 HIS H H 79 7.229 7.229 7.557 -0.328 25423
976 1 7 . 1 1 80 80 SER N N 80 114.684 114.684 113.903 0.781 25423
977 1 7 . 1 1 80 80 SER HA H 80 4.343 4.343 4.283 0.060 25423
978 1 7 . 1 1 80 80 SER CA C 80 58.448 58.448 59.643 -1.195 25423
979 1 7 . 1 1 80 80 SER CB C 80 63.471 63.471 63.371 0.100 25423
980 1 7 . 1 1 80 80 SER H H 80 7.902 7.902 7.668 0.234 25423
981 1 8 . 1 1 50 50 MET N N 50 120.051 120.051 121.170 -1.119 25423
982 1 8 . 1 1 50 50 MET HA H 50 4.354 4.354 4.634 -0.280 25423
983 1 8 . 1 1 50 50 MET CA C 50 55.149 55.149 57.021 -1.872 25423
984 1 8 . 1 1 50 50 MET CB C 50 32.514 32.514 33.492 -0.978 25423
985 1 8 . 1 1 50 50 MET H H 50 7.944 7.944 8.625 -0.681 25423
986 1 8 . 1 1 51 51 GLN N N 51 122.311 122.311 117.550 4.761 25423
987 1 8 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.579 -0.065 25423
988 1 8 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.980 -0.677 25423
989 1 8 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.868 -0.086 25423
990 1 8 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.308 -0.001 25423
991 1 8 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.375 -0.894 25423
992 1 8 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.932 -0.082 25423
993 1 8 . 1 1 53 53 LEU N N 53 121.833 121.833 118.287 3.546 25423
994 1 8 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.944 0.207 25423
995 1 8 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.165 -0.233 25423
996 1 8 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.754 1.220 25423
997 1 8 . 1 1 54 54 CYS N N 54 115.819 115.819 111.620 4.199 25423
998 1 8 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.523 -0.128 25423
999 1 8 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.592 -0.409 25423
1000 1 8 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.946 -0.077 25423
1001 1 8 . 1 1 54 54 CYS H H 54 7.719 7.719 7.288 0.431 25423
1002 1 8 . 1 1 55 55 PHE N N 55 119.044 119.044 122.026 -2.982 25423
1003 1 8 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.457 0.041 25423
1004 1 8 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.078 -1.388 25423
1005 1 8 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.786 -1.805 25423
1006 1 8 . 1 1 55 55 PHE H H 55 8.790 8.790 9.190 -0.400 25423
1007 1 8 . 1 1 56 56 ASN N N 56 119.254 119.254 117.546 1.708 25423
1008 1 8 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.944 0.391 25423
1009 1 8 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.473 -0.226 25423
1010 1 8 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.441 0.862 25423
1011 1 8 . 1 1 57 57 CYS N N 57 127.439 127.439 122.692 4.747 25423
1012 1 8 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.147 -0.242 25423
1013 1 8 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.438 0.978 25423
1014 1 8 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.506 1.281 25423
1015 1 8 . 1 1 57 57 CYS H H 57 9.404 9.404 8.670 0.734 25423
1016 1 8 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.472 0.102 25423
1017 1 8 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.531 -0.735 25423
1018 1 8 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.975 -0.063 25423
1019 1 8 . 1 1 59 59 ILE N N 59 122.515 122.515 120.186 2.329 25423
1020 1 8 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.838 0.081 25423
1021 1 8 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.542 -1.458 25423
1022 1 8 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.777 0.772 25423
1023 1 8 . 1 1 60 60 CYS N N 60 119.620 119.620 114.190 5.430 25423
1024 1 8 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.789 0.334 25423
1025 1 8 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.474 -0.550 25423
1026 1 8 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.510 2.346 25423
1027 1 8 . 1 1 60 60 CYS H H 60 8.450 8.450 7.826 0.624 25423
1028 1 8 . 1 1 61 61 ASP N N 61 119.453 119.453 118.926 0.527 25423
1029 1 8 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.413 0.261 25423
1030 1 8 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.268 0.630 25423
1031 1 8 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.135 2.314 25423
1032 1 8 . 1 1 61 61 ASP H H 61 8.069 8.069 8.403 -0.334 25423
1033 1 8 . 1 1 62 62 LYS N N 62 122.865 122.865 118.938 3.927 25423
1034 1 8 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.455 -0.454 25423
1035 1 8 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.653 2.491 25423
1036 1 8 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.162 -0.291 25423
1037 1 8 . 1 1 62 62 LYS H H 62 8.126 8.126 7.634 0.492 25423
1038 1 8 . 1 1 63 63 ILE N N 63 123.398 123.398 119.810 3.588 25423
1039 1 8 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.392 0.452 25423
1040 1 8 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.164 -0.309 25423
1041 1 8 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.987 -1.078 25423
1042 1 8 . 1 1 64 64 PHE N N 64 124.921 124.921 122.061 2.860 25423
1043 1 8 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.095 -0.230 25423
1044 1 8 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.769 -0.500 25423
1045 1 8 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.804 1.589 25423
1046 1 8 . 1 1 64 64 PHE H H 64 9.054 9.054 9.040 0.014 25423
1047 1 8 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.368 0.243 25423
1048 1 8 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.157 -1.107 25423
1049 1 8 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.005 0.620 25423
1050 1 8 . 1 1 66 66 ALA N N 66 121.923 121.923 123.487 -1.564 25423
1051 1 8 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.842 -0.063 25423
1052 1 8 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.928 -1.066 25423
1053 1 8 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.726 -0.582 25423
1054 1 8 . 1 1 66 66 ALA H H 66 8.271 8.271 8.012 0.259 25423
1055 1 8 . 1 1 67 67 THR N N 67 104.076 104.076 109.622 -5.546 25423
1056 1 8 . 1 1 67 67 THR HA H 67 4.232 4.232 4.204 0.028 25423
1057 1 8 . 1 1 67 67 THR CA C 67 61.824 61.824 63.706 -1.881 25423
1058 1 8 . 1 1 67 67 THR CB C 67 68.103 68.103 68.356 -0.253 25423
1059 1 8 . 1 1 68 68 GLU N N 68 122.788 122.788 121.732 1.056 25423
1060 1 8 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.597 0.326 25423
1061 1 8 . 1 1 68 68 GLU CA C 68 54.337 54.337 54.825 -0.488 25423
1062 1 8 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.576 -0.289 25423
1063 1 8 . 1 1 68 68 GLU H H 68 7.879 7.879 8.076 -0.197 25423
1064 1 8 . 1 1 69 69 LYS N N 69 121.136 121.136 119.779 1.357 25423
1065 1 8 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.100 -0.666 25423
1066 1 8 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.672 0.738 25423
1067 1 8 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.896 0.404 25423
1068 1 8 . 1 1 69 69 LYS H H 69 7.627 7.627 7.834 -0.207 25423
1069 1 8 . 1 1 70 70 GLN N N 70 117.013 117.013 118.225 -1.212 25423
1070 1 8 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.067 -0.149 25423
1071 1 8 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.659 0.004 25423
1072 1 8 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.606 -0.853 25423
1073 1 8 . 1 1 71 71 ILE N N 71 119.588 119.588 120.189 -0.601 25423
1074 1 8 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.738 0.017 25423
1075 1 8 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.984 -0.139 25423
1076 1 8 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.666 -0.029 25423
1077 1 8 . 1 1 72 72 PHE N N 72 122.393 122.393 121.176 1.217 25423
1078 1 8 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.772 -0.805 25423
1079 1 8 . 1 1 72 72 PHE CA C 72 59.436 59.436 59.991 -0.555 25423
1080 1 8 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.721 -1.315 25423
1081 1 8 . 1 1 72 72 PHE H H 72 8.043 8.043 8.566 -0.523 25423
1082 1 8 . 1 1 73 73 GLU N N 73 119.350 119.350 118.924 0.426 25423
1083 1 8 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.678 -0.443 25423
1084 1 8 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.461 -0.085 25423
1085 1 8 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.116 -0.647 25423
1086 1 8 . 1 1 73 73 GLU H H 73 8.307 8.307 7.669 0.638 25423
1087 1 8 . 1 1 74 74 ASP N N 74 120.085 120.085 119.597 0.488 25423
1088 1 8 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.407 -0.039 25423
1089 1 8 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.869 0.020 25423
1090 1 8 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.126 -0.915 25423
1091 1 8 . 1 1 74 74 ASP H H 74 8.130 8.130 7.723 0.407 25423
1092 1 8 . 1 1 75 75 HIS N N 75 120.712 120.712 119.993 0.719 25423
1093 1 8 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.302 -0.314 25423
1094 1 8 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.477 0.252 25423
1095 1 8 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.210 -2.930 25423
1096 1 8 . 1 1 75 75 HIS H H 75 8.037 8.037 8.260 -0.223 25423
1097 1 8 . 1 1 76 76 VAL N N 76 119.276 119.276 118.885 0.391 25423
1098 1 8 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.952 -0.514 25423
1099 1 8 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.376 0.667 25423
1100 1 8 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.404 0.244 25423
1101 1 8 . 1 1 77 77 PHE N N 77 120.883 120.883 120.553 0.330 25423
1102 1 8 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.124 0.060 25423
1103 1 8 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.607 -1.069 25423
1104 1 8 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.783 -0.167 25423
1105 1 8 . 1 1 77 77 PHE H H 77 7.950 7.950 7.882 0.068 25423
1106 1 8 . 1 1 78 78 CYS N N 78 116.956 116.956 117.062 -0.106 25423
1107 1 8 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.933 -0.003 25423
1108 1 8 . 1 1 78 78 CYS CA C 78 62.375 62.375 64.083 -1.708 25423
1109 1 8 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.989 -0.894 25423
1110 1 8 . 1 1 78 78 CYS H H 78 8.017 8.017 7.762 0.255 25423
1111 1 8 . 1 1 79 79 HIS N N 79 117.041 117.041 118.479 -1.438 25423
1112 1 8 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.367 0.020 25423
1113 1 8 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.818 -0.908 25423
1114 1 8 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.223 -0.748 25423
1115 1 8 . 1 1 79 79 HIS H H 79 7.229 7.229 7.656 -0.427 25423
1116 1 8 . 1 1 80 80 SER N N 80 114.684 114.684 114.034 0.650 25423
1117 1 8 . 1 1 80 80 SER HA H 80 4.343 4.343 4.295 0.048 25423
1118 1 8 . 1 1 80 80 SER CA C 80 58.448 58.448 59.729 -1.281 25423
1119 1 8 . 1 1 80 80 SER CB C 80 63.471 63.471 63.502 -0.031 25423
1120 1 8 . 1 1 80 80 SER H H 80 7.902 7.902 7.680 0.222 25423
1121 1 9 . 1 1 50 50 MET N N 50 120.051 120.051 122.582 -2.531 25423
1122 1 9 . 1 1 50 50 MET HA H 50 4.354 4.354 4.639 -0.285 25423
1123 1 9 . 1 1 50 50 MET CA C 50 55.149 55.149 55.185 -0.036 25423
1124 1 9 . 1 1 50 50 MET CB C 50 32.514 32.514 32.529 -0.015 25423
1125 1 9 . 1 1 50 50 MET H H 50 7.944 7.944 8.222 -0.278 25423
1126 1 9 . 1 1 51 51 GLN N N 51 122.311 122.311 120.348 1.963 25423
1127 1 9 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.606 -0.092 25423
1128 1 9 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.623 -1.320 25423
1129 1 9 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.960 -1.178 25423
1130 1 9 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.361 -0.054 25423
1131 1 9 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.518 -1.037 25423
1132 1 9 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.068 -0.218 25423
1133 1 9 . 1 1 53 53 LEU N N 53 121.833 121.833 115.499 6.334 25423
1134 1 9 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.987 0.164 25423
1135 1 9 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.177 -0.245 25423
1136 1 9 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.912 1.062 25423
1137 1 9 . 1 1 54 54 CYS N N 54 115.819 115.819 114.860 0.959 25423
1138 1 9 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.851 -0.456 25423
1139 1 9 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.814 -0.632 25423
1140 1 9 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.527 -1.658 25423
1141 1 9 . 1 1 54 54 CYS H H 54 7.719 7.719 7.391 0.328 25423
1142 1 9 . 1 1 55 55 PHE N N 55 119.044 119.044 118.196 0.848 25423
1143 1 9 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.576 -0.078 25423
1144 1 9 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.588 -0.898 25423
1145 1 9 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.219 -2.238 25423
1146 1 9 . 1 1 55 55 PHE H H 55 8.790 8.790 9.121 -0.331 25423
1147 1 9 . 1 1 56 56 ASN N N 56 119.254 119.254 118.123 1.131 25423
1148 1 9 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.411 -0.076 25423
1149 1 9 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.710 -1.463 25423
1150 1 9 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.725 -0.422 25423
1151 1 9 . 1 1 57 57 CYS N N 57 127.439 127.439 125.092 2.347 25423
1152 1 9 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.212 -0.307 25423
1153 1 9 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.962 0.454 25423
1154 1 9 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.747 2.040 25423
1155 1 9 . 1 1 57 57 CYS H H 57 9.404 9.404 9.177 0.227 25423
1156 1 9 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.435 0.139 25423
1157 1 9 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.148 -1.352 25423
1158 1 9 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.713 0.199 25423
1159 1 9 . 1 1 59 59 ILE N N 59 122.515 122.515 118.872 3.643 25423
1160 1 9 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.870 0.049 25423
1161 1 9 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.348 -1.264 25423
1162 1 9 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.918 0.631 25423
1163 1 9 . 1 1 60 60 CYS N N 60 119.620 119.620 114.015 5.605 25423
1164 1 9 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.784 0.339 25423
1165 1 9 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.382 -0.458 25423
1166 1 9 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.264 1.592 25423
1167 1 9 . 1 1 60 60 CYS H H 60 8.450 8.450 7.927 0.523 25423
1168 1 9 . 1 1 61 61 ASP N N 61 119.453 119.453 120.333 -0.880 25423
1169 1 9 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.491 0.183 25423
1170 1 9 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.536 0.362 25423
1171 1 9 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.562 0.887 25423
1172 1 9 . 1 1 61 61 ASP H H 61 8.069 8.069 8.756 -0.687 25423
1173 1 9 . 1 1 62 62 LYS N N 62 122.865 122.865 119.199 3.666 25423
1174 1 9 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.152 -0.151 25423
1175 1 9 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.149 0.995 25423
1176 1 9 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.216 0.655 25423
1177 1 9 . 1 1 62 62 LYS H H 62 8.126 8.126 7.765 0.361 25423
1178 1 9 . 1 1 63 63 ILE N N 63 123.398 123.398 120.923 2.475 25423
1179 1 9 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.744 0.100 25423
1180 1 9 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.433 -0.578 25423
1181 1 9 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.934 -1.025 25423
1182 1 9 . 1 1 64 64 PHE N N 64 124.921 124.921 122.938 1.983 25423
1183 1 9 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.991 -0.126 25423
1184 1 9 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.434 -1.165 25423
1185 1 9 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.466 -1.073 25423
1186 1 9 . 1 1 64 64 PHE H H 64 9.054 9.054 8.441 0.613 25423
1187 1 9 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.394 0.217 25423
1188 1 9 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.699 -0.649 25423
1189 1 9 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.247 0.378 25423
1190 1 9 . 1 1 66 66 ALA N N 66 121.923 121.923 125.048 -3.125 25423
1191 1 9 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.382 -0.603 25423
1192 1 9 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.316 -1.454 25423
1193 1 9 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.747 -0.603 25423
1194 1 9 . 1 1 66 66 ALA H H 66 8.271 8.271 8.783 -0.512 25423
1195 1 9 . 1 1 67 67 THR N N 67 104.076 104.076 109.877 -5.801 25423
1196 1 9 . 1 1 67 67 THR HA H 67 4.232 4.232 4.215 0.017 25423
1197 1 9 . 1 1 67 67 THR CA C 67 61.824 61.824 64.317 -2.493 25423
1198 1 9 . 1 1 67 67 THR CB C 67 68.103 68.103 68.382 -0.279 25423
1199 1 9 . 1 1 68 68 GLU N N 68 122.788 122.788 121.252 1.536 25423
1200 1 9 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.581 0.342 25423
1201 1 9 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.561 -1.224 25423
1202 1 9 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.153 -0.866 25423
1203 1 9 . 1 1 68 68 GLU H H 68 7.879 7.879 8.177 -0.298 25423
1204 1 9 . 1 1 69 69 LYS N N 69 121.136 121.136 120.879 0.257 25423
1205 1 9 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.482 -0.048 25423
1206 1 9 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.723 0.687 25423
1207 1 9 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.228 0.071 25423
1208 1 9 . 1 1 69 69 LYS H H 69 7.627 7.627 7.657 -0.030 25423
1209 1 9 . 1 1 70 70 GLN N N 70 117.013 117.013 118.606 -1.593 25423
1210 1 9 . 1 1 70 70 GLN HA H 70 3.918 3.918 3.955 -0.037 25423
1211 1 9 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.197 -0.534 25423
1212 1 9 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.297 -0.544 25423
1213 1 9 . 1 1 71 71 ILE N N 71 119.588 119.588 118.984 0.604 25423
1214 1 9 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.641 0.114 25423
1215 1 9 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.330 -0.485 25423
1216 1 9 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.336 0.301 25423
1217 1 9 . 1 1 72 72 PHE N N 72 122.393 122.393 121.196 1.197 25423
1218 1 9 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.276 -0.309 25423
1219 1 9 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.529 -1.093 25423
1220 1 9 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.580 -1.173 25423
1221 1 9 . 1 1 72 72 PHE H H 72 8.043 8.043 7.846 0.197 25423
1222 1 9 . 1 1 73 73 GLU N N 73 119.350 119.350 118.242 1.108 25423
1223 1 9 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.768 -0.533 25423
1224 1 9 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.699 -0.323 25423
1225 1 9 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.140 -0.671 25423
1226 1 9 . 1 1 73 73 GLU H H 73 8.307 8.307 7.613 0.694 25423
1227 1 9 . 1 1 74 74 ASP N N 74 120.085 120.085 119.933 0.152 25423
1228 1 9 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.362 0.006 25423
1229 1 9 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.307 -0.418 25423
1230 1 9 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.959 -0.748 25423
1231 1 9 . 1 1 74 74 ASP H H 74 8.130 8.130 7.683 0.447 25423
1232 1 9 . 1 1 75 75 HIS N N 75 120.712 120.712 120.182 0.530 25423
1233 1 9 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.209 -0.221 25423
1234 1 9 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.285 0.444 25423
1235 1 9 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.049 -2.769 25423
1236 1 9 . 1 1 75 75 HIS H H 75 8.037 8.037 8.158 -0.121 25423
1237 1 9 . 1 1 76 76 VAL N N 76 119.276 119.276 118.649 0.627 25423
1238 1 9 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.899 -0.461 25423
1239 1 9 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.835 0.208 25423
1240 1 9 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.196 0.452 25423
1241 1 9 . 1 1 77 77 PHE N N 77 120.883 120.883 119.079 1.804 25423
1242 1 9 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.292 -0.108 25423
1243 1 9 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.710 -1.172 25423
1244 1 9 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.584 0.033 25423
1245 1 9 . 1 1 77 77 PHE H H 77 7.950 7.950 7.956 -0.006 25423
1246 1 9 . 1 1 78 78 CYS N N 78 116.956 116.956 117.077 -0.121 25423
1247 1 9 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.972 -0.042 25423
1248 1 9 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.919 -0.544 25423
1249 1 9 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.399 -1.304 25423
1250 1 9 . 1 1 78 78 CYS H H 78 8.017 8.017 7.735 0.282 25423
1251 1 9 . 1 1 79 79 HIS N N 79 117.041 117.041 118.448 -1.407 25423
1252 1 9 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.361 0.026 25423
1253 1 9 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.620 -0.710 25423
1254 1 9 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.262 -0.786 25423
1255 1 9 . 1 1 79 79 HIS H H 79 7.229 7.229 7.676 -0.447 25423
1256 1 9 . 1 1 80 80 SER N N 80 114.684 114.684 113.919 0.765 25423
1257 1 9 . 1 1 80 80 SER HA H 80 4.343 4.343 4.249 0.094 25423
1258 1 9 . 1 1 80 80 SER CA C 80 58.448 58.448 59.577 -1.129 25423
1259 1 9 . 1 1 80 80 SER CB C 80 63.471 63.471 63.510 -0.039 25423
1260 1 9 . 1 1 80 80 SER H H 80 7.902 7.902 7.748 0.154 25423
1261 1 10 . 1 1 50 50 MET N N 50 120.051 120.051 120.764 -0.713 25423
1262 1 10 . 1 1 50 50 MET HA H 50 4.354 4.354 4.719 -0.365 25423
1263 1 10 . 1 1 50 50 MET CA C 50 55.149 55.149 55.658 -0.509 25423
1264 1 10 . 1 1 50 50 MET CB C 50 32.514 32.514 33.621 -1.107 25423
1265 1 10 . 1 1 50 50 MET H H 50 7.944 7.944 8.316 -0.372 25423
1266 1 10 . 1 1 51 51 GLN N N 51 122.311 122.311 121.501 0.810 25423
1267 1 10 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.623 -0.109 25423
1268 1 10 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.277 -0.974 25423
1269 1 10 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.695 -0.913 25423
1270 1 10 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.108 0.199 25423
1271 1 10 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.239 0.242 25423
1272 1 10 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.450 -0.600 25423
1273 1 10 . 1 1 53 53 LEU N N 53 121.833 121.833 115.366 6.467 25423
1274 1 10 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.952 0.199 25423
1275 1 10 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.041 -1.109 25423
1276 1 10 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.156 0.818 25423
1277 1 10 . 1 1 54 54 CYS N N 54 115.819 115.819 111.908 3.911 25423
1278 1 10 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.642 -0.247 25423
1279 1 10 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.660 -1.478 25423
1280 1 10 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.633 1.236 25423
1281 1 10 . 1 1 54 54 CYS H H 54 7.719 7.719 7.098 0.621 25423
1282 1 10 . 1 1 55 55 PHE N N 55 119.044 119.044 117.386 1.658 25423
1283 1 10 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.287 0.211 25423
1284 1 10 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.438 -1.748 25423
1285 1 10 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.477 -2.496 25423
1286 1 10 . 1 1 55 55 PHE H H 55 8.790 8.790 8.825 -0.035 25423
1287 1 10 . 1 1 56 56 ASN N N 56 119.254 119.254 121.624 -2.370 25423
1288 1 10 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.139 0.196 25423
1289 1 10 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.860 -0.613 25423
1290 1 10 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.252 1.051 25423
1291 1 10 . 1 1 57 57 CYS N N 57 127.439 127.439 124.800 2.639 25423
1292 1 10 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.127 -0.222 25423
1293 1 10 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.667 0.749 25423
1294 1 10 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.882 1.905 25423
1295 1 10 . 1 1 57 57 CYS H H 57 9.404 9.404 8.617 0.787 25423
1296 1 10 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.458 0.116 25423
1297 1 10 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.008 -1.212 25423
1298 1 10 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.683 0.229 25423
1299 1 10 . 1 1 59 59 ILE N N 59 122.515 122.515 119.770 2.745 25423
1300 1 10 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.831 0.088 25423
1301 1 10 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.428 -1.344 25423
1302 1 10 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.866 0.683 25423
1303 1 10 . 1 1 60 60 CYS N N 60 119.620 119.620 114.165 5.455 25423
1304 1 10 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.755 0.368 25423
1305 1 10 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.130 -0.206 25423
1306 1 10 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.653 2.203 25423
1307 1 10 . 1 1 60 60 CYS H H 60 8.450 8.450 7.952 0.498 25423
1308 1 10 . 1 1 61 61 ASP N N 61 119.453 119.453 120.961 -1.508 25423
1309 1 10 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.437 0.237 25423
1310 1 10 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.601 0.297 25423
1311 1 10 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.231 1.218 25423
1312 1 10 . 1 1 61 61 ASP H H 61 8.069 8.069 8.573 -0.504 25423
1313 1 10 . 1 1 62 62 LYS N N 62 122.865 122.865 118.549 4.316 25423
1314 1 10 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.604 -0.603 25423
1315 1 10 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.682 2.462 25423
1316 1 10 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.401 -0.530 25423
1317 1 10 . 1 1 62 62 LYS H H 62 8.126 8.126 7.792 0.334 25423
1318 1 10 . 1 1 63 63 ILE N N 63 123.398 123.398 118.380 5.018 25423
1319 1 10 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.521 0.323 25423
1320 1 10 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.246 -0.391 25423
1321 1 10 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.956 -1.047 25423
1322 1 10 . 1 1 64 64 PHE N N 64 124.921 124.921 121.445 3.476 25423
1323 1 10 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.960 -0.095 25423
1324 1 10 . 1 1 64 64 PHE CA C 64 54.269 54.269 56.071 -1.802 25423
1325 1 10 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.894 -1.501 25423
1326 1 10 . 1 1 64 64 PHE H H 64 9.054 9.054 8.388 0.666 25423
1327 1 10 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.571 0.040 25423
1328 1 10 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.544 -0.494 25423
1329 1 10 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.419 0.206 25423
1330 1 10 . 1 1 66 66 ALA N N 66 121.923 121.923 124.224 -2.301 25423
1331 1 10 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.881 -0.102 25423
1332 1 10 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.208 -1.345 25423
1333 1 10 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.515 -0.371 25423
1334 1 10 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423
1335 1 10 . 1 1 67 67 THR N N 67 104.076 104.076 108.313 -4.237 25423
1336 1 10 . 1 1 67 67 THR HA H 67 4.232 4.232 4.255 -0.023 25423
1337 1 10 . 1 1 67 67 THR CA C 67 61.824 61.824 62.295 -0.471 25423
1338 1 10 . 1 1 67 67 THR CB C 67 68.103 68.103 67.823 0.280 25423
1339 1 10 . 1 1 68 68 GLU N N 68 122.788 122.788 121.769 1.019 25423
1340 1 10 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.716 0.207 25423
1341 1 10 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.044 -0.707 25423
1342 1 10 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.244 -0.957 25423
1343 1 10 . 1 1 68 68 GLU H H 68 7.879 7.879 8.430 -0.551 25423
1344 1 10 . 1 1 69 69 LYS N N 69 121.136 121.136 120.957 0.179 25423
1345 1 10 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.196 -0.762 25423
1346 1 10 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.456 0.954 25423
1347 1 10 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.270 0.030 25423
1348 1 10 . 1 1 69 69 LYS H H 69 7.627 7.627 8.088 -0.461 25423
1349 1 10 . 1 1 70 70 GLN N N 70 117.013 117.013 117.476 -0.463 25423
1350 1 10 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.163 -0.245 25423
1351 1 10 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.643 0.020 25423
1352 1 10 . 1 1 70 70 GLN CB C 70 27.753 27.753 27.633 0.120 25423
1353 1 10 . 1 1 71 71 ILE N N 71 119.588 119.588 120.548 -0.960 25423
1354 1 10 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.899 -0.144 25423
1355 1 10 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.853 -0.008 25423
1356 1 10 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.793 -0.156 25423
1357 1 10 . 1 1 72 72 PHE N N 72 122.393 122.393 121.358 1.035 25423
1358 1 10 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.287 -0.320 25423
1359 1 10 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.384 -0.948 25423
1360 1 10 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.948 -1.542 25423
1361 1 10 . 1 1 72 72 PHE H H 72 8.043 8.043 8.766 -0.723 25423
1362 1 10 . 1 1 73 73 GLU N N 73 119.350 119.350 118.523 0.827 25423
1363 1 10 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.765 -0.530 25423
1364 1 10 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.714 -0.338 25423
1365 1 10 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.279 -0.810 25423
1366 1 10 . 1 1 73 73 GLU H H 73 8.307 8.307 7.736 0.571 25423
1367 1 10 . 1 1 74 74 ASP N N 74 120.085 120.085 119.823 0.262 25423
1368 1 10 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.399 -0.031 25423
1369 1 10 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.706 0.182 25423
1370 1 10 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.991 -0.780 25423
1371 1 10 . 1 1 74 74 ASP H H 74 8.130 8.130 7.679 0.451 25423
1372 1 10 . 1 1 75 75 HIS N N 75 120.712 120.712 119.437 1.275 25423
1373 1 10 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.231 -0.243 25423
1374 1 10 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.770 -0.041 25423
1375 1 10 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.033 -2.753 25423
1376 1 10 . 1 1 75 75 HIS H H 75 8.037 8.037 8.084 -0.047 25423
1377 1 10 . 1 1 76 76 VAL N N 76 119.276 119.276 119.055 0.221 25423
1378 1 10 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.827 -0.389 25423
1379 1 10 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.628 0.415 25423
1380 1 10 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.468 0.180 25423
1381 1 10 . 1 1 77 77 PHE N N 77 120.883 120.883 118.650 2.233 25423
1382 1 10 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.059 0.125 25423
1383 1 10 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.593 -1.056 25423
1384 1 10 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.962 -0.346 25423
1385 1 10 . 1 1 77 77 PHE H H 77 7.950 7.950 7.775 0.175 25423
1386 1 10 . 1 1 78 78 CYS N N 78 116.956 116.956 117.650 -0.694 25423
1387 1 10 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.028 -0.098 25423
1388 1 10 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.465 -0.090 25423
1389 1 10 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.755 -0.660 25423
1390 1 10 . 1 1 78 78 CYS H H 78 8.017 8.017 7.773 0.244 25423
1391 1 10 . 1 1 79 79 HIS N N 79 117.041 117.041 118.283 -1.242 25423
1392 1 10 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.356 0.031 25423
1393 1 10 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.881 -0.971 25423
1394 1 10 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.183 -0.708 25423
1395 1 10 . 1 1 79 79 HIS H H 79 7.229 7.229 7.556 -0.327 25423
1396 1 10 . 1 1 80 80 SER N N 80 114.684 114.684 113.937 0.747 25423
1397 1 10 . 1 1 80 80 SER HA H 80 4.343 4.343 4.253 0.090 25423
1398 1 10 . 1 1 80 80 SER CA C 80 58.448 58.448 59.368 -0.920 25423
1399 1 10 . 1 1 80 80 SER CB C 80 63.471 63.471 63.431 0.041 25423
1400 1 10 . 1 1 80 80 SER H H 80 7.902 7.902 7.644 0.258 25423
1401 1 11 . 1 1 50 50 MET N N 50 120.051 120.051 119.165 0.886 25423
1402 1 11 . 1 1 50 50 MET HA H 50 4.354 4.354 4.407 -0.053 25423
1403 1 11 . 1 1 50 50 MET CA C 50 55.149 55.149 56.466 -1.317 25423
1404 1 11 . 1 1 50 50 MET CB C 50 32.514 32.514 33.409 -0.895 25423
1405 1 11 . 1 1 50 50 MET H H 50 7.944 7.944 8.031 -0.087 25423
1406 1 11 . 1 1 51 51 GLN N N 51 122.311 122.311 119.666 2.645 25423
1407 1 11 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.137 0.377 25423
1408 1 11 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.701 -2.398 25423
1409 1 11 . 1 1 51 51 GLN CB C 51 28.782 28.782 26.859 1.923 25423
1410 1 11 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.212 0.095 25423
1411 1 11 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.400 0.081 25423
1412 1 11 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.306 -0.456 25423
1413 1 11 . 1 1 53 53 LEU N N 53 121.833 121.833 118.315 3.518 25423
1414 1 11 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.937 0.214 25423
1415 1 11 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.397 -0.465 25423
1416 1 11 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.324 0.650 25423
1417 1 11 . 1 1 54 54 CYS N N 54 115.819 115.819 114.566 1.253 25423
1418 1 11 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.532 -0.137 25423
1419 1 11 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.422 -1.240 25423
1420 1 11 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.193 -1.324 25423
1421 1 11 . 1 1 54 54 CYS H H 54 7.719 7.719 7.187 0.532 25423
1422 1 11 . 1 1 55 55 PHE N N 55 119.044 119.044 119.993 -0.949 25423
1423 1 11 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.399 0.099 25423
1424 1 11 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.010 -1.320 25423
1425 1 11 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.344 -2.363 25423
1426 1 11 . 1 1 55 55 PHE H H 55 8.790 8.790 9.132 -0.342 25423
1427 1 11 . 1 1 56 56 ASN N N 56 119.254 119.254 122.295 -3.041 25423
1428 1 11 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.994 0.341 25423
1429 1 11 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.299 -1.052 25423
1430 1 11 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.486 0.817 25423
1431 1 11 . 1 1 57 57 CYS N N 57 127.439 127.439 124.443 2.996 25423
1432 1 11 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.223 -0.318 25423
1433 1 11 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.368 1.048 25423
1434 1 11 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.994 1.793 25423
1435 1 11 . 1 1 57 57 CYS H H 57 9.404 9.404 8.859 0.545 25423
1436 1 11 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.483 0.091 25423
1437 1 11 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.324 -0.528 25423
1438 1 11 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.726 0.186 25423
1439 1 11 . 1 1 59 59 ILE N N 59 122.515 122.515 119.331 3.184 25423
1440 1 11 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.986 -0.067 25423
1441 1 11 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.078 -0.994 25423
1442 1 11 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.166 0.383 25423
1443 1 11 . 1 1 60 60 CYS N N 60 119.620 119.620 114.505 5.115 25423
1444 1 11 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.787 0.336 25423
1445 1 11 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.627 -0.703 25423
1446 1 11 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.437 1.419 25423
1447 1 11 . 1 1 60 60 CYS H H 60 8.450 8.450 7.859 0.591 25423
1448 1 11 . 1 1 61 61 ASP N N 61 119.453 119.453 119.383 0.070 25423
1449 1 11 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.491 0.183 25423
1450 1 11 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.239 0.659 25423
1451 1 11 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.376 1.073 25423
1452 1 11 . 1 1 61 61 ASP H H 61 8.069 8.069 8.416 -0.347 25423
1453 1 11 . 1 1 62 62 LYS N N 62 122.865 122.865 119.755 3.110 25423
1454 1 11 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.075 -0.074 25423
1455 1 11 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.605 1.539 25423
1456 1 11 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.450 1.421 25423
1457 1 11 . 1 1 62 62 LYS H H 62 8.126 8.126 7.610 0.516 25423
1458 1 11 . 1 1 63 63 ILE N N 63 123.398 123.398 124.191 -0.793 25423
1459 1 11 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.778 0.066 25423
1460 1 11 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.250 0.605 25423
1461 1 11 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.597 -0.688 25423
1462 1 11 . 1 1 64 64 PHE N N 64 124.921 124.921 122.508 2.413 25423
1463 1 11 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.072 -0.207 25423
1464 1 11 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.985 -0.716 25423
1465 1 11 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.003 1.390 25423
1466 1 11 . 1 1 64 64 PHE H H 64 9.054 9.054 9.090 -0.036 25423
1467 1 11 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.500 0.111 25423
1468 1 11 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.329 -0.279 25423
1469 1 11 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.343 0.282 25423
1470 1 11 . 1 1 66 66 ALA N N 66 121.923 121.923 123.643 -1.720 25423
1471 1 11 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.920 -0.141 25423
1472 1 11 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.171 -1.309 25423
1473 1 11 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.579 -0.435 25423
1474 1 11 . 1 1 66 66 ALA H H 66 8.271 8.271 8.098 0.173 25423
1475 1 11 . 1 1 67 67 THR N N 67 104.076 104.076 109.141 -5.065 25423
1476 1 11 . 1 1 67 67 THR HA H 67 4.232 4.232 4.228 0.004 25423
1477 1 11 . 1 1 67 67 THR CA C 67 61.824 61.824 63.533 -1.709 25423
1478 1 11 . 1 1 67 67 THR CB C 67 68.103 68.103 68.120 -0.017 25423
1479 1 11 . 1 1 68 68 GLU N N 68 122.788 122.788 121.905 0.883 25423
1480 1 11 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.592 0.331 25423
1481 1 11 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.869 -1.532 25423
1482 1 11 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.575 -1.288 25423
1483 1 11 . 1 1 68 68 GLU H H 68 7.879 7.879 8.281 -0.402 25423
1484 1 11 . 1 1 69 69 LYS N N 69 121.136 121.136 119.618 1.518 25423
1485 1 11 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.910 -0.476 25423
1486 1 11 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.456 0.954 25423
1487 1 11 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.556 0.744 25423
1488 1 11 . 1 1 69 69 LYS H H 69 7.627 7.627 7.852 -0.225 25423
1489 1 11 . 1 1 70 70 GLN N N 70 117.013 117.013 118.795 -1.782 25423
1490 1 11 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.023 -0.105 25423
1491 1 11 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.066 -0.403 25423
1492 1 11 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.199 -0.446 25423
1493 1 11 . 1 1 71 71 ILE N N 71 119.588 119.588 118.596 0.992 25423
1494 1 11 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.742 0.013 25423
1495 1 11 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.357 -0.512 25423
1496 1 11 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.579 0.058 25423
1497 1 11 . 1 1 72 72 PHE N N 72 122.393 122.393 121.433 0.960 25423
1498 1 11 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.409 -0.442 25423
1499 1 11 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.030 -0.594 25423
1500 1 11 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.551 -1.145 25423
1501 1 11 . 1 1 72 72 PHE H H 72 8.043 8.043 8.338 -0.295 25423
1502 1 11 . 1 1 73 73 GLU N N 73 119.350 119.350 118.379 0.971 25423
1503 1 11 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.676 -0.441 25423
1504 1 11 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.607 -0.231 25423
1505 1 11 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.143 -0.674 25423
1506 1 11 . 1 1 73 73 GLU H H 73 8.307 8.307 7.691 0.616 25423
1507 1 11 . 1 1 74 74 ASP N N 74 120.085 120.085 119.875 0.210 25423
1508 1 11 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.445 -0.077 25423
1509 1 11 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.071 -0.182 25423
1510 1 11 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.829 -0.618 25423
1511 1 11 . 1 1 74 74 ASP H H 74 8.130 8.130 7.728 0.402 25423
1512 1 11 . 1 1 75 75 HIS N N 75 120.712 120.712 120.455 0.257 25423
1513 1 11 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.306 -0.318 25423
1514 1 11 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.817 -0.088 25423
1515 1 11 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.268 -2.988 25423
1516 1 11 . 1 1 75 75 HIS H H 75 8.037 8.037 8.236 -0.199 25423
1517 1 11 . 1 1 76 76 VAL N N 76 119.276 119.276 119.290 -0.014 25423
1518 1 11 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.946 -0.508 25423
1519 1 11 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.635 0.409 25423
1520 1 11 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.626 0.022 25423
1521 1 11 . 1 1 77 77 PHE N N 77 120.883 120.883 119.584 1.299 25423
1522 1 11 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.131 0.053 25423
1523 1 11 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.494 -0.956 25423
1524 1 11 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.967 -0.351 25423
1525 1 11 . 1 1 77 77 PHE H H 77 7.950 7.950 7.950 0.000 25423
1526 1 11 . 1 1 78 78 CYS N N 78 116.956 116.956 117.181 -0.225 25423
1527 1 11 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.895 0.035 25423
1528 1 11 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.523 -1.148 25423
1529 1 11 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.136 -1.041 25423
1530 1 11 . 1 1 78 78 CYS H H 78 8.017 8.017 7.661 0.356 25423
1531 1 11 . 1 1 79 79 HIS N N 79 117.041 117.041 118.316 -1.275 25423
1532 1 11 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.339 0.048 25423
1533 1 11 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.764 -0.855 25423
1534 1 11 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.308 -0.833 25423
1535 1 11 . 1 1 79 79 HIS H H 79 7.229 7.229 7.603 -0.374 25423
1536 1 11 . 1 1 80 80 SER N N 80 114.684 114.684 113.950 0.734 25423
1537 1 11 . 1 1 80 80 SER HA H 80 4.343 4.343 4.297 0.046 25423
1538 1 11 . 1 1 80 80 SER CA C 80 58.448 58.448 59.542 -1.094 25423
1539 1 11 . 1 1 80 80 SER CB C 80 63.471 63.471 63.410 0.062 25423
1540 1 11 . 1 1 80 80 SER H H 80 7.902 7.902 7.624 0.278 25423
1541 1 12 . 1 1 50 50 MET N N 50 120.051 120.051 118.258 1.793 25423
1542 1 12 . 1 1 50 50 MET HA H 50 4.354 4.354 4.451 -0.097 25423
1543 1 12 . 1 1 50 50 MET CA C 50 55.149 55.149 56.013 -0.864 25423
1544 1 12 . 1 1 50 50 MET CB C 50 32.514 32.514 33.966 -1.452 25423
1545 1 12 . 1 1 50 50 MET H H 50 7.944 7.944 8.080 -0.136 25423
1546 1 12 . 1 1 51 51 GLN N N 51 122.311 122.311 120.088 2.223 25423
1547 1 12 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.111 0.403 25423
1548 1 12 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.599 -3.296 25423
1549 1 12 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.235 0.547 25423
1550 1 12 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.301 0.006 25423
1551 1 12 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.576 -1.095 25423
1552 1 12 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.969 -0.119 25423
1553 1 12 . 1 1 53 53 LEU N N 53 121.833 121.833 115.713 6.120 25423
1554 1 12 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.961 0.190 25423
1555 1 12 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.071 -1.139 25423
1556 1 12 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.095 0.879 25423
1557 1 12 . 1 1 54 54 CYS N N 54 115.819 115.819 111.216 4.603 25423
1558 1 12 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.659 -0.264 25423
1559 1 12 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.540 -1.358 25423
1560 1 12 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.848 1.021 25423
1561 1 12 . 1 1 54 54 CYS H H 54 7.719 7.719 7.231 0.488 25423
1562 1 12 . 1 1 55 55 PHE N N 55 119.044 119.044 117.598 1.446 25423
1563 1 12 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.468 0.030 25423
1564 1 12 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.654 -0.964 25423
1565 1 12 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.721 -2.740 25423
1566 1 12 . 1 1 55 55 PHE H H 55 8.790 8.790 8.954 -0.164 25423
1567 1 12 . 1 1 56 56 ASN N N 56 119.254 119.254 120.538 -1.284 25423
1568 1 12 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.115 0.220 25423
1569 1 12 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.324 -1.077 25423
1570 1 12 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.424 -0.121 25423
1571 1 12 . 1 1 57 57 CYS N N 57 127.439 127.439 126.311 1.128 25423
1572 1 12 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.194 -0.289 25423
1573 1 12 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.457 0.959 25423
1574 1 12 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.367 1.420 25423
1575 1 12 . 1 1 57 57 CYS H H 57 9.404 9.404 9.270 0.134 25423
1576 1 12 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.571 0.003 25423
1577 1 12 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.083 -0.287 25423
1578 1 12 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.358 0.554 25423
1579 1 12 . 1 1 59 59 ILE N N 59 122.515 122.515 118.934 3.581 25423
1580 1 12 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.132 -0.213 25423
1581 1 12 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.364 -0.279 25423
1582 1 12 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.586 -0.037 25423
1583 1 12 . 1 1 60 60 CYS N N 60 119.620 119.620 115.483 4.137 25423
1584 1 12 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.914 0.209 25423
1585 1 12 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.932 -0.008 25423
1586 1 12 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.134 1.722 25423
1587 1 12 . 1 1 60 60 CYS H H 60 8.450 8.450 7.820 0.630 25423
1588 1 12 . 1 1 61 61 ASP N N 61 119.453 119.453 117.990 1.463 25423
1589 1 12 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.683 -0.009 25423
1590 1 12 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.336 0.562 25423
1591 1 12 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.912 1.537 25423
1592 1 12 . 1 1 61 61 ASP H H 61 8.069 8.069 8.374 -0.305 25423
1593 1 12 . 1 1 62 62 LYS N N 62 122.865 122.865 119.891 2.974 25423
1594 1 12 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.230 -0.229 25423
1595 1 12 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.102 1.042 25423
1596 1 12 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.178 0.693 25423
1597 1 12 . 1 1 62 62 LYS H H 62 8.126 8.126 7.762 0.364 25423
1598 1 12 . 1 1 63 63 ILE N N 63 123.398 123.398 123.300 0.098 25423
1599 1 12 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.054 -0.210 25423
1600 1 12 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.359 -0.504 25423
1601 1 12 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.154 -0.245 25423
1602 1 12 . 1 1 64 64 PHE N N 64 124.921 124.921 121.979 2.942 25423
1603 1 12 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.998 -0.133 25423
1604 1 12 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.509 -1.240 25423
1605 1 12 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.578 -1.185 25423
1606 1 12 . 1 1 64 64 PHE H H 64 9.054 9.054 8.904 0.150 25423
1607 1 12 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.565 0.046 25423
1608 1 12 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.456 -0.406 25423
1609 1 12 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.265 0.360 25423
1610 1 12 . 1 1 66 66 ALA N N 66 121.923 121.923 125.315 -3.392 25423
1611 1 12 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.049 -0.270 25423
1612 1 12 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.066 -1.204 25423
1613 1 12 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.791 -0.647 25423
1614 1 12 . 1 1 66 66 ALA H H 66 8.271 8.271 8.019 0.252 25423
1615 1 12 . 1 1 67 67 THR N N 67 104.076 104.076 108.994 -4.918 25423
1616 1 12 . 1 1 67 67 THR HA H 67 4.232 4.232 4.146 0.086 25423
1617 1 12 . 1 1 67 67 THR CA C 67 61.824 61.824 64.240 -2.416 25423
1618 1 12 . 1 1 67 67 THR CB C 67 68.103 68.103 68.703 -0.600 25423
1619 1 12 . 1 1 68 68 GLU N N 68 122.788 122.788 120.785 2.003 25423
1620 1 12 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.638 0.285 25423
1621 1 12 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.175 -0.838 25423
1622 1 12 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.825 -0.537 25423
1623 1 12 . 1 1 68 68 GLU H H 68 7.879 7.879 7.869 0.010 25423
1624 1 12 . 1 1 69 69 LYS N N 69 121.136 121.136 120.854 0.282 25423
1625 1 12 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.114 -0.680 25423
1626 1 12 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.916 0.494 25423
1627 1 12 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.523 -0.223 25423
1628 1 12 . 1 1 69 69 LYS H H 69 7.627 7.627 7.766 -0.139 25423
1629 1 12 . 1 1 70 70 GLN N N 70 117.013 117.013 116.530 0.483 25423
1630 1 12 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.105 -0.187 25423
1631 1 12 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.523 0.140 25423
1632 1 12 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.118 -0.365 25423
1633 1 12 . 1 1 71 71 ILE N N 71 119.588 119.588 121.138 -1.550 25423
1634 1 12 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.723 0.032 25423
1635 1 12 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.140 -0.295 25423
1636 1 12 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.691 -0.054 25423
1637 1 12 . 1 1 72 72 PHE N N 72 122.393 122.393 121.579 0.814 25423
1638 1 12 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.243 -0.276 25423
1639 1 12 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.337 -0.901 25423
1640 1 12 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.683 -1.277 25423
1641 1 12 . 1 1 72 72 PHE H H 72 8.043 8.043 7.922 0.121 25423
1642 1 12 . 1 1 73 73 GLU N N 73 119.350 119.350 119.005 0.345 25423
1643 1 12 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.674 -0.439 25423
1644 1 12 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.485 -0.109 25423
1645 1 12 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.043 -0.574 25423
1646 1 12 . 1 1 73 73 GLU H H 73 8.307 8.307 7.675 0.632 25423
1647 1 12 . 1 1 74 74 ASP N N 74 120.085 120.085 119.700 0.385 25423
1648 1 12 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.345 0.023 25423
1649 1 12 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.415 -0.526 25423
1650 1 12 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.080 -0.869 25423
1651 1 12 . 1 1 74 74 ASP H H 74 8.130 8.130 7.649 0.481 25423
1652 1 12 . 1 1 75 75 HIS N N 75 120.712 120.712 119.842 0.870 25423
1653 1 12 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.233 -0.245 25423
1654 1 12 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.662 0.067 25423
1655 1 12 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.995 -2.715 25423
1656 1 12 . 1 1 75 75 HIS H H 75 8.037 8.037 7.998 0.039 25423
1657 1 12 . 1 1 76 76 VAL N N 76 119.276 119.276 118.828 0.448 25423
1658 1 12 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.853 -0.415 25423
1659 1 12 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.530 0.513 25423
1660 1 12 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.297 0.352 25423
1661 1 12 . 1 1 77 77 PHE N N 77 120.883 120.883 119.422 1.461 25423
1662 1 12 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423
1663 1 12 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.462 -0.924 25423
1664 1 12 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.472 0.144 25423
1665 1 12 . 1 1 77 77 PHE H H 77 7.950 7.950 7.947 0.003 25423
1666 1 12 . 1 1 78 78 CYS N N 78 116.956 116.956 117.206 -0.250 25423
1667 1 12 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.972 -0.042 25423
1668 1 12 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.161 -0.786 25423
1669 1 12 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.625 -1.530 25423
1670 1 12 . 1 1 78 78 CYS H H 78 8.017 8.017 7.731 0.286 25423
1671 1 12 . 1 1 79 79 HIS N N 79 117.041 117.041 118.562 -1.521 25423
1672 1 12 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.321 0.066 25423
1673 1 12 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.688 -0.778 25423
1674 1 12 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.257 -0.782 25423
1675 1 12 . 1 1 79 79 HIS H H 79 7.229 7.229 7.543 -0.314 25423
1676 1 12 . 1 1 80 80 SER N N 80 114.684 114.684 113.917 0.767 25423
1677 1 12 . 1 1 80 80 SER HA H 80 4.343 4.343 4.288 0.055 25423
1678 1 12 . 1 1 80 80 SER CA C 80 58.448 58.448 59.694 -1.246 25423
1679 1 12 . 1 1 80 80 SER CB C 80 63.471 63.471 63.450 0.021 25423
1680 1 12 . 1 1 80 80 SER H H 80 7.902 7.902 7.647 0.255 25423
1681 1 13 . 1 1 50 50 MET N N 50 120.051 120.051 120.024 0.027 25423
1682 1 13 . 1 1 50 50 MET HA H 50 4.354 4.354 4.262 0.092 25423
1683 1 13 . 1 1 50 50 MET CA C 50 55.149 55.149 56.192 -1.043 25423
1684 1 13 . 1 1 50 50 MET CB C 50 32.514 32.514 32.159 0.355 25423
1685 1 13 . 1 1 50 50 MET H H 50 7.944 7.944 8.235 -0.291 25423
1686 1 13 . 1 1 51 51 GLN N N 51 122.311 122.311 125.633 -3.322 25423
1687 1 13 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.685 -0.171 25423
1688 1 13 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.857 -0.554 25423
1689 1 13 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.279 -1.497 25423
1690 1 13 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.451 -0.144 25423
1691 1 13 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.320 -0.839 25423
1692 1 13 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.945 0.905 25423
1693 1 13 . 1 1 53 53 LEU N N 53 121.833 121.833 123.337 -1.504 25423
1694 1 13 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.418 -0.267 25423
1695 1 13 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.592 0.340 25423
1696 1 13 . 1 1 53 53 LEU CB C 53 41.974 41.974 43.070 -1.096 25423
1697 1 13 . 1 1 54 54 CYS N N 54 115.819 115.819 113.742 2.077 25423
1698 1 13 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.357 0.038 25423
1699 1 13 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.673 -1.491 25423
1700 1 13 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.200 -0.331 25423
1701 1 13 . 1 1 54 54 CYS H H 54 7.719 7.719 7.463 0.256 25423
1702 1 13 . 1 1 55 55 PHE N N 55 119.044 119.044 121.593 -2.549 25423
1703 1 13 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.473 0.025 25423
1704 1 13 . 1 1 55 55 PHE CA C 55 55.690 55.690 55.915 -0.225 25423
1705 1 13 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.597 -0.617 25423
1706 1 13 . 1 1 55 55 PHE H H 55 8.790 8.790 8.288 0.502 25423
1707 1 13 . 1 1 56 56 ASN N N 56 119.254 119.254 118.810 0.444 25423
1708 1 13 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.958 0.377 25423
1709 1 13 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.199 0.048 25423
1710 1 13 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.397 0.907 25423
1711 1 13 . 1 1 57 57 CYS N N 57 127.439 127.439 123.331 4.108 25423
1712 1 13 . 1 1 57 57 CYS HA H 57 4.905 4.905 4.986 -0.081 25423
1713 1 13 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.478 0.938 25423
1714 1 13 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.665 2.122 25423
1715 1 13 . 1 1 57 57 CYS H H 57 9.404 9.404 8.938 0.466 25423
1716 1 13 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.403 0.171 25423
1717 1 13 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.673 -0.877 25423
1718 1 13 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.725 0.187 25423
1719 1 13 . 1 1 59 59 ILE N N 59 122.515 122.515 119.800 2.715 25423
1720 1 13 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.827 0.092 25423
1721 1 13 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.484 -1.400 25423
1722 1 13 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.834 0.716 25423
1723 1 13 . 1 1 60 60 CYS N N 60 119.620 119.620 113.235 6.385 25423
1724 1 13 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.810 0.313 25423
1725 1 13 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.049 -0.125 25423
1726 1 13 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.360 1.496 25423
1727 1 13 . 1 1 60 60 CYS H H 60 8.450 8.450 7.706 0.744 25423
1728 1 13 . 1 1 61 61 ASP N N 61 119.453 119.453 119.797 -0.344 25423
1729 1 13 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.435 0.239 25423
1730 1 13 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.221 0.677 25423
1731 1 13 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.458 1.991 25423
1732 1 13 . 1 1 61 61 ASP H H 61 8.069 8.069 8.708 -0.639 25423
1733 1 13 . 1 1 62 62 LYS N N 62 122.865 122.865 120.111 2.754 25423
1734 1 13 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.340 -0.339 25423
1735 1 13 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.511 2.633 25423
1736 1 13 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.837 1.034 25423
1737 1 13 . 1 1 62 62 LYS H H 62 8.126 8.126 7.572 0.554 25423
1738 1 13 . 1 1 63 63 ILE N N 63 123.398 123.398 126.265 -2.867 25423
1739 1 13 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.589 0.255 25423
1740 1 13 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.860 -0.005 25423
1741 1 13 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.587 0.322 25423
1742 1 13 . 1 1 64 64 PHE N N 64 124.921 124.921 122.457 2.464 25423
1743 1 13 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.025 -0.160 25423
1744 1 13 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.072 -0.803 25423
1745 1 13 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.533 0.860 25423
1746 1 13 . 1 1 64 64 PHE H H 64 9.054 9.054 8.840 0.214 25423
1747 1 13 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.527 0.084 25423
1748 1 13 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.318 -0.268 25423
1749 1 13 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.157 0.468 25423
1750 1 13 . 1 1 66 66 ALA N N 66 121.923 121.923 124.087 -2.164 25423
1751 1 13 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.435 0.344 25423
1752 1 13 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.780 -0.918 25423
1753 1 13 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.559 -0.416 25423
1754 1 13 . 1 1 66 66 ALA H H 66 8.271 8.271 8.589 -0.318 25423
1755 1 13 . 1 1 67 67 THR N N 67 104.076 104.076 110.022 -5.946 25423
1756 1 13 . 1 1 67 67 THR HA H 67 4.232 4.232 4.129 0.103 25423
1757 1 13 . 1 1 67 67 THR CA C 67 61.824 61.824 64.796 -2.973 25423
1758 1 13 . 1 1 67 67 THR CB C 67 68.103 68.103 68.739 -0.636 25423
1759 1 13 . 1 1 68 68 GLU N N 68 122.788 122.788 121.308 1.480 25423
1760 1 13 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.581 0.342 25423
1761 1 13 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.529 -1.192 25423
1762 1 13 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.374 -1.087 25423
1763 1 13 . 1 1 68 68 GLU H H 68 7.879 7.879 8.116 -0.237 25423
1764 1 13 . 1 1 69 69 LYS N N 69 121.136 121.136 119.403 1.733 25423
1765 1 13 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.290 -0.856 25423
1766 1 13 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.838 0.572 25423
1767 1 13 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.820 0.479 25423
1768 1 13 . 1 1 69 69 LYS H H 69 7.627 7.627 7.679 -0.052 25423
1769 1 13 . 1 1 70 70 GLN N N 70 117.013 117.013 118.983 -1.970 25423
1770 1 13 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.179 -0.261 25423
1771 1 13 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.673 -0.010 25423
1772 1 13 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.448 -0.695 25423
1773 1 13 . 1 1 71 71 ILE N N 71 119.588 119.588 119.537 0.051 25423
1774 1 13 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.728 0.027 25423
1775 1 13 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.040 1.805 25423
1776 1 13 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.638 0.999 25423
1777 1 13 . 1 1 72 72 PHE N N 72 122.393 122.393 121.918 0.475 25423
1778 1 13 . 1 1 72 72 PHE HA H 72 2.967 2.967 4.205 -1.238 25423
1779 1 13 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.683 -2.247 25423
1780 1 13 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.550 -2.144 25423
1781 1 13 . 1 1 72 72 PHE H H 72 8.043 8.043 8.172 -0.129 25423
1782 1 13 . 1 1 73 73 GLU N N 73 119.350 119.350 118.903 0.447 25423
1783 1 13 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.957 -0.722 25423
1784 1 13 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.702 -0.326 25423
1785 1 13 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.276 -0.807 25423
1786 1 13 . 1 1 73 73 GLU H H 73 8.307 8.307 8.014 0.293 25423
1787 1 13 . 1 1 74 74 ASP N N 74 120.085 120.085 119.795 0.290 25423
1788 1 13 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.424 -0.056 25423
1789 1 13 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.118 -0.229 25423
1790 1 13 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.211 -1.000 25423
1791 1 13 . 1 1 74 74 ASP H H 74 8.130 8.130 7.842 0.288 25423
1792 1 13 . 1 1 75 75 HIS N N 75 120.712 120.712 119.995 0.717 25423
1793 1 13 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.239 -0.251 25423
1794 1 13 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.349 0.380 25423
1795 1 13 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.140 -2.860 25423
1796 1 13 . 1 1 75 75 HIS H H 75 8.037 8.037 8.297 -0.260 25423
1797 1 13 . 1 1 76 76 VAL N N 76 119.276 119.276 118.624 0.652 25423
1798 1 13 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.965 -0.527 25423
1799 1 13 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.330 1.713 25423
1800 1 13 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.579 1.069 25423
1801 1 13 . 1 1 77 77 PHE N N 77 120.883 120.883 120.297 0.586 25423
1802 1 13 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.165 0.019 25423
1803 1 13 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.643 -1.105 25423
1804 1 13 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.949 -0.333 25423
1805 1 13 . 1 1 77 77 PHE H H 77 7.950 7.950 7.987 -0.037 25423
1806 1 13 . 1 1 78 78 CYS N N 78 116.956 116.956 116.941 0.015 25423
1807 1 13 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.983 -0.053 25423
1808 1 13 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.310 -0.935 25423
1809 1 13 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.266 -1.171 25423
1810 1 13 . 1 1 78 78 CYS H H 78 8.017 8.017 7.637 0.380 25423
1811 1 13 . 1 1 79 79 HIS N N 79 117.041 117.041 118.625 -1.584 25423
1812 1 13 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.347 0.040 25423
1813 1 13 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.750 -0.840 25423
1814 1 13 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.127 -0.652 25423
1815 1 13 . 1 1 79 79 HIS H H 79 7.229 7.229 7.620 -0.391 25423
1816 1 13 . 1 1 80 80 SER N N 80 114.684 114.684 114.009 0.675 25423
1817 1 13 . 1 1 80 80 SER HA H 80 4.343 4.343 4.254 0.089 25423
1818 1 13 . 1 1 80 80 SER CA C 80 58.448 58.448 59.693 -1.245 25423
1819 1 13 . 1 1 80 80 SER CB C 80 63.471 63.471 63.460 0.011 25423
1820 1 13 . 1 1 80 80 SER H H 80 7.902 7.902 7.638 0.264 25423
1821 1 14 . 1 1 50 50 MET N N 50 120.051 120.051 119.175 0.876 25423
1822 1 14 . 1 1 50 50 MET HA H 50 4.354 4.354 4.498 -0.144 25423
1823 1 14 . 1 1 50 50 MET CA C 50 55.149 55.149 55.884 -0.735 25423
1824 1 14 . 1 1 50 50 MET CB C 50 32.514 32.514 33.962 -1.448 25423
1825 1 14 . 1 1 50 50 MET H H 50 7.944 7.944 8.464 -0.520 25423
1826 1 14 . 1 1 51 51 GLN N N 51 122.311 122.311 123.159 -0.848 25423
1827 1 14 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.259 0.255 25423
1828 1 14 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.359 -2.056 25423
1829 1 14 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.355 0.426 25423
1830 1 14 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.211 0.096 25423
1831 1 14 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.573 -0.092 25423
1832 1 14 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.314 -0.464 25423
1833 1 14 . 1 1 53 53 LEU N N 53 121.833 121.833 118.564 3.269 25423
1834 1 14 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.922 0.229 25423
1835 1 14 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.503 -0.571 25423
1836 1 14 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.803 1.171 25423
1837 1 14 . 1 1 54 54 CYS N N 54 115.819 115.819 114.852 0.967 25423
1838 1 14 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.508 -0.113 25423
1839 1 14 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.725 -1.543 25423
1840 1 14 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.209 -1.340 25423
1841 1 14 . 1 1 54 54 CYS H H 54 7.719 7.719 7.337 0.382 25423
1842 1 14 . 1 1 55 55 PHE N N 55 119.044 119.044 118.377 0.667 25423
1843 1 14 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.418 0.080 25423
1844 1 14 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.990 -1.300 25423
1845 1 14 . 1 1 55 55 PHE CB C 55 39.981 39.981 43.084 -3.103 25423
1846 1 14 . 1 1 55 55 PHE H H 55 8.790 8.790 9.135 -0.345 25423
1847 1 14 . 1 1 56 56 ASN N N 56 119.254 119.254 119.984 -0.730 25423
1848 1 14 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.236 0.099 25423
1849 1 14 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.162 -0.915 25423
1850 1 14 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.977 0.326 25423
1851 1 14 . 1 1 57 57 CYS N N 57 127.439 127.439 125.234 2.205 25423
1852 1 14 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.297 -0.392 25423
1853 1 14 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.717 0.699 25423
1854 1 14 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.049 1.738 25423
1855 1 14 . 1 1 57 57 CYS H H 57 9.404 9.404 8.505 0.899 25423
1856 1 14 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.416 0.158 25423
1857 1 14 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.737 -0.941 25423
1858 1 14 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.801 0.111 25423
1859 1 14 . 1 1 59 59 ILE N N 59 122.515 122.515 118.952 3.563 25423
1860 1 14 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.877 0.042 25423
1861 1 14 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.386 -1.302 25423
1862 1 14 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.912 0.637 25423
1863 1 14 . 1 1 60 60 CYS N N 60 119.620 119.620 113.014 6.606 25423
1864 1 14 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.810 0.313 25423
1865 1 14 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.024 -0.100 25423
1866 1 14 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.057 1.799 25423
1867 1 14 . 1 1 60 60 CYS H H 60 8.450 8.450 7.762 0.688 25423
1868 1 14 . 1 1 61 61 ASP N N 61 119.453 119.453 118.884 0.569 25423
1869 1 14 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.414 0.260 25423
1870 1 14 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.463 0.435 25423
1871 1 14 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.373 2.076 25423
1872 1 14 . 1 1 61 61 ASP H H 61 8.069 8.069 8.719 -0.650 25423
1873 1 14 . 1 1 62 62 LYS N N 62 122.865 122.865 119.375 3.490 25423
1874 1 14 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.102 -0.101 25423
1875 1 14 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.080 1.064 25423
1876 1 14 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.343 0.528 25423
1877 1 14 . 1 1 62 62 LYS H H 62 8.126 8.126 7.939 0.187 25423
1878 1 14 . 1 1 63 63 ILE N N 63 123.398 123.398 118.570 4.828 25423
1879 1 14 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.622 0.222 25423
1880 1 14 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.586 0.269 25423
1881 1 14 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.023 -1.114 25423
1882 1 14 . 1 1 64 64 PHE N N 64 124.921 124.921 122.861 2.060 25423
1883 1 14 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.131 -0.266 25423
1884 1 14 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.005 -0.736 25423
1885 1 14 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.278 1.115 25423
1886 1 14 . 1 1 64 64 PHE H H 64 9.054 9.054 8.816 0.238 25423
1887 1 14 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.529 0.082 25423
1888 1 14 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.416 -0.366 25423
1889 1 14 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.461 0.164 25423
1890 1 14 . 1 1 66 66 ALA N N 66 121.923 121.923 123.058 -1.135 25423
1891 1 14 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.865 -0.086 25423
1892 1 14 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.195 -1.333 25423
1893 1 14 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.603 -0.459 25423
1894 1 14 . 1 1 66 66 ALA H H 66 8.271 8.271 8.153 0.118 25423
1895 1 14 . 1 1 67 67 THR N N 67 104.076 104.076 108.733 -4.657 25423
1896 1 14 . 1 1 67 67 THR HA H 67 4.232 4.232 4.273 -0.041 25423
1897 1 14 . 1 1 67 67 THR CA C 67 61.824 61.824 63.431 -1.607 25423
1898 1 14 . 1 1 67 67 THR CB C 67 68.103 68.103 68.464 -0.361 25423
1899 1 14 . 1 1 68 68 GLU N N 68 122.788 122.788 121.790 0.998 25423
1900 1 14 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.619 0.304 25423
1901 1 14 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.031 -0.694 25423
1902 1 14 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.936 -0.649 25423
1903 1 14 . 1 1 68 68 GLU H H 68 7.879 7.879 8.199 -0.320 25423
1904 1 14 . 1 1 69 69 LYS N N 69 121.136 121.136 119.752 1.384 25423
1905 1 14 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.196 0.238 25423
1906 1 14 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.898 0.512 25423
1907 1 14 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.609 0.691 25423
1908 1 14 . 1 1 69 69 LYS H H 69 7.627 7.627 7.669 -0.042 25423
1909 1 14 . 1 1 70 70 GLN N N 70 117.013 117.013 118.065 -1.052 25423
1910 1 14 . 1 1 70 70 GLN HA H 70 3.918 3.918 3.952 -0.034 25423
1911 1 14 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.000 -0.337 25423
1912 1 14 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.250 -0.497 25423
1913 1 14 . 1 1 71 71 ILE N N 71 119.588 119.588 118.916 0.672 25423
1914 1 14 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.812 -0.057 25423
1915 1 14 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.172 1.673 25423
1916 1 14 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.456 1.181 25423
1917 1 14 . 1 1 72 72 PHE N N 72 122.393 122.393 121.727 0.666 25423
1918 1 14 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.180 -0.213 25423
1919 1 14 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.093 -0.657 25423
1920 1 14 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.131 -0.725 25423
1921 1 14 . 1 1 72 72 PHE H H 72 8.043 8.043 8.391 -0.348 25423
1922 1 14 . 1 1 73 73 GLU N N 73 119.350 119.350 118.276 1.074 25423
1923 1 14 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.641 -0.406 25423
1924 1 14 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.599 -0.223 25423
1925 1 14 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.092 -0.623 25423
1926 1 14 . 1 1 73 73 GLU H H 73 8.307 8.307 7.631 0.676 25423
1927 1 14 . 1 1 74 74 ASP N N 74 120.085 120.085 119.934 0.151 25423
1928 1 14 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.433 -0.065 25423
1929 1 14 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.300 -0.411 25423
1930 1 14 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.649 -0.438 25423
1931 1 14 . 1 1 74 74 ASP H H 74 8.130 8.130 7.763 0.367 25423
1932 1 14 . 1 1 75 75 HIS N N 75 120.712 120.712 120.218 0.494 25423
1933 1 14 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.314 -0.326 25423
1934 1 14 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.756 -0.027 25423
1935 1 14 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.290 -3.010 25423
1936 1 14 . 1 1 75 75 HIS H H 75 8.037 8.037 8.231 -0.194 25423
1937 1 14 . 1 1 76 76 VAL N N 76 119.276 119.276 118.897 0.379 25423
1938 1 14 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.952 -0.514 25423
1939 1 14 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.634 0.409 25423
1940 1 14 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.413 0.235 25423
1941 1 14 . 1 1 77 77 PHE N N 77 120.883 120.883 120.102 0.781 25423
1942 1 14 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.236 -0.052 25423
1943 1 14 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.140 -0.602 25423
1944 1 14 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.889 -0.273 25423
1945 1 14 . 1 1 77 77 PHE H H 77 7.950 7.950 8.044 -0.094 25423
1946 1 14 . 1 1 78 78 CYS N N 78 116.956 116.956 117.319 -0.363 25423
1947 1 14 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.947 -0.017 25423
1948 1 14 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.263 -0.888 25423
1949 1 14 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.802 -0.707 25423
1950 1 14 . 1 1 78 78 CYS H H 78 8.017 8.017 7.689 0.328 25423
1951 1 14 . 1 1 79 79 HIS N N 79 117.041 117.041 118.200 -1.159 25423
1952 1 14 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.352 0.035 25423
1953 1 14 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.597 -0.687 25423
1954 1 14 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.421 -0.946 25423
1955 1 14 . 1 1 79 79 HIS H H 79 7.229 7.229 7.755 -0.526 25423
1956 1 14 . 1 1 80 80 SER N N 80 114.684 114.684 113.876 0.808 25423
1957 1 14 . 1 1 80 80 SER HA H 80 4.343 4.343 4.273 0.070 25423
1958 1 14 . 1 1 80 80 SER CA C 80 58.448 58.448 59.784 -1.336 25423
1959 1 14 . 1 1 80 80 SER CB C 80 63.471 63.471 63.438 0.033 25423
1960 1 14 . 1 1 80 80 SER H H 80 7.902 7.902 7.713 0.189 25423
1961 1 15 . 1 1 50 50 MET N N 50 120.051 120.051 120.579 -0.528 25423
1962 1 15 . 1 1 50 50 MET HA H 50 4.354 4.354 4.254 0.100 25423
1963 1 15 . 1 1 50 50 MET CA C 50 55.149 55.149 55.605 -0.456 25423
1964 1 15 . 1 1 50 50 MET CB C 50 32.514 32.514 32.801 -0.287 25423
1965 1 15 . 1 1 50 50 MET H H 50 7.944 7.944 8.017 -0.073 25423
1966 1 15 . 1 1 51 51 GLN N N 51 122.311 122.311 121.216 1.095 25423
1967 1 15 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.508 0.006 25423
1968 1 15 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.548 -3.245 25423
1969 1 15 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.239 -0.457 25423
1970 1 15 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.165 0.142 25423
1971 1 15 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.878 -0.397 25423
1972 1 15 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.092 -0.242 25423
1973 1 15 . 1 1 53 53 LEU N N 53 121.833 121.833 115.833 6.000 25423
1974 1 15 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.030 0.121 25423
1975 1 15 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.014 -1.082 25423
1976 1 15 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.856 1.118 25423
1977 1 15 . 1 1 54 54 CYS N N 54 115.819 115.819 112.667 3.152 25423
1978 1 15 . 1 1 54 54 CYS HA H 54 4.395 4.395 5.001 -0.606 25423
1979 1 15 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.013 -0.831 25423
1980 1 15 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.386 0.483 25423
1981 1 15 . 1 1 54 54 CYS H H 54 7.719 7.719 7.070 0.649 25423
1982 1 15 . 1 1 55 55 PHE N N 55 119.044 119.044 115.886 3.158 25423
1983 1 15 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423
1984 1 15 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.316 -1.625 25423
1985 1 15 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.508 -2.527 25423
1986 1 15 . 1 1 55 55 PHE H H 55 8.790 8.790 8.925 -0.135 25423
1987 1 15 . 1 1 56 56 ASN N N 56 119.254 119.254 119.011 0.243 25423
1988 1 15 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.216 0.119 25423
1989 1 15 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.353 -1.106 25423
1990 1 15 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.943 0.360 25423
1991 1 15 . 1 1 57 57 CYS N N 57 127.439 127.439 125.625 1.814 25423
1992 1 15 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.088 -0.183 25423
1993 1 15 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.600 0.816 25423
1994 1 15 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.841 1.946 25423
1995 1 15 . 1 1 57 57 CYS H H 57 9.404 9.404 9.368 0.036 25423
1996 1 15 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.414 0.160 25423
1997 1 15 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.723 -0.927 25423
1998 1 15 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.653 0.259 25423
1999 1 15 . 1 1 59 59 ILE N N 59 122.515 122.515 119.298 3.217 25423
2000 1 15 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.924 -0.005 25423
2001 1 15 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.227 -1.143 25423
2002 1 15 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.995 0.554 25423
2003 1 15 . 1 1 60 60 CYS N N 60 119.620 119.620 113.864 5.756 25423
2004 1 15 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.833 0.290 25423
2005 1 15 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.095 -0.171 25423
2006 1 15 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.319 1.537 25423
2007 1 15 . 1 1 60 60 CYS H H 60 8.450 8.450 7.744 0.706 25423
2008 1 15 . 1 1 61 61 ASP N N 61 119.453 119.453 119.459 -0.006 25423
2009 1 15 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.518 0.156 25423
2010 1 15 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.312 0.586 25423
2011 1 15 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.657 1.792 25423
2012 1 15 . 1 1 61 61 ASP H H 61 8.069 8.069 8.795 -0.726 25423
2013 1 15 . 1 1 62 62 LYS N N 62 122.865 122.865 119.717 3.148 25423
2014 1 15 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.397 -0.396 25423
2015 1 15 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.905 2.239 25423
2016 1 15 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.169 0.702 25423
2017 1 15 . 1 1 62 62 LYS H H 62 8.126 8.126 7.908 0.218 25423
2018 1 15 . 1 1 63 63 ILE N N 63 123.398 123.398 124.349 -0.951 25423
2019 1 15 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.049 -0.205 25423
2020 1 15 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.589 -0.734 25423
2021 1 15 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.656 0.253 25423
2022 1 15 . 1 1 64 64 PHE N N 64 124.921 124.921 122.122 2.799 25423
2023 1 15 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.987 -0.122 25423
2024 1 15 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.437 -1.168 25423
2025 1 15 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.574 -1.181 25423
2026 1 15 . 1 1 64 64 PHE H H 64 9.054 9.054 8.826 0.228 25423
2027 1 15 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.583 0.028 25423
2028 1 15 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.751 -0.701 25423
2029 1 15 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.309 0.316 25423
2030 1 15 . 1 1 66 66 ALA N N 66 121.923 121.923 124.442 -2.519 25423
2031 1 15 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.200 -0.421 25423
2032 1 15 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.454 -1.592 25423
2033 1 15 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.686 -0.542 25423
2034 1 15 . 1 1 66 66 ALA H H 66 8.271 8.271 8.350 -0.079 25423
2035 1 15 . 1 1 67 67 THR N N 67 104.076 104.076 109.623 -5.547 25423
2036 1 15 . 1 1 67 67 THR HA H 67 4.232 4.232 4.262 -0.030 25423
2037 1 15 . 1 1 67 67 THR CA C 67 61.824 61.824 63.412 -1.588 25423
2038 1 15 . 1 1 67 67 THR CB C 67 68.103 68.103 68.232 -0.129 25423
2039 1 15 . 1 1 68 68 GLU N N 68 122.788 122.788 121.173 1.615 25423
2040 1 15 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.681 0.242 25423
2041 1 15 . 1 1 68 68 GLU CA C 68 54.337 54.337 54.706 -0.369 25423
2042 1 15 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.946 -0.659 25423
2043 1 15 . 1 1 68 68 GLU H H 68 7.879 7.879 8.450 -0.571 25423
2044 1 15 . 1 1 69 69 LYS N N 69 121.136 121.136 120.722 0.414 25423
2045 1 15 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.684 -0.250 25423
2046 1 15 . 1 1 69 69 LYS CA C 69 60.410 60.410 60.066 0.343 25423
2047 1 15 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.341 -0.041 25423
2048 1 15 . 1 1 69 69 LYS H H 69 7.627 7.627 7.562 0.065 25423
2049 1 15 . 1 1 70 70 GLN N N 70 117.013 117.013 117.736 -0.723 25423
2050 1 15 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.056 -0.138 25423
2051 1 15 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.792 -0.129 25423
2052 1 15 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.058 -0.305 25423
2053 1 15 . 1 1 71 71 ILE N N 71 119.588 119.588 119.368 0.220 25423
2054 1 15 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.769 -0.014 25423
2055 1 15 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.471 -0.626 25423
2056 1 15 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.774 -0.137 25423
2057 1 15 . 1 1 72 72 PHE N N 72 122.393 122.393 121.526 0.867 25423
2058 1 15 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.103 -0.136 25423
2059 1 15 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.866 -1.430 25423
2060 1 15 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.691 -1.286 25423
2061 1 15 . 1 1 72 72 PHE H H 72 8.043 8.043 8.460 -0.417 25423
2062 1 15 . 1 1 73 73 GLU N N 73 119.350 119.350 118.994 0.356 25423
2063 1 15 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.714 -0.479 25423
2064 1 15 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.460 -0.084 25423
2065 1 15 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.435 -0.966 25423
2066 1 15 . 1 1 73 73 GLU H H 73 8.307 8.307 7.635 0.672 25423
2067 1 15 . 1 1 74 74 ASP N N 74 120.085 120.085 119.734 0.351 25423
2068 1 15 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.549 -0.181 25423
2069 1 15 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.341 -0.452 25423
2070 1 15 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.764 -0.554 25423
2071 1 15 . 1 1 74 74 ASP H H 74 8.130 8.130 7.746 0.384 25423
2072 1 15 . 1 1 75 75 HIS N N 75 120.712 120.712 120.126 0.586 25423
2073 1 15 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.196 -0.208 25423
2074 1 15 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.800 -0.071 25423
2075 1 15 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.960 -2.680 25423
2076 1 15 . 1 1 75 75 HIS H H 75 8.037 8.037 8.129 -0.092 25423
2077 1 15 . 1 1 76 76 VAL N N 76 119.276 119.276 119.027 0.249 25423
2078 1 15 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.839 -0.401 25423
2079 1 15 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.551 0.492 25423
2080 1 15 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.163 0.485 25423
2081 1 15 . 1 1 77 77 PHE N N 77 120.883 120.883 118.820 2.063 25423
2082 1 15 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.149 0.035 25423
2083 1 15 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.668 -1.130 25423
2084 1 15 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.558 0.058 25423
2085 1 15 . 1 1 77 77 PHE H H 77 7.950 7.950 7.818 0.132 25423
2086 1 15 . 1 1 78 78 CYS N N 78 116.956 116.956 117.325 -0.369 25423
2087 1 15 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.990 -0.060 25423
2088 1 15 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.477 -1.102 25423
2089 1 15 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.776 -1.681 25423
2090 1 15 . 1 1 78 78 CYS H H 78 8.017 8.017 7.687 0.330 25423
2091 1 15 . 1 1 79 79 HIS N N 79 117.041 117.041 118.443 -1.402 25423
2092 1 15 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.349 0.038 25423
2093 1 15 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.898 -0.987 25423
2094 1 15 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.243 -0.768 25423
2095 1 15 . 1 1 79 79 HIS H H 79 7.229 7.229 7.623 -0.394 25423
2096 1 15 . 1 1 80 80 SER N N 80 114.684 114.684 114.118 0.566 25423
2097 1 15 . 1 1 80 80 SER HA H 80 4.343 4.343 4.316 0.027 25423
2098 1 15 . 1 1 80 80 SER CA C 80 58.448 58.448 59.576 -1.128 25423
2099 1 15 . 1 1 80 80 SER CB C 80 63.471 63.471 63.685 -0.214 25423
2100 1 15 . 1 1 80 80 SER H H 80 7.902 7.902 7.744 0.158 25423
2101 1 16 . 1 1 50 50 MET N N 50 120.051 120.051 121.071 -1.020 25423
2102 1 16 . 1 1 50 50 MET HA H 50 4.354 4.354 4.747 -0.393 25423
2103 1 16 . 1 1 50 50 MET CA C 50 55.149 55.149 55.433 -0.284 25423
2104 1 16 . 1 1 50 50 MET CB C 50 32.514 32.514 34.663 -2.149 25423
2105 1 16 . 1 1 50 50 MET H H 50 7.944 7.944 8.423 -0.479 25423
2106 1 16 . 1 1 51 51 GLN N N 51 122.311 122.311 122.361 -0.050 25423
2107 1 16 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.712 -0.198 25423
2108 1 16 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.283 -0.980 25423
2109 1 16 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.556 -1.774 25423
2110 1 16 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.294 0.013 25423
2111 1 16 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.373 -0.892 25423
2112 1 16 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.648 1.202 25423
2113 1 16 . 1 1 53 53 LEU N N 53 121.833 121.833 122.422 -0.589 25423
2114 1 16 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.384 -0.233 25423
2115 1 16 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.486 0.446 25423
2116 1 16 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.211 -0.237 25423
2117 1 16 . 1 1 54 54 CYS N N 54 115.819 115.819 114.424 1.395 25423
2118 1 16 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.667 -0.272 25423
2119 1 16 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.119 -0.937 25423
2120 1 16 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.605 0.264 25423
2121 1 16 . 1 1 54 54 CYS H H 54 7.719 7.719 7.276 0.443 25423
2122 1 16 . 1 1 55 55 PHE N N 55 119.044 119.044 119.418 -0.374 25423
2123 1 16 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.320 0.178 25423
2124 1 16 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.903 -1.213 25423
2125 1 16 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.240 -1.259 25423
2126 1 16 . 1 1 55 55 PHE H H 55 8.790 8.790 8.857 -0.067 25423
2127 1 16 . 1 1 56 56 ASN N N 56 119.254 119.254 122.171 -2.917 25423
2128 1 16 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.148 0.187 25423
2129 1 16 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.839 -2.592 25423
2130 1 16 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.285 1.018 25423
2131 1 16 . 1 1 57 57 CYS N N 57 127.439 127.439 125.181 2.258 25423
2132 1 16 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.158 -0.253 25423
2133 1 16 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.462 0.954 25423
2134 1 16 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.484 1.303 25423
2135 1 16 . 1 1 57 57 CYS H H 57 9.404 9.404 9.004 0.400 25423
2136 1 16 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.666 -0.092 25423
2137 1 16 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.036 -0.240 25423
2138 1 16 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.230 0.682 25423
2139 1 16 . 1 1 59 59 ILE N N 59 122.515 122.515 118.116 4.399 25423
2140 1 16 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.158 -0.239 25423
2141 1 16 . 1 1 59 59 ILE CA C 59 62.084 62.084 61.781 0.304 25423
2142 1 16 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.437 0.112 25423
2143 1 16 . 1 1 60 60 CYS N N 60 119.620 119.620 115.527 4.093 25423
2144 1 16 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.831 0.292 25423
2145 1 16 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.244 -0.320 25423
2146 1 16 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.243 1.613 25423
2147 1 16 . 1 1 60 60 CYS H H 60 8.450 8.450 7.987 0.463 25423
2148 1 16 . 1 1 61 61 ASP N N 61 119.453 119.453 120.583 -1.130 25423
2149 1 16 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.541 0.133 25423
2150 1 16 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.503 0.395 25423
2151 1 16 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.531 0.918 25423
2152 1 16 . 1 1 61 61 ASP H H 61 8.069 8.069 8.344 -0.275 25423
2153 1 16 . 1 1 62 62 LYS N N 62 122.865 122.865 118.567 4.298 25423
2154 1 16 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.313 -0.312 25423
2155 1 16 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.167 0.977 25423
2156 1 16 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.559 0.312 25423
2157 1 16 . 1 1 62 62 LYS H H 62 8.126 8.126 7.798 0.328 25423
2158 1 16 . 1 1 63 63 ILE N N 63 123.398 123.398 117.457 5.941 25423
2159 1 16 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.825 0.019 25423
2160 1 16 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.931 -0.076 25423
2161 1 16 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.510 -1.601 25423
2162 1 16 . 1 1 64 64 PHE N N 64 124.921 124.921 122.450 2.471 25423
2163 1 16 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.038 -0.173 25423
2164 1 16 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.253 -0.984 25423
2165 1 16 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.365 -0.972 25423
2166 1 16 . 1 1 64 64 PHE H H 64 9.054 9.054 8.415 0.639 25423
2167 1 16 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.488 0.123 25423
2168 1 16 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.071 -1.021 25423
2169 1 16 . 1 1 65 65 PRO CB C 65 32.625 32.625 31.911 0.714 25423
2170 1 16 . 1 1 66 66 ALA N N 66 121.923 121.923 125.563 -3.640 25423
2171 1 16 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.063 -0.284 25423
2172 1 16 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.064 -1.202 25423
2173 1 16 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.711 -0.567 25423
2174 1 16 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423
2175 1 16 . 1 1 67 67 THR N N 67 104.076 104.076 109.413 -5.337 25423
2176 1 16 . 1 1 67 67 THR HA H 67 4.232 4.232 4.239 -0.007 25423
2177 1 16 . 1 1 67 67 THR CA C 67 61.824 61.824 64.373 -2.549 25423
2178 1 16 . 1 1 67 67 THR CB C 67 68.103 68.103 68.595 -0.492 25423
2179 1 16 . 1 1 68 68 GLU N N 68 122.788 122.788 121.371 1.417 25423
2180 1 16 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.729 0.194 25423
2181 1 16 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.040 -0.703 25423
2182 1 16 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.771 -0.484 25423
2183 1 16 . 1 1 68 68 GLU H H 68 7.879 7.879 8.085 -0.206 25423
2184 1 16 . 1 1 69 69 LYS N N 69 121.136 121.136 121.492 -0.356 25423
2185 1 16 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.807 -0.373 25423
2186 1 16 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.254 1.157 25423
2187 1 16 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.970 0.330 25423
2188 1 16 . 1 1 69 69 LYS H H 69 7.627 7.627 7.679 -0.052 25423
2189 1 16 . 1 1 70 70 GLN N N 70 117.013 117.013 117.824 -0.811 25423
2190 1 16 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.064 -0.146 25423
2191 1 16 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.029 -0.366 25423
2192 1 16 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.465 -0.712 25423
2193 1 16 . 1 1 71 71 ILE N N 71 119.588 119.588 119.689 -0.101 25423
2194 1 16 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.770 -0.015 25423
2195 1 16 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.740 1.105 25423
2196 1 16 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.794 0.843 25423
2197 1 16 . 1 1 72 72 PHE N N 72 122.393 122.393 121.223 1.170 25423
2198 1 16 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.280 -0.313 25423
2199 1 16 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.683 -1.247 25423
2200 1 16 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.062 -1.656 25423
2201 1 16 . 1 1 72 72 PHE H H 72 8.043 8.043 8.064 -0.021 25423
2202 1 16 . 1 1 73 73 GLU N N 73 119.350 119.350 119.665 -0.315 25423
2203 1 16 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.815 -0.580 25423
2204 1 16 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.825 -0.449 25423
2205 1 16 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.313 -0.844 25423
2206 1 16 . 1 1 73 73 GLU H H 73 8.307 8.307 7.677 0.630 25423
2207 1 16 . 1 1 74 74 ASP N N 74 120.085 120.085 119.695 0.390 25423
2208 1 16 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.360 0.008 25423
2209 1 16 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.812 -0.923 25423
2210 1 16 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.854 -0.643 25423
2211 1 16 . 1 1 74 74 ASP H H 74 8.130 8.130 7.809 0.321 25423
2212 1 16 . 1 1 75 75 HIS N N 75 120.712 120.712 119.853 0.859 25423
2213 1 16 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.173 -0.185 25423
2214 1 16 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.687 0.042 25423
2215 1 16 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.922 -2.642 25423
2216 1 16 . 1 1 75 75 HIS H H 75 8.037 8.037 7.858 0.179 25423
2217 1 16 . 1 1 76 76 VAL N N 76 119.276 119.276 119.122 0.154 25423
2218 1 16 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.824 -0.386 25423
2219 1 16 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.854 0.189 25423
2220 1 16 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.435 0.213 25423
2221 1 16 . 1 1 77 77 PHE N N 77 120.883 120.883 119.541 1.342 25423
2222 1 16 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.116 0.068 25423
2223 1 16 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.076 -0.538 25423
2224 1 16 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.893 -0.277 25423
2225 1 16 . 1 1 77 77 PHE H H 77 7.950 7.950 7.923 0.027 25423
2226 1 16 . 1 1 78 78 CYS N N 78 116.956 116.956 117.542 -0.586 25423
2227 1 16 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.051 -0.121 25423
2228 1 16 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.901 -0.526 25423
2229 1 16 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.426 -1.331 25423
2230 1 16 . 1 1 78 78 CYS H H 78 8.017 8.017 7.666 0.351 25423
2231 1 16 . 1 1 79 79 HIS N N 79 117.041 117.041 118.089 -1.048 25423
2232 1 16 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.342 0.045 25423
2233 1 16 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.640 -0.730 25423
2234 1 16 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.128 -0.653 25423
2235 1 16 . 1 1 79 79 HIS H H 79 7.229 7.229 7.603 -0.374 25423
2236 1 16 . 1 1 80 80 SER N N 80 114.684 114.684 113.865 0.819 25423
2237 1 16 . 1 1 80 80 SER HA H 80 4.343 4.343 4.224 0.119 25423
2238 1 16 . 1 1 80 80 SER CA C 80 58.448 58.448 59.288 -0.840 25423
2239 1 16 . 1 1 80 80 SER CB C 80 63.471 63.471 63.362 0.109 25423
2240 1 16 . 1 1 80 80 SER H H 80 7.902 7.902 7.582 0.320 25423
2241 1 17 . 1 1 50 50 MET N N 50 120.051 120.051 120.163 -0.112 25423
2242 1 17 . 1 1 50 50 MET HA H 50 4.354 4.354 4.617 -0.263 25423
2243 1 17 . 1 1 50 50 MET CA C 50 55.149 55.149 55.623 -0.474 25423
2244 1 17 . 1 1 50 50 MET CB C 50 32.514 32.514 33.569 -1.055 25423
2245 1 17 . 1 1 50 50 MET H H 50 7.944 7.944 8.479 -0.535 25423
2246 1 17 . 1 1 51 51 GLN N N 51 122.311 122.311 117.445 4.866 25423
2247 1 17 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.204 0.310 25423
2248 1 17 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.798 -2.495 25423
2249 1 17 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.282 0.500 25423
2250 1 17 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.407 -0.100 25423
2251 1 17 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.684 -1.203 25423
2252 1 17 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.029 -0.179 25423
2253 1 17 . 1 1 53 53 LEU N N 53 121.833 121.833 118.076 3.757 25423
2254 1 17 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.225 -0.074 25423
2255 1 17 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.085 -0.153 25423
2256 1 17 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.304 -0.330 25423
2257 1 17 . 1 1 54 54 CYS N N 54 115.819 115.819 115.318 0.501 25423
2258 1 17 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.164 0.231 25423
2259 1 17 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.044 -0.862 25423
2260 1 17 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.825 -1.956 25423
2261 1 17 . 1 1 54 54 CYS H H 54 7.719 7.719 7.059 0.660 25423
2262 1 17 . 1 1 55 55 PHE N N 55 119.044 119.044 117.872 1.172 25423
2263 1 17 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.483 0.015 25423
2264 1 17 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.267 -0.578 25423
2265 1 17 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.683 -0.702 25423
2266 1 17 . 1 1 55 55 PHE H H 55 8.790 8.790 8.789 0.001 25423
2267 1 17 . 1 1 56 56 ASN N N 56 119.254 119.254 121.536 -2.282 25423
2268 1 17 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.286 0.049 25423
2269 1 17 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.965 -0.718 25423
2270 1 17 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.141 1.162 25423
2271 1 17 . 1 1 57 57 CYS N N 57 127.439 127.439 124.945 2.494 25423
2272 1 17 . 1 1 57 57 CYS HA H 57 4.905 4.905 4.984 -0.079 25423
2273 1 17 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.610 0.806 25423
2274 1 17 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.795 1.992 25423
2275 1 17 . 1 1 57 57 CYS H H 57 9.404 9.404 8.487 0.917 25423
2276 1 17 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.418 0.156 25423
2277 1 17 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.705 -0.909 25423
2278 1 17 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.759 0.153 25423
2279 1 17 . 1 1 59 59 ILE N N 59 122.515 122.515 119.618 2.897 25423
2280 1 17 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.884 0.035 25423
2281 1 17 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.240 -1.157 25423
2282 1 17 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.842 0.707 25423
2283 1 17 . 1 1 60 60 CYS N N 60 119.620 119.620 114.354 5.266 25423
2284 1 17 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.753 0.370 25423
2285 1 17 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.235 -0.311 25423
2286 1 17 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.604 2.252 25423
2287 1 17 . 1 1 60 60 CYS H H 60 8.450 8.450 7.761 0.689 25423
2288 1 17 . 1 1 61 61 ASP N N 61 119.453 119.453 119.949 -0.496 25423
2289 1 17 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.414 0.260 25423
2290 1 17 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.423 0.475 25423
2291 1 17 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.481 0.968 25423
2292 1 17 . 1 1 61 61 ASP H H 61 8.069 8.069 8.529 -0.460 25423
2293 1 17 . 1 1 62 62 LYS N N 62 122.865 122.865 118.024 4.841 25423
2294 1 17 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.431 -0.430 25423
2295 1 17 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.800 2.344 25423
2296 1 17 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.156 -0.285 25423
2297 1 17 . 1 1 62 62 LYS H H 62 8.126 8.126 7.731 0.395 25423
2298 1 17 . 1 1 63 63 ILE N N 63 123.398 123.398 117.714 5.684 25423
2299 1 17 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.776 0.068 25423
2300 1 17 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.060 -0.205 25423
2301 1 17 . 1 1 63 63 ILE CB C 63 39.909 39.909 42.133 -2.224 25423
2302 1 17 . 1 1 64 64 PHE N N 64 124.921 124.921 122.492 2.429 25423
2303 1 17 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.083 -0.218 25423
2304 1 17 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.485 -1.216 25423
2305 1 17 . 1 1 64 64 PHE CB C 64 41.393 41.393 43.130 -1.737 25423
2306 1 17 . 1 1 64 64 PHE H H 64 9.054 9.054 9.013 0.041 25423
2307 1 17 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.136 0.475 25423
2308 1 17 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.855 -0.805 25423
2309 1 17 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.093 0.532 25423
2310 1 17 . 1 1 66 66 ALA N N 66 121.923 121.923 124.428 -2.505 25423
2311 1 17 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.330 0.449 25423
2312 1 17 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.751 -0.889 25423
2313 1 17 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.626 -0.482 25423
2314 1 17 . 1 1 66 66 ALA H H 66 8.271 8.271 8.429 -0.158 25423
2315 1 17 . 1 1 67 67 THR N N 67 104.076 104.076 109.288 -5.212 25423
2316 1 17 . 1 1 67 67 THR HA H 67 4.232 4.232 4.208 0.024 25423
2317 1 17 . 1 1 67 67 THR CA C 67 61.824 61.824 64.228 -2.404 25423
2318 1 17 . 1 1 67 67 THR CB C 67 68.103 68.103 68.763 -0.660 25423
2319 1 17 . 1 1 68 68 GLU N N 68 122.788 122.788 120.977 1.811 25423
2320 1 17 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.654 0.269 25423
2321 1 17 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.478 -1.141 25423
2322 1 17 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.319 -1.032 25423
2323 1 17 . 1 1 68 68 GLU H H 68 7.879 7.879 7.796 0.083 25423
2324 1 17 . 1 1 69 69 LYS N N 69 121.136 121.136 121.131 0.005 25423
2325 1 17 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.176 -0.742 25423
2326 1 17 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.805 0.605 25423
2327 1 17 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.459 -0.159 25423
2328 1 17 . 1 1 69 69 LYS H H 69 7.627 7.627 7.918 -0.291 25423
2329 1 17 . 1 1 70 70 GLN N N 70 117.013 117.013 118.470 -1.457 25423
2330 1 17 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.173 -0.255 25423
2331 1 17 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.188 -0.525 25423
2332 1 17 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.427 -0.674 25423
2333 1 17 . 1 1 71 71 ILE N N 71 119.588 119.588 119.684 -0.096 25423
2334 1 17 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.790 -0.035 25423
2335 1 17 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.531 -0.686 25423
2336 1 17 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.820 -0.183 25423
2337 1 17 . 1 1 72 72 PHE N N 72 122.393 122.393 121.281 1.112 25423
2338 1 17 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.163 -0.196 25423
2339 1 17 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.959 -1.523 25423
2340 1 17 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.093 -1.687 25423
2341 1 17 . 1 1 72 72 PHE H H 72 8.043 8.043 8.356 -0.313 25423
2342 1 17 . 1 1 73 73 GLU N N 73 119.350 119.350 119.045 0.305 25423
2343 1 17 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.743 -0.508 25423
2344 1 17 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.410 -0.034 25423
2345 1 17 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.425 -0.956 25423
2346 1 17 . 1 1 73 73 GLU H H 73 8.307 8.307 7.790 0.517 25423
2347 1 17 . 1 1 74 74 ASP N N 74 120.085 120.085 120.080 0.005 25423
2348 1 17 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.563 -0.195 25423
2349 1 17 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.233 -0.344 25423
2350 1 17 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.151 -0.940 25423
2351 1 17 . 1 1 74 74 ASP H H 74 8.130 8.130 7.745 0.385 25423
2352 1 17 . 1 1 75 75 HIS N N 75 120.712 120.712 120.072 0.640 25423
2353 1 17 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.225 -0.237 25423
2354 1 17 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.510 0.219 25423
2355 1 17 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.876 -2.596 25423
2356 1 17 . 1 1 75 75 HIS H H 75 8.037 8.037 8.045 -0.008 25423
2357 1 17 . 1 1 76 76 VAL N N 76 119.276 119.276 118.746 0.530 25423
2358 1 17 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.779 -0.341 25423
2359 1 17 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.385 0.658 25423
2360 1 17 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.176 0.472 25423
2361 1 17 . 1 1 77 77 PHE N N 77 120.883 120.883 118.954 1.929 25423
2362 1 17 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.178 0.006 25423
2363 1 17 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.568 -1.030 25423
2364 1 17 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.323 0.293 25423
2365 1 17 . 1 1 77 77 PHE H H 77 7.950 7.950 7.981 -0.031 25423
2366 1 17 . 1 1 78 78 CYS N N 78 116.956 116.956 117.192 -0.236 25423
2367 1 17 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.026 -0.096 25423
2368 1 17 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.321 -0.946 25423
2369 1 17 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.623 -1.528 25423
2370 1 17 . 1 1 78 78 CYS H H 78 8.017 8.017 7.678 0.339 25423
2371 1 17 . 1 1 79 79 HIS N N 79 117.041 117.041 118.362 -1.321 25423
2372 1 17 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.372 0.015 25423
2373 1 17 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.577 -0.667 25423
2374 1 17 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.257 -0.782 25423
2375 1 17 . 1 1 79 79 HIS H H 79 7.229 7.229 7.667 -0.438 25423
2376 1 17 . 1 1 80 80 SER N N 80 114.684 114.684 114.040 0.644 25423
2377 1 17 . 1 1 80 80 SER HA H 80 4.343 4.343 4.380 -0.037 25423
2378 1 17 . 1 1 80 80 SER CA C 80 58.448 58.448 59.564 -1.116 25423
2379 1 17 . 1 1 80 80 SER CB C 80 63.471 63.471 63.704 -0.233 25423
2380 1 17 . 1 1 80 80 SER H H 80 7.902 7.902 7.736 0.166 25423
2381 1 18 . 1 1 50 50 MET N N 50 120.051 120.051 124.011 -3.960 25423
2382 1 18 . 1 1 50 50 MET HA H 50 4.354 4.354 4.636 -0.282 25423
2383 1 18 . 1 1 50 50 MET CA C 50 55.149 55.149 55.524 -0.375 25423
2384 1 18 . 1 1 50 50 MET CB C 50 32.514 32.514 33.070 -0.556 25423
2385 1 18 . 1 1 50 50 MET H H 50 7.944 7.944 8.537 -0.593 25423
2386 1 18 . 1 1 51 51 GLN N N 51 122.311 122.311 124.717 -2.406 25423
2387 1 18 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.526 -0.012 25423
2388 1 18 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.306 -1.003 25423
2389 1 18 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.101 -0.319 25423
2390 1 18 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.162 0.145 25423
2391 1 18 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.739 -1.258 25423
2392 1 18 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.918 -0.068 25423
2393 1 18 . 1 1 53 53 LEU N N 53 121.833 121.833 116.670 5.163 25423
2394 1 18 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.928 0.223 25423
2395 1 18 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.976 -0.044 25423
2396 1 18 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.690 1.284 25423
2397 1 18 . 1 1 54 54 CYS N N 54 115.819 115.819 114.917 0.902 25423
2398 1 18 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.595 -0.200 25423
2399 1 18 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.716 -1.534 25423
2400 1 18 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.357 -0.488 25423
2401 1 18 . 1 1 54 54 CYS H H 54 7.719 7.719 7.274 0.445 25423
2402 1 18 . 1 1 55 55 PHE N N 55 119.044 119.044 119.980 -0.936 25423
2403 1 18 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.383 0.115 25423
2404 1 18 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.139 -1.449 25423
2405 1 18 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.462 -2.481 25423
2406 1 18 . 1 1 55 55 PHE H H 55 8.790 8.790 9.158 -0.368 25423
2407 1 18 . 1 1 56 56 ASN N N 56 119.254 119.254 121.743 -2.489 25423
2408 1 18 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.005 0.330 25423
2409 1 18 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.281 -1.034 25423
2410 1 18 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.364 0.939 25423
2411 1 18 . 1 1 57 57 CYS N N 57 127.439 127.439 124.100 3.339 25423
2412 1 18 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.247 -0.342 25423
2413 1 18 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.381 1.035 25423
2414 1 18 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.492 1.295 25423
2415 1 18 . 1 1 57 57 CYS H H 57 9.404 9.404 8.905 0.499 25423
2416 1 18 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.637 -0.063 25423
2417 1 18 . 1 1 58 58 PRO CA C 58 63.796 63.796 63.703 0.094 25423
2418 1 18 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.082 0.830 25423
2419 1 18 . 1 1 59 59 ILE N N 59 122.515 122.515 118.723 3.792 25423
2420 1 18 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.171 -0.252 25423
2421 1 18 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.166 -0.082 25423
2422 1 18 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.988 -0.439 25423
2423 1 18 . 1 1 60 60 CYS N N 60 119.620 119.620 116.233 3.387 25423
2424 1 18 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.825 0.298 25423
2425 1 18 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.492 -0.569 25423
2426 1 18 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.039 1.817 25423
2427 1 18 . 1 1 60 60 CYS H H 60 8.450 8.450 7.860 0.590 25423
2428 1 18 . 1 1 61 61 ASP N N 61 119.453 119.453 119.231 0.222 25423
2429 1 18 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.474 0.200 25423
2430 1 18 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.418 0.480 25423
2431 1 18 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.532 0.917 25423
2432 1 18 . 1 1 61 61 ASP H H 61 8.069 8.069 8.228 -0.159 25423
2433 1 18 . 1 1 62 62 LYS N N 62 122.865 122.865 119.058 3.807 25423
2434 1 18 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.022 -0.021 25423
2435 1 18 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.124 1.020 25423
2436 1 18 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.753 1.118 25423
2437 1 18 . 1 1 62 62 LYS H H 62 8.126 8.126 7.608 0.518 25423
2438 1 18 . 1 1 63 63 ILE N N 63 123.398 123.398 123.290 0.108 25423
2439 1 18 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.857 -0.013 25423
2440 1 18 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.316 0.539 25423
2441 1 18 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.600 -0.691 25423
2442 1 18 . 1 1 64 64 PHE N N 64 124.921 124.921 122.781 2.140 25423
2443 1 18 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.058 -0.193 25423
2444 1 18 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.043 -0.774 25423
2445 1 18 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.629 1.764 25423
2446 1 18 . 1 1 64 64 PHE H H 64 9.054 9.054 9.076 -0.022 25423
2447 1 18 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.480 0.131 25423
2448 1 18 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.614 -0.564 25423
2449 1 18 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.104 0.521 25423
2450 1 18 . 1 1 66 66 ALA N N 66 121.923 121.923 123.581 -1.658 25423
2451 1 18 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.161 -0.382 25423
2452 1 18 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.084 -1.222 25423
2453 1 18 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.872 -0.728 25423
2454 1 18 . 1 1 66 66 ALA H H 66 8.271 8.271 8.114 0.157 25423
2455 1 18 . 1 1 67 67 THR N N 67 104.076 104.076 108.803 -4.727 25423
2456 1 18 . 1 1 67 67 THR HA H 67 4.232 4.232 4.246 -0.014 25423
2457 1 18 . 1 1 67 67 THR CA C 67 61.824 61.824 63.818 -1.994 25423
2458 1 18 . 1 1 67 67 THR CB C 67 68.103 68.103 68.582 -0.479 25423
2459 1 18 . 1 1 68 68 GLU N N 68 122.788 122.788 121.324 1.464 25423
2460 1 18 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.653 0.270 25423
2461 1 18 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.780 -1.443 25423
2462 1 18 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.237 -0.950 25423
2463 1 18 . 1 1 68 68 GLU H H 68 7.879 7.879 7.720 0.159 25423
2464 1 18 . 1 1 69 69 LYS N N 69 121.136 121.136 119.765 1.371 25423
2465 1 18 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.718 -0.284 25423
2466 1 18 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.333 1.077 25423
2467 1 18 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.438 0.862 25423
2468 1 18 . 1 1 69 69 LYS H H 69 7.627 7.627 7.661 -0.034 25423
2469 1 18 . 1 1 70 70 GLN N N 70 117.013 117.013 118.932 -1.919 25423
2470 1 18 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.034 -0.116 25423
2471 1 18 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.730 -0.067 25423
2472 1 18 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.161 -0.408 25423
2473 1 18 . 1 1 71 71 ILE N N 71 119.588 119.588 119.596 -0.008 25423
2474 1 18 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.646 0.109 25423
2475 1 18 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.162 -0.317 25423
2476 1 18 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.387 0.250 25423
2477 1 18 . 1 1 72 72 PHE N N 72 122.393 122.393 121.394 0.999 25423
2478 1 18 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.461 -0.494 25423
2479 1 18 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.029 -0.593 25423
2480 1 18 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.344 -0.938 25423
2481 1 18 . 1 1 72 72 PHE H H 72 8.043 8.043 7.984 0.059 25423
2482 1 18 . 1 1 73 73 GLU N N 73 119.350 119.350 118.723 0.627 25423
2483 1 18 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.634 -0.399 25423
2484 1 18 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.317 0.059 25423
2485 1 18 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.248 -0.779 25423
2486 1 18 . 1 1 73 73 GLU H H 73 8.307 8.307 7.643 0.664 25423
2487 1 18 . 1 1 74 74 ASP N N 74 120.085 120.085 120.086 -0.001 25423
2488 1 18 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.468 -0.100 25423
2489 1 18 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.995 -1.107 25423
2490 1 18 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.935 -0.724 25423
2491 1 18 . 1 1 74 74 ASP H H 74 8.130 8.130 7.763 0.367 25423
2492 1 18 . 1 1 75 75 HIS N N 75 120.712 120.712 120.183 0.529 25423
2493 1 18 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.289 -0.301 25423
2494 1 18 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.770 -0.041 25423
2495 1 18 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.266 -2.986 25423
2496 1 18 . 1 1 75 75 HIS H H 75 8.037 8.037 8.297 -0.260 25423
2497 1 18 . 1 1 76 76 VAL N N 76 119.276 119.276 118.937 0.339 25423
2498 1 18 . 1 1 76 76 VAL HA H 76 3.438 3.438 4.008 -0.571 25423
2499 1 18 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.744 0.299 25423
2500 1 18 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.216 0.432 25423
2501 1 18 . 1 1 77 77 PHE N N 77 120.883 120.883 120.317 0.566 25423
2502 1 18 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.171 0.013 25423
2503 1 18 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.138 -0.600 25423
2504 1 18 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.509 0.107 25423
2505 1 18 . 1 1 77 77 PHE H H 77 7.950 7.950 8.094 -0.144 25423
2506 1 18 . 1 1 78 78 CYS N N 78 116.956 116.956 117.068 -0.112 25423
2507 1 18 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.754 0.176 25423
2508 1 18 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.916 -1.541 25423
2509 1 18 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.530 -1.435 25423
2510 1 18 . 1 1 78 78 CYS H H 78 8.017 8.017 7.642 0.375 25423
2511 1 18 . 1 1 79 79 HIS N N 79 117.041 117.041 118.248 -1.207 25423
2512 1 18 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.339 0.048 25423
2513 1 18 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.627 -0.717 25423
2514 1 18 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.187 -0.712 25423
2515 1 18 . 1 1 79 79 HIS H H 79 7.229 7.229 7.676 -0.447 25423
2516 1 18 . 1 1 80 80 SER N N 80 114.684 114.684 113.891 0.793 25423
2517 1 18 . 1 1 80 80 SER HA H 80 4.343 4.343 4.290 0.053 25423
2518 1 18 . 1 1 80 80 SER CA C 80 58.448 58.448 59.554 -1.106 25423
2519 1 18 . 1 1 80 80 SER CB C 80 63.471 63.471 63.643 -0.172 25423
2520 1 18 . 1 1 80 80 SER H H 80 7.902 7.902 7.614 0.288 25423
2521 1 19 . 1 1 50 50 MET N N 50 120.051 120.051 121.991 -1.940 25423
2522 1 19 . 1 1 50 50 MET HA H 50 4.354 4.354 4.622 -0.268 25423
2523 1 19 . 1 1 50 50 MET CA C 50 55.149 55.149 55.667 -0.518 25423
2524 1 19 . 1 1 50 50 MET CB C 50 32.514 32.514 33.292 -0.778 25423
2525 1 19 . 1 1 50 50 MET H H 50 7.944 7.944 8.097 -0.153 25423
2526 1 19 . 1 1 51 51 GLN N N 51 122.311 122.311 121.568 0.743 25423
2527 1 19 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.670 -0.156 25423
2528 1 19 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.650 -1.347 25423
2529 1 19 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.970 -2.188 25423
2530 1 19 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.319 -0.012 25423
2531 1 19 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.774 -0.293 25423
2532 1 19 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.306 -0.456 25423
2533 1 19 . 1 1 53 53 LEU N N 53 121.833 121.833 118.592 3.241 25423
2534 1 19 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.447 -0.296 25423
2535 1 19 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.834 0.098 25423
2536 1 19 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.813 0.161 25423
2537 1 19 . 1 1 54 54 CYS N N 54 115.819 115.819 112.800 3.019 25423
2538 1 19 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.321 0.074 25423
2539 1 19 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.728 -0.546 25423
2540 1 19 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.109 0.760 25423
2541 1 19 . 1 1 54 54 CYS H H 54 7.719 7.719 7.181 0.538 25423
2542 1 19 . 1 1 55 55 PHE N N 55 119.044 119.044 116.179 2.865 25423
2543 1 19 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.541 -0.043 25423
2544 1 19 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.510 -0.820 25423
2545 1 19 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.569 -1.588 25423
2546 1 19 . 1 1 55 55 PHE H H 55 8.790 8.790 8.710 0.080 25423
2547 1 19 . 1 1 56 56 ASN N N 56 119.254 119.254 118.357 0.897 25423
2548 1 19 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.058 0.277 25423
2549 1 19 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.633 -1.387 25423
2550 1 19 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.855 -0.552 25423
2551 1 19 . 1 1 57 57 CYS N N 57 127.439 127.439 125.864 1.575 25423
2552 1 19 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.227 -0.322 25423
2553 1 19 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.593 0.823 25423
2554 1 19 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.854 1.933 25423
2555 1 19 . 1 1 57 57 CYS H H 57 9.404 9.404 9.242 0.162 25423
2556 1 19 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.474 0.100 25423
2557 1 19 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.966 -1.170 25423
2558 1 19 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.577 0.335 25423
2559 1 19 . 1 1 59 59 ILE N N 59 122.515 122.515 119.373 3.142 25423
2560 1 19 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.965 -0.046 25423
2561 1 19 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.059 -0.975 25423
2562 1 19 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.985 0.564 25423
2563 1 19 . 1 1 60 60 CYS N N 60 119.620 119.620 114.303 5.317 25423
2564 1 19 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.761 0.362 25423
2565 1 19 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.589 -0.665 25423
2566 1 19 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.430 1.426 25423
2567 1 19 . 1 1 60 60 CYS H H 60 8.450 8.450 7.877 0.573 25423
2568 1 19 . 1 1 61 61 ASP N N 61 119.453 119.453 120.412 -0.959 25423
2569 1 19 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.527 0.147 25423
2570 1 19 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.404 0.494 25423
2571 1 19 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.336 1.113 25423
2572 1 19 . 1 1 61 61 ASP H H 61 8.069 8.069 8.606 -0.537 25423
2573 1 19 . 1 1 62 62 LYS N N 62 122.865 122.865 119.618 3.247 25423
2574 1 19 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.399 -0.398 25423
2575 1 19 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.625 2.519 25423
2576 1 19 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.225 0.646 25423
2577 1 19 . 1 1 62 62 LYS H H 62 8.126 8.126 7.815 0.311 25423
2578 1 19 . 1 1 63 63 ILE N N 63 123.398 123.398 124.507 -1.109 25423
2579 1 19 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.598 0.246 25423
2580 1 19 . 1 1 63 63 ILE CA C 63 59.855 59.855 61.176 -1.321 25423
2581 1 19 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.168 0.741 25423
2582 1 19 . 1 1 64 64 PHE N N 64 124.921 124.921 121.857 3.064 25423
2583 1 19 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.953 -0.088 25423
2584 1 19 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.688 -1.419 25423
2585 1 19 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.690 -1.296 25423
2586 1 19 . 1 1 64 64 PHE H H 64 9.054 9.054 8.738 0.316 25423
2587 1 19 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.307 0.304 25423
2588 1 19 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.211 -1.161 25423
2589 1 19 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.104 0.521 25423
2590 1 19 . 1 1 66 66 ALA N N 66 121.923 121.923 123.583 -1.660 25423
2591 1 19 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.053 -0.274 25423
2592 1 19 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.071 -1.209 25423
2593 1 19 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.808 -0.664 25423
2594 1 19 . 1 1 66 66 ALA H H 66 8.271 8.271 8.226 0.045 25423
2595 1 19 . 1 1 67 67 THR N N 67 104.076 104.076 109.698 -5.622 25423
2596 1 19 . 1 1 67 67 THR HA H 67 4.232 4.232 4.223 0.009 25423
2597 1 19 . 1 1 67 67 THR CA C 67 61.824 61.824 64.391 -2.567 25423
2598 1 19 . 1 1 67 67 THR CB C 67 68.103 68.103 68.806 -0.703 25423
2599 1 19 . 1 1 68 68 GLU N N 68 122.788 122.788 120.769 2.019 25423
2600 1 19 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.650 0.273 25423
2601 1 19 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.515 -1.178 25423
2602 1 19 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.496 -1.209 25423
2603 1 19 . 1 1 68 68 GLU H H 68 7.879 7.879 7.800 0.079 25423
2604 1 19 . 1 1 69 69 LYS N N 69 121.136 121.136 120.833 0.303 25423
2605 1 19 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.047 -0.613 25423
2606 1 19 . 1 1 69 69 LYS CA C 69 60.410 60.410 60.194 0.216 25423
2607 1 19 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.499 -0.199 25423
2608 1 19 . 1 1 69 69 LYS H H 69 7.627 7.627 7.646 -0.019 25423
2609 1 19 . 1 1 70 70 GLN N N 70 117.013 117.013 118.252 -1.239 25423
2610 1 19 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.086 -0.168 25423
2611 1 19 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.604 0.059 25423
2612 1 19 . 1 1 70 70 GLN CB C 70 27.753 27.753 27.986 -0.234 25423
2613 1 19 . 1 1 71 71 ILE N N 71 119.588 119.588 119.634 -0.046 25423
2614 1 19 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.765 -0.010 25423
2615 1 19 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.205 -0.360 25423
2616 1 19 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.688 -0.051 25423
2617 1 19 . 1 1 72 72 PHE N N 72 122.393 122.393 121.351 1.042 25423
2618 1 19 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.016 -0.049 25423
2619 1 19 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.070 -0.634 25423
2620 1 19 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.641 -1.235 25423
2621 1 19 . 1 1 72 72 PHE H H 72 8.043 8.043 8.348 -0.305 25423
2622 1 19 . 1 1 73 73 GLU N N 73 119.350 119.350 118.782 0.568 25423
2623 1 19 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.747 -0.512 25423
2624 1 19 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.681 -0.305 25423
2625 1 19 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.347 -0.878 25423
2626 1 19 . 1 1 73 73 GLU H H 73 8.307 8.307 7.754 0.553 25423
2627 1 19 . 1 1 74 74 ASP N N 74 120.085 120.085 119.679 0.406 25423
2628 1 19 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.417 -0.049 25423
2629 1 19 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.977 -0.088 25423
2630 1 19 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.479 -0.268 25423
2631 1 19 . 1 1 74 74 ASP H H 74 8.130 8.130 7.775 0.355 25423
2632 1 19 . 1 1 75 75 HIS N N 75 120.712 120.712 120.269 0.443 25423
2633 1 19 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.258 -0.270 25423
2634 1 19 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.648 0.081 25423
2635 1 19 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.048 -2.768 25423
2636 1 19 . 1 1 75 75 HIS H H 75 8.037 8.037 8.140 -0.103 25423
2637 1 19 . 1 1 76 76 VAL N N 76 119.276 119.276 118.860 0.416 25423
2638 1 19 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.853 -0.415 25423
2639 1 19 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.626 0.417 25423
2640 1 19 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.350 0.298 25423
2641 1 19 . 1 1 77 77 PHE N N 77 120.883 120.883 118.529 2.354 25423
2642 1 19 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.227 -0.043 25423
2643 1 19 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.707 -1.169 25423
2644 1 19 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.757 -0.141 25423
2645 1 19 . 1 1 77 77 PHE H H 77 7.950 7.950 8.033 -0.083 25423
2646 1 19 . 1 1 78 78 CYS N N 78 116.956 116.956 117.711 -0.755 25423
2647 1 19 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.034 -0.104 25423
2648 1 19 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.470 -1.095 25423
2649 1 19 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.855 -0.760 25423
2650 1 19 . 1 1 78 78 CYS H H 78 8.017 8.017 7.664 0.353 25423
2651 1 19 . 1 1 79 79 HIS N N 79 117.041 117.041 118.340 -1.299 25423
2652 1 19 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.380 0.007 25423
2653 1 19 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.691 -0.781 25423
2654 1 19 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.359 -0.884 25423
2655 1 19 . 1 1 79 79 HIS H H 79 7.229 7.229 7.742 -0.513 25423
2656 1 19 . 1 1 80 80 SER N N 80 114.684 114.684 113.922 0.762 25423
2657 1 19 . 1 1 80 80 SER HA H 80 4.343 4.343 4.270 0.073 25423
2658 1 19 . 1 1 80 80 SER CA C 80 58.448 58.448 59.910 -1.462 25423
2659 1 19 . 1 1 80 80 SER CB C 80 63.471 63.471 63.557 -0.086 25423
2660 1 19 . 1 1 80 80 SER H H 80 7.902 7.902 7.769 0.133 25423
2661 1 20 . 1 1 50 50 MET N N 50 120.051 120.051 118.238 1.813 25423
2662 1 20 . 1 1 50 50 MET HA H 50 4.354 4.354 4.104 0.250 25423
2663 1 20 . 1 1 50 50 MET CA C 50 55.149 55.149 56.645 -1.496 25423
2664 1 20 . 1 1 50 50 MET CB C 50 32.514 32.514 32.328 0.186 25423
2665 1 20 . 1 1 50 50 MET H H 50 7.944 7.944 7.626 0.318 25423
2666 1 20 . 1 1 51 51 GLN N N 51 122.311 122.311 119.165 3.146 25423
2667 1 20 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.631 -0.117 25423
2668 1 20 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.315 -1.012 25423
2669 1 20 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.937 -2.155 25423
2670 1 20 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.249 0.058 25423
2671 1 20 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.498 -0.017 25423
2672 1 20 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.392 -0.542 25423
2673 1 20 . 1 1 53 53 LEU N N 53 121.833 121.833 116.461 5.372 25423
2674 1 20 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.895 0.256 25423
2675 1 20 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.464 -0.532 25423
2676 1 20 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.225 0.749 25423
2677 1 20 . 1 1 54 54 CYS N N 54 115.819 115.819 114.505 1.314 25423
2678 1 20 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.355 0.040 25423
2679 1 20 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.121 -0.939 25423
2680 1 20 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.181 -1.312 25423
2681 1 20 . 1 1 54 54 CYS H H 54 7.719 7.719 7.077 0.642 25423
2682 1 20 . 1 1 55 55 PHE N N 55 119.044 119.044 120.489 -1.445 25423
2683 1 20 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.279 0.219 25423
2684 1 20 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.164 -0.475 25423
2685 1 20 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.708 -0.727 25423
2686 1 20 . 1 1 55 55 PHE H H 55 8.790 8.790 9.056 -0.266 25423
2687 1 20 . 1 1 56 56 ASN N N 56 119.254 119.254 120.993 -1.739 25423
2688 1 20 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.992 0.343 25423
2689 1 20 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.115 0.132 25423
2690 1 20 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.292 1.010 25423
2691 1 20 . 1 1 57 57 CYS N N 57 127.439 127.439 123.372 4.067 25423
2692 1 20 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.114 -0.209 25423
2693 1 20 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.648 0.768 25423
2694 1 20 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.174 1.613 25423
2695 1 20 . 1 1 57 57 CYS H H 57 9.404 9.404 9.113 0.291 25423
2696 1 20 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.478 0.096 25423
2697 1 20 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.727 -0.931 25423
2698 1 20 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.810 0.102 25423
2699 1 20 . 1 1 59 59 ILE N N 59 122.515 122.515 119.610 2.905 25423
2700 1 20 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.822 0.097 25423
2701 1 20 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.520 -1.436 25423
2702 1 20 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.771 0.778 25423
2703 1 20 . 1 1 60 60 CYS N N 60 119.620 119.620 116.564 3.056 25423
2704 1 20 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.675 0.448 25423
2705 1 20 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.244 -1.320 25423
2706 1 20 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.902 1.954 25423
2707 1 20 . 1 1 60 60 CYS H H 60 8.450 8.450 8.117 0.333 25423
2708 1 20 . 1 1 61 61 ASP N N 61 119.453 119.453 115.860 3.593 25423
2709 1 20 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.502 0.172 25423
2710 1 20 . 1 1 61 61 ASP CA C 61 55.898 55.898 53.847 2.051 25423
2711 1 20 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.447 0.002 25423
2712 1 20 . 1 1 61 61 ASP H H 61 8.069 8.069 8.248 -0.179 25423
2713 1 20 . 1 1 62 62 LYS N N 62 122.865 122.865 122.574 0.291 25423
2714 1 20 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.880 0.121 25423
2715 1 20 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.891 0.254 25423
2716 1 20 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.433 1.438 25423
2717 1 20 . 1 1 62 62 LYS H H 62 8.126 8.126 7.866 0.260 25423
2718 1 20 . 1 1 63 63 ILE N N 63 123.398 123.398 122.438 0.960 25423
2719 1 20 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.697 0.147 25423
2720 1 20 . 1 1 63 63 ILE CA C 63 59.855 59.855 58.745 1.111 25423
2721 1 20 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.772 -1.863 25423
2722 1 20 . 1 1 64 64 PHE N N 64 124.921 124.921 118.952 5.969 25423
2723 1 20 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.085 -0.220 25423
2724 1 20 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.080 -0.811 25423
2725 1 20 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.979 1.414 25423
2726 1 20 . 1 1 64 64 PHE H H 64 9.054 9.054 8.984 0.070 25423
2727 1 20 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.462 0.149 25423
2728 1 20 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.195 -0.145 25423
2729 1 20 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.520 0.105 25423
2730 1 20 . 1 1 66 66 ALA N N 66 121.923 121.923 123.124 -1.201 25423
2731 1 20 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.619 0.160 25423
2732 1 20 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.094 -1.232 25423
2733 1 20 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.549 -0.406 25423
2734 1 20 . 1 1 66 66 ALA H H 66 8.271 8.271 8.496 -0.225 25423
2735 1 20 . 1 1 67 67 THR N N 67 104.076 104.076 109.120 -5.044 25423
2736 1 20 . 1 1 67 67 THR HA H 67 4.232 4.232 4.201 0.031 25423
2737 1 20 . 1 1 67 67 THR CA C 67 61.824 61.824 64.285 -2.461 25423
2738 1 20 . 1 1 67 67 THR CB C 67 68.103 68.103 68.518 -0.415 25423
2739 1 20 . 1 1 68 68 GLU N N 68 122.788 122.788 121.118 1.670 25423
2740 1 20 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.541 0.382 25423
2741 1 20 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.747 -1.410 25423
2742 1 20 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.461 -1.174 25423
2743 1 20 . 1 1 68 68 GLU H H 68 7.879 7.879 8.063 -0.184 25423
2744 1 20 . 1 1 69 69 LYS N N 69 121.136 121.136 120.854 0.282 25423
2745 1 20 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.078 -0.644 25423
2746 1 20 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.767 0.643 25423
2747 1 20 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.396 -0.096 25423
2748 1 20 . 1 1 69 69 LYS H H 69 7.627 7.627 7.854 -0.227 25423
2749 1 20 . 1 1 70 70 GLN N N 70 117.013 117.013 117.632 -0.619 25423
2750 1 20 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.304 -0.386 25423
2751 1 20 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.072 -0.409 25423
2752 1 20 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.224 -0.471 25423
2753 1 20 . 1 1 71 71 ILE N N 71 119.588 119.588 118.863 0.725 25423
2754 1 20 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.740 0.015 25423
2755 1 20 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.429 -0.584 25423
2756 1 20 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.611 0.026 25423
2757 1 20 . 1 1 72 72 PHE N N 72 122.393 122.393 121.594 0.799 25423
2758 1 20 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.445 -0.478 25423
2759 1 20 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.880 -1.444 25423
2760 1 20 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.937 -1.531 25423
2761 1 20 . 1 1 72 72 PHE H H 72 8.043 8.043 8.346 -0.303 25423
2762 1 20 . 1 1 73 73 GLU N N 73 119.350 119.350 118.113 1.237 25423
2763 1 20 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.698 -0.463 25423
2764 1 20 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.096 0.280 25423
2765 1 20 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.032 -0.563 25423
2766 1 20 . 1 1 73 73 GLU H H 73 8.307 8.307 7.936 0.371 25423
2767 1 20 . 1 1 74 74 ASP N N 74 120.085 120.085 120.668 -0.583 25423
2768 1 20 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.422 -0.054 25423
2769 1 20 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.006 -0.117 25423
2770 1 20 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.796 -0.585 25423
2771 1 20 . 1 1 74 74 ASP H H 74 8.130 8.130 7.757 0.373 25423
2772 1 20 . 1 1 75 75 HIS N N 75 120.712 120.712 120.628 0.084 25423
2773 1 20 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.257 -0.269 25423
2774 1 20 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.781 -0.052 25423
2775 1 20 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.170 -2.890 25423
2776 1 20 . 1 1 75 75 HIS H H 75 8.037 8.037 8.258 -0.221 25423
2777 1 20 . 1 1 76 76 VAL N N 76 119.276 119.276 118.786 0.490 25423
2778 1 20 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.981 -0.543 25423
2779 1 20 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.274 1.769 25423
2780 1 20 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.556 1.092 25423
2781 1 20 . 1 1 77 77 PHE N N 77 120.883 120.883 119.988 0.895 25423
2782 1 20 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.146 0.038 25423
2783 1 20 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.719 -1.181 25423
2784 1 20 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.734 -0.118 25423
2785 1 20 . 1 1 77 77 PHE H H 77 7.950 7.950 7.908 0.042 25423
2786 1 20 . 1 1 78 78 CYS N N 78 116.956 116.956 117.401 -0.445 25423
2787 1 20 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.987 -0.057 25423
2788 1 20 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.382 -1.007 25423
2789 1 20 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.461 -1.366 25423
2790 1 20 . 1 1 78 78 CYS H H 78 8.017 8.017 7.744 0.273 25423
2791 1 20 . 1 1 79 79 HIS N N 79 117.041 117.041 118.548 -1.507 25423
2792 1 20 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.348 0.039 25423
2793 1 20 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.792 -0.882 25423
2794 1 20 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.348 -0.873 25423
2795 1 20 . 1 1 79 79 HIS H H 79 7.229 7.229 7.635 -0.406 25423
2796 1 20 . 1 1 80 80 SER N N 80 114.684 114.684 113.960 0.724 25423
2797 1 20 . 1 1 80 80 SER HA H 80 4.343 4.343 4.304 0.039 25423
2798 1 20 . 1 1 80 80 SER CA C 80 58.448 58.448 59.595 -1.147 25423
2799 1 20 . 1 1 80 80 SER CB C 80 63.471 63.471 63.394 0.077 25423
2800 1 20 . 1 1 80 80 SER H H 80 7.902 7.902 7.691 0.211 25423
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 28 2.324 -0.545 2.301 25423
2 1 1 "Average Difference" HA 31 0.340 0.031 0.344 25423
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25423
4 1 1 "Average Difference" CA 31 0.975 0.441 0.885 25423
5 1 1 "Average Difference" CB 31 1.039 -0.016 1.056 25423
6 1 1 "Average Difference" HN 19 0.415 -0.070 0.421 25423
7 1 2 "Average Difference" N 28 2.312 -0.751 2.227 25423
8 1 2 "Average Difference" HA 31 0.267 0.090 0.256 25423
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25423
10 1 2 "Average Difference" CA 31 1.037 0.527 0.909 25423
11 1 2 "Average Difference" CB 31 1.049 0.223 1.042 25423
12 1 2 "Average Difference" HN 19 0.366 -0.074 0.368 25423
13 1 3 "Average Difference" N 28 2.850 -1.165 2.649 25423
14 1 3 "Average Difference" HA 31 0.247 0.050 0.246 25423
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25423
16 1 3 "Average Difference" CA 31 1.257 0.724 1.044 25423
17 1 3 "Average Difference" CB 31 1.086 0.238 1.077 25423
18 1 3 "Average Difference" HN 19 0.411 -0.181 0.380 25423
19 1 4 "Average Difference" N 28 2.398 -0.901 2.264 25423
20 1 4 "Average Difference" HA 31 0.235 0.055 0.233 25423
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25423
22 1 4 "Average Difference" CA 31 0.933 0.413 0.851 25423
23 1 4 "Average Difference" CB 31 0.992 0.132 0.999 25423
24 1 4 "Average Difference" HN 19 0.437 -0.077 0.442 25423
25 1 5 "Average Difference" N 28 2.370 -0.603 2.334 25423
26 1 5 "Average Difference" HA 31 0.282 0.018 0.286 25423
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25423
28 1 5 "Average Difference" CA 31 1.608 0.734 1.455 25423
29 1 5 "Average Difference" CB 31 1.059 0.084 1.073 25423
30 1 5 "Average Difference" HN 19 0.309 -0.087 0.305 25423
31 1 6 "Average Difference" N 28 2.136 -0.560 2.099 25423
32 1 6 "Average Difference" HA 31 0.304 0.040 0.306 25423
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25423
34 1 6 "Average Difference" CA 31 1.060 0.435 0.983 25423
35 1 6 "Average Difference" CB 31 1.140 0.177 1.144 25423
36 1 6 "Average Difference" HN 19 0.371 -0.160 0.344 25423
37 1 7 "Average Difference" N 28 2.308 -0.357 2.322 25423
38 1 7 "Average Difference" HA 31 0.233 0.081 0.222 25423
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25423
40 1 7 "Average Difference" CA 31 0.984 0.597 0.795 25423
41 1 7 "Average Difference" CB 31 1.053 0.212 1.049 25423
42 1 7 "Average Difference" HN 19 0.396 -0.101 0.393 25423
43 1 8 "Average Difference" N 28 2.695 -1.060 2.523 25423
44 1 8 "Average Difference" HA 31 0.304 0.058 0.304 25423
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25423
46 1 8 "Average Difference" CA 31 1.014 0.444 0.927 25423
47 1 8 "Average Difference" CB 31 1.109 0.079 1.124 25423
48 1 8 "Average Difference" HN 19 0.425 -0.061 0.432 25423
49 1 9 "Average Difference" N 28 2.575 -0.860 2.472 25423
50 1 9 "Average Difference" HA 31 0.245 0.071 0.238 25423
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25423
52 1 9 "Average Difference" CA 31 0.972 0.630 0.752 25423
53 1 9 "Average Difference" CB 31 1.068 0.300 1.042 25423
54 1 9 "Average Difference" HN 19 0.396 -0.059 0.403 25423
55 1 10 "Average Difference" N 28 2.710 -1.064 2.538 25423
56 1 10 "Average Difference" HA 31 0.281 0.068 0.278 25423
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25423
58 1 10 "Average Difference" CA 31 0.973 0.434 0.885 25423
59 1 10 "Average Difference" CB 31 1.130 0.228 1.125 25423
60 1 10 "Average Difference" HN 19 0.461 -0.086 0.465 25423
61 1 11 "Average Difference" N 28 2.196 -0.648 2.137 25423
62 1 11 "Average Difference" HA 31 0.241 0.030 0.243 25423
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25423
64 1 11 "Average Difference" CA 31 1.013 0.527 0.879 25423
65 1 11 "Average Difference" CB 31 1.133 0.108 1.146 25423
66 1 11 "Average Difference" HN 19 0.377 -0.090 0.376 25423
67 1 12 "Average Difference" N 28 2.470 -0.980 2.309 25423
68 1 12 "Average Difference" HA 31 0.240 0.075 0.232 25423
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25423
70 1 12 "Average Difference" CA 31 1.075 0.605 0.903 25423
71 1 12 "Average Difference" CB 31 1.076 0.220 1.071 25423
72 1 12 "Average Difference" HN 19 0.318 -0.147 0.290 25423
73 1 13 "Average Difference" N 28 2.429 -0.209 2.464 25423
74 1 13 "Average Difference" HA 31 0.366 0.080 0.363 25423
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25423
76 1 13 "Average Difference" CA 31 1.185 0.340 1.154 25423
77 1 13 "Average Difference" CB 31 1.136 0.046 1.154 25423
78 1 13 "Average Difference" HN 19 0.378 -0.085 0.379 25423
79 1 14 "Average Difference" N 28 2.295 -0.949 2.129 25423
80 1 14 "Average Difference" HA 31 0.214 0.011 0.217 25423
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25423
82 1 14 "Average Difference" CA 31 0.940 0.464 0.831 25423
83 1 14 "Average Difference" CB 31 1.188 0.127 1.201 25423
84 1 14 "Average Difference" HN 19 0.437 -0.054 0.445 25423
85 1 15 "Average Difference" N 28 2.474 -0.915 2.341 25423
86 1 15 "Average Difference" HA 31 0.229 0.073 0.221 25423
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25423
88 1 15 "Average Difference" CA 31 1.139 0.639 0.958 25423
89 1 15 "Average Difference" CB 31 1.059 0.155 1.065 25423
90 1 15 "Average Difference" HN 19 0.397 -0.057 0.404 25423
91 1 16 "Average Difference" N 28 2.429 -0.455 2.430 25423
92 1 16 "Average Difference" HA 31 0.234 0.103 0.213 25423
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25423
94 1 16 "Average Difference" CA 31 1.000 0.453 0.906 25423
95 1 16 "Average Difference" CB 31 1.092 0.279 1.074 25423
96 1 16 "Average Difference" HN 19 0.351 -0.141 0.330 25423
97 1 17 "Average Difference" N 28 2.644 -0.970 2.504 25423
98 1 17 "Average Difference" HA 31 0.275 0.035 0.277 25423
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25423
100 1 17 "Average Difference" CA 31 1.076 0.558 0.935 25423
101 1 17 "Average Difference" CB 31 1.177 0.366 1.137 25423
102 1 17 "Average Difference" HN 19 0.421 -0.103 0.420 25423
103 1 18 "Average Difference" N 28 2.308 -0.362 2.321 25423
104 1 18 "Average Difference" HA 31 0.246 0.062 0.242 25423
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25423
106 1 18 "Average Difference" CA 31 0.935 0.478 0.817 25423
107 1 18 "Average Difference" CB 31 1.100 0.104 1.113 25423
108 1 18 "Average Difference" HN 19 0.378 -0.110 0.372 25423
109 1 19 "Average Difference" N 28 2.284 -0.743 2.199 25423
110 1 19 "Average Difference" HA 31 0.250 0.073 0.243 25423
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25423
112 1 19 "Average Difference" CA 31 1.075 0.573 0.925 25423
113 1 19 "Average Difference" CB 31 1.038 0.272 1.018 25423
114 1 19 "Average Difference" HN 19 0.334 -0.094 0.329 25423
115 1 20 "Average Difference" N 28 2.464 -0.957 2.312 25423
116 1 20 "Average Difference" HA 31 0.270 0.011 0.275 25423
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25423
118 1 20 "Average Difference" CA 31 1.084 0.453 1.001 25423
119 1 20 "Average Difference" CB 31 1.143 0.211 1.142 25423
120 1 20 "Average Difference" HN 19 0.301 -0.062 0.303 25423
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 25423
_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 50 50 MET N N 50 120.051 120.051 120.554 -0.503 25423
2 1 . 1 1 50 50 MET HA H 50 4.354 4.354 4.516 -0.162 25423
3 1 . 1 1 50 50 MET CA C 50 55.149 55.149 55.850 -0.701 25423
4 1 . 1 1 50 50 MET CB C 50 32.514 32.514 33.182 -0.669 25423
5 1 . 1 1 50 50 MET H H 50 7.944 7.944 8.257 -0.313 25423
6 1 . 1 1 51 51 GLN N N 51 122.311 122.311 121.012 1.299 25423
7 1 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.505 0.009 25423
8 1 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.144 -1.841 25423
9 1 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.282 -0.500 25423
10 1 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.293 0.014 25423
11 1 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.244 -0.763 25423
12 1 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.796 0.054 25423
13 1 . 1 1 53 53 LEU N N 53 121.833 121.833 118.588 3.245 25423
14 1 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.147 0.004 25423
15 1 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.157 -0.225 25423
16 1 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.593 0.381 25423
17 1 . 1 1 54 54 CYS N N 54 115.819 115.819 113.562 2.257 25423
18 1 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.514 -0.119 25423
19 1 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.130 -0.948 25423
20 1 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.929 -0.060 25423
21 1 . 1 1 54 54 CYS H H 54 7.719 7.719 7.220 0.499 25423
22 1 . 1 1 55 55 PHE N N 55 119.044 119.044 118.955 0.089 25423
23 1 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.415 0.083 25423
24 1 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.707 -1.017 25423
25 1 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.515 -1.534 25423
26 1 . 1 1 55 55 PHE H H 55 8.790 8.790 8.858 -0.068 25423
27 1 . 1 1 56 56 ASN N N 56 119.254 119.254 120.183 -0.929 25423
28 1 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.098 0.237 25423
29 1 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.235 -0.988 25423
30 1 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.737 0.566 25423
31 1 . 1 1 57 57 CYS N N 57 127.439 127.439 124.693 2.746 25423
32 1 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.143 -0.238 25423
33 1 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.566 0.850 25423
34 1 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.011 1.776 25423
35 1 . 1 1 57 57 CYS H H 57 9.404 9.404 8.883 0.521 25423
36 1 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.481 0.093 25423
37 1 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.601 -0.805 25423
38 1 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.640 0.272 25423
39 1 . 1 1 59 59 ILE N N 59 122.515 122.515 119.281 3.234 25423
40 1 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.933 -0.014 25423
41 1 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.104 -1.020 25423
42 1 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.056 0.494 25423
43 1 . 1 1 60 60 CYS N N 60 119.620 119.620 114.739 4.881 25423
44 1 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.785 0.338 25423
45 1 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.351 -0.427 25423
46 1 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.009 1.847 25423
47 1 . 1 1 60 60 CYS H H 60 8.450 8.450 7.874 0.576 25423
48 1 . 1 1 61 61 ASP N N 61 119.453 119.453 119.413 0.040 25423
49 1 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.489 0.185 25423
50 1 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.191 0.707 25423
51 1 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.349 1.100 25423
52 1 . 1 1 61 61 ASP H H 61 8.069 8.069 8.494 -0.426 25423
53 1 . 1 1 62 62 LYS N N 62 122.865 122.865 119.705 3.160 25423
54 1 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.244 -0.243 25423
55 1 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.530 1.614 25423
56 1 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.255 0.616 25423
57 1 . 1 1 62 62 LYS H H 62 8.126 8.126 7.745 0.381 25423
58 1 . 1 1 63 63 ILE N N 63 123.398 123.398 121.478 1.920 25423
59 1 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.739 0.105 25423
60 1 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.964 -0.109 25423
61 1 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.825 -0.916 25423
62 1 . 1 1 64 64 PHE N N 64 124.921 124.921 121.972 2.949 25423
63 1 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.028 -0.163 25423
64 1 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.321 -1.052 25423
65 1 . 1 1 64 64 PHE CB C 64 41.393 41.393 41.539 -0.146 25423
66 1 . 1 1 64 64 PHE H H 64 9.054 9.054 8.800 0.254 25423
67 1 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.439 0.172 25423
68 1 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.687 -0.637 25423
69 1 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.179 0.446 25423
70 1 . 1 1 66 66 ALA N N 66 121.923 121.923 124.067 -2.144 25423
71 1 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.782 -0.003 25423
72 1 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.053 -1.191 25423
73 1 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.662 -0.518 25423
74 1 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423
75 1 . 1 1 67 67 THR N N 67 104.076 104.076 109.291 -5.215 25423
76 1 . 1 1 67 67 THR HA H 67 4.232 4.232 4.212 0.020 25423
77 1 . 1 1 67 67 THR CA C 67 61.824 61.824 63.944 -2.119 25423
78 1 . 1 1 67 67 THR CB C 67 68.103 68.103 68.517 -0.414 25423
79 1 . 1 1 68 68 GLU N N 68 122.788 122.788 121.399 1.389 25423
80 1 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.631 0.292 25423
81 1 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.395 -1.058 25423
82 1 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.192 -0.905 25423
83 1 . 1 1 68 68 GLU H H 68 7.879 7.879 8.088 -0.209 25423
84 1 . 1 1 69 69 LYS N N 69 121.136 121.136 120.256 0.880 25423
85 1 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.977 -0.543 25423
86 1 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.736 0.674 25423
87 1 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.979 0.321 25423
88 1 . 1 1 69 69 LYS H H 69 7.627 7.627 7.787 -0.160 25423
89 1 . 1 1 70 70 GLN N N 70 117.013 117.013 118.403 -1.390 25423
90 1 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.096 -0.178 25423
91 1 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.866 -0.203 25423
92 1 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.284 -0.531 25423
93 1 . 1 1 71 71 ILE N N 71 119.588 119.588 119.620 -0.032 25423
94 1 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.737 0.018 25423
95 1 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.970 -0.125 25423
96 1 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.464 0.173 25423
97 1 . 1 1 72 72 PHE N N 72 122.393 122.393 121.451 0.942 25423
98 1 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.385 -0.418 25423
99 1 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.622 -1.186 25423
100 1 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.821 -1.415 25423
101 1 . 1 1 72 72 PHE H H 72 8.043 8.043 8.277 -0.234 25423
102 1 . 1 1 73 73 GLU N N 73 119.350 119.350 118.599 0.751 25423
103 1 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.734 -0.499 25423
104 1 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.439 -0.063 25423
105 1 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.164 -0.695 25423
106 1 . 1 1 73 73 GLU H H 73 8.307 8.307 7.758 0.549 25423
107 1 . 1 1 74 74 ASP N N 74 120.085 120.085 119.995 0.090 25423
108 1 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.422 -0.054 25423
109 1 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.242 -0.353 25423
110 1 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.922 -0.711 25423
111 1 . 1 1 74 74 ASP H H 74 8.130 8.130 7.745 0.385 25423
112 1 . 1 1 75 75 HIS N N 75 120.712 120.712 120.099 0.613 25423
113 1 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.247 -0.259 25423
114 1 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.658 0.071 25423
115 1 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.095 -2.815 25423
116 1 . 1 1 75 75 HIS H H 75 8.037 8.037 8.156 -0.119 25423
117 1 . 1 1 76 76 VAL N N 76 119.276 119.276 118.923 0.353 25423
118 1 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.899 -0.461 25423
119 1 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.473 0.570 25423
120 1 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.233 0.415 25423
121 1 . 1 1 77 77 PHE N N 77 120.883 120.883 119.455 1.428 25423
122 1 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423
123 1 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.580 -1.042 25423
124 1 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.700 -0.084 25423
125 1 . 1 1 77 77 PHE H H 77 7.950 7.950 7.939 0.011 25423
126 1 . 1 1 78 78 CYS N N 78 116.956 116.956 117.298 -0.342 25423
127 1 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.974 -0.044 25423
128 1 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.232 -0.857 25423
129 1 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.324 -1.229 25423
130 1 . 1 1 78 78 CYS H H 78 8.017 8.017 7.711 0.306 25423
131 1 . 1 1 79 79 HIS N N 79 117.041 117.041 118.391 -1.350 25423
132 1 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.357 0.030 25423
133 1 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.708 -0.798 25423
134 1 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.259 -0.784 25423
135 1 . 1 1 79 79 HIS H H 79 7.229 7.229 7.646 -0.417 25423
136 1 . 1 1 80 80 SER N N 80 114.684 114.684 113.969 0.715 25423
137 1 . 1 1 80 80 SER HA H 80 4.343 4.343 4.292 0.051 25423
138 1 . 1 1 80 80 SER CA C 80 58.448 58.448 59.631 -1.182 25423
139 1 . 1 1 80 80 SER CB C 80 63.471 63.471 63.506 -0.034 25423
140 1 . 1 1 80 80 SER H H 80 7.902 7.902 7.688 0.214 25423
stop_
save_