data_19085
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19085
_Entry.PDB_ID 2M5X
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 19085
_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 2 2 ALA N N 2 126.951 126.951 124.615 2.336 19085
2 1 1 . 1 1 2 2 ALA HA H 2 4.301 4.301 5.220 -0.919 19085
3 1 1 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.288 0.118 19085
4 1 1 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.443 -0.233 19085
5 1 1 . 1 1 2 2 ALA H H 2 8.685 8.685 8.705 -0.020 19085
6 1 1 . 1 1 3 3 ALA N N 3 124.358 124.358 121.950 2.408 19085
7 1 1 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.329 -0.060 19085
8 1 1 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.924 0.254 19085
9 1 1 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.480 -0.135 19085
10 1 1 . 1 1 3 3 ALA H H 3 8.328 8.328 8.013 0.315 19085
11 1 1 . 1 1 4 4 VAL N N 4 119.842 119.842 113.943 5.899 19085
12 1 1 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.241 -0.292 19085
13 1 1 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.992 -0.822 19085
14 1 1 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.935 0.691 19085
15 1 1 . 1 1 4 4 VAL H H 4 8.107 8.107 8.086 0.021 19085
16 1 1 . 1 1 5 5 CYS N N 5 121.502 121.502 120.351 1.151 19085
17 1 1 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.414 0.219 19085
18 1 1 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.729 6.596 19085
19 1 1 . 1 1 5 5 CYS H H 5 7.666 7.666 7.732 -0.066 19085
20 1 1 . 1 1 6 6 THR N N 6 109.529 109.529 114.478 -4.949 19085
21 1 1 . 1 1 6 6 THR HA H 6 4.674 4.674 4.437 0.237 19085
22 1 1 . 1 1 6 6 THR H H 6 8.411 8.411 7.990 0.421 19085
23 1 1 . 1 1 7 7 THR N N 7 112.520 112.520 108.887 3.633 19085
24 1 1 . 1 1 7 7 THR HA H 7 4.729 4.729 4.545 0.184 19085
25 1 1 . 1 1 7 7 THR H H 7 8.362 8.362 8.135 0.227 19085
26 1 1 . 1 1 8 8 GLU N N 8 123.121 123.121 122.526 0.595 19085
27 1 1 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.350 -0.212 19085
28 1 1 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.213 1.086 19085
29 1 1 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.327 -1.294 19085
30 1 1 . 1 1 8 8 GLU H H 8 7.885 7.885 7.507 0.378 19085
31 1 1 . 1 1 9 9 TRP N N 9 126.973 126.973 129.121 -2.148 19085
32 1 1 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.710 0.228 19085
33 1 1 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.164 0.141 19085
34 1 1 . 1 1 9 9 TRP H H 9 8.799 8.799 8.645 0.154 19085
35 1 1 . 1 1 10 10 ASP N N 10 126.641 126.641 128.887 -2.246 19085
36 1 1 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.740 -0.084 19085
37 1 1 . 1 1 10 10 ASP CA C 10 50.047 50.047 51.141 -1.093 19085
38 1 1 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.729 -4.240 19085
39 1 1 . 1 1 10 10 ASP H H 10 8.790 8.790 8.219 0.571 19085
40 1 1 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.793 -0.739 19085
41 1 1 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.412 0.337 19085
42 1 1 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.983 1.206 19085
43 1 1 . 1 1 12 12 VAL N N 12 110.024 110.024 115.391 -5.367 19085
44 1 1 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.623 -0.176 19085
45 1 1 . 1 1 12 12 VAL H H 12 8.078 8.078 8.553 -0.475 19085
46 1 1 . 1 1 13 13 CYS N N 13 120.371 120.371 119.781 0.590 19085
47 1 1 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.609 -0.387 19085
48 1 1 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.958 -3.121 19085
49 1 1 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.527 7.856 19085
50 1 1 . 1 1 13 13 CYS H H 13 8.431 8.431 8.877 -0.446 19085
51 1 1 . 1 1 14 14 GLY N N 14 116.333 116.333 112.822 3.511 19085
52 1 1 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.347 1.394 19085
53 1 1 . 1 1 14 14 GLY H H 14 9.577 9.577 9.272 0.305 19085
54 1 1 . 1 1 15 15 LYS N N 15 122.042 122.042 119.650 2.392 19085
55 1 1 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.133 -0.129 19085
56 1 1 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.555 0.529 19085
57 1 1 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.478 -0.219 19085
58 1 1 . 1 1 15 15 LYS H H 15 8.838 8.838 8.382 0.456 19085
59 1 1 . 1 1 16 16 ASP N N 16 116.512 116.512 115.688 0.824 19085
60 1 1 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.663 -0.258 19085
61 1 1 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.648 0.176 19085
62 1 1 . 1 1 16 16 ASP H H 16 8.354 8.354 7.910 0.444 19085
63 1 1 . 1 1 17 17 GLY N N 17 108.685 108.685 108.632 0.053 19085
64 1 1 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.714 0.016 19085
65 1 1 . 1 1 17 17 GLY H H 17 8.215 8.215 7.866 0.349 19085
66 1 1 . 1 1 18 18 LYS N N 18 121.419 121.419 122.006 -0.587 19085
67 1 1 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.338 0.058 19085
68 1 1 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.890 -1.077 19085
69 1 1 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.066 0.559 19085
70 1 1 . 1 1 18 18 LYS H H 18 7.827 7.827 8.242 -0.415 19085
71 1 1 . 1 1 19 19 THR N N 19 121.800 121.800 119.312 2.488 19085
72 1 1 . 1 1 19 19 THR HA H 19 4.843 4.843 4.810 0.033 19085
73 1 1 . 1 1 19 19 THR CB C 19 69.515 69.515 69.173 0.342 19085
74 1 1 . 1 1 19 19 THR H H 19 8.344 8.344 8.356 -0.012 19085
75 1 1 . 1 1 20 20 TYR N N 20 127.910 127.910 126.866 1.044 19085
76 1 1 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.743 -0.235 19085
77 1 1 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.868 0.813 19085
78 1 1 . 1 1 20 20 TYR H H 20 9.355 9.355 9.198 0.157 19085
79 1 1 . 1 1 21 21 SER N N 21 116.849 116.849 119.071 -2.222 19085
80 1 1 . 1 1 21 21 SER HA H 21 3.804 3.804 4.031 -0.227 19085
81 1 1 . 1 1 21 21 SER CA C 21 61.968 61.968 61.900 0.068 19085
82 1 1 . 1 1 21 21 SER CB C 21 63.517 63.517 63.650 -0.133 19085
83 1 1 . 1 1 21 21 SER H H 21 9.035 9.035 9.123 -0.088 19085
84 1 1 . 1 1 22 22 ASN N N 22 105.634 105.634 115.917 -10.283 19085
85 1 1 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.069 -0.256 19085
86 1 1 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.232 -0.152 19085
87 1 1 . 1 1 22 22 ASN H H 22 7.344 7.344 7.836 -0.492 19085
88 1 1 . 1 1 23 23 LEU N N 23 118.802 118.802 120.535 -1.733 19085
89 1 1 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.097 -0.240 19085
90 1 1 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.645 -0.085 19085
91 1 1 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.975 0.888 19085
92 1 1 . 1 1 23 23 LEU H H 23 8.832 8.832 8.465 0.367 19085
93 1 1 . 1 1 24 24 CYS N N 24 119.567 119.567 119.287 0.280 19085
94 1 1 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.955 0.184 19085
95 1 1 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.511 -1.889 19085
96 1 1 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.308 9.985 19085
97 1 1 . 1 1 24 24 CYS H H 24 8.180 8.180 8.262 -0.082 19085
98 1 1 . 1 1 25 25 TRP N N 25 120.561 120.561 120.433 0.128 19085
99 1 1 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.361 -0.021 19085
100 1 1 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.157 1.168 19085
101 1 1 . 1 1 25 25 TRP H H 25 7.587 7.587 8.474 -0.887 19085
102 1 1 . 1 1 26 26 LEU N N 26 122.581 122.581 120.653 1.928 19085
103 1 1 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.771 0.164 19085
104 1 1 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.075 1.560 19085
105 1 1 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.076 0.289 19085
106 1 1 . 1 1 26 26 LEU H H 26 7.312 7.312 7.427 -0.115 19085
107 1 1 . 1 1 27 27 ASN N N 27 117.645 117.645 117.602 0.043 19085
108 1 1 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.274 0.137 19085
109 1 1 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.830 -1.186 19085
110 1 1 . 1 1 27 27 ASN H H 27 8.444 8.444 8.019 0.425 19085
111 1 1 . 1 1 28 28 GLU N N 28 121.101 121.101 119.131 1.970 19085
112 1 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.116 -0.099 19085
113 1 1 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.496 0.308 19085
114 1 1 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.255 -1.089 19085
115 1 1 . 1 1 28 28 GLU H H 28 8.365 8.365 8.376 -0.011 19085
116 1 1 . 1 1 29 29 ALA N N 29 120.397 120.397 119.278 1.119 19085
117 1 1 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.361 -0.026 19085
118 1 1 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.287 0.274 19085
119 1 1 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.152 -0.474 19085
120 1 1 . 1 1 29 29 ALA H H 29 7.530 7.530 7.668 -0.138 19085
121 1 1 . 1 1 30 30 GLY N N 30 106.021 106.021 106.370 -0.349 19085
122 1 1 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.342 0.769 19085
123 1 1 . 1 1 30 30 GLY H H 30 7.793 7.793 7.723 0.070 19085
124 1 1 . 1 1 31 31 VAL N N 31 116.550 116.550 120.383 -3.833 19085
125 1 1 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.148 -0.082 19085
126 1 1 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.324 -1.390 19085
127 1 1 . 1 1 31 31 VAL H H 31 6.611 6.611 7.176 -0.565 19085
128 1 1 . 1 1 32 32 GLY N N 32 110.423 110.423 112.921 -2.498 19085
129 1 1 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.246 0.326 19085
130 1 1 . 1 1 32 32 GLY H H 32 8.551 8.551 8.293 0.258 19085
131 1 1 . 1 1 33 33 LEU N N 33 124.291 124.291 121.738 2.553 19085
132 1 1 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.204 -0.255 19085
133 1 1 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.779 0.045 19085
134 1 1 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.688 -0.618 19085
135 1 1 . 1 1 33 33 LEU H H 33 8.613 8.613 8.110 0.503 19085
136 1 1 . 1 1 34 34 ASP N N 34 126.710 126.710 125.072 1.638 19085
137 1 1 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.731 0.058 19085
138 1 1 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.697 -1.633 19085
139 1 1 . 1 1 34 34 ASP H H 34 9.091 9.091 8.655 0.436 19085
140 1 1 . 1 1 35 35 HIS N N 35 106.163 106.163 118.419 -12.256 19085
141 1 1 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.923 -0.101 19085
142 1 1 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.328 -1.977 19085
143 1 1 . 1 1 35 35 HIS H H 35 7.302 7.302 8.188 -0.886 19085
144 1 1 . 1 1 36 36 GLU N N 36 120.636 120.636 119.968 0.668 19085
145 1 1 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.308 -0.099 19085
146 1 1 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.830 1.904 19085
147 1 1 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.259 -2.018 19085
148 1 1 . 1 1 36 36 GLU H H 36 9.309 9.309 8.712 0.597 19085
149 1 1 . 1 1 37 37 GLY N N 37 115.205 115.205 111.885 3.320 19085
150 1 1 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.457 0.093 19085
151 1 1 . 1 1 37 37 GLY H H 37 8.153 8.153 8.364 -0.211 19085
152 1 1 . 1 1 38 38 GLU N N 38 112.146 112.146 119.803 -7.657 19085
153 1 1 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.164 -0.265 19085
154 1 1 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.708 -0.487 19085
155 1 1 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.708 -1.195 19085
156 1 1 . 1 1 38 38 GLU H H 38 8.099 8.099 8.374 -0.275 19085
157 1 1 . 1 1 39 39 CYS N N 39 119.239 119.239 118.911 0.328 19085
158 1 1 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.731 -0.175 19085
159 1 1 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.915 7.410 19085
160 1 1 . 1 1 39 39 CYS H H 39 8.370 8.370 8.628 -0.258 19085
161 1 2 . 1 1 2 2 ALA N N 2 126.951 126.951 121.753 5.198 19085
162 1 2 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.782 -0.481 19085
163 1 2 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.751 0.655 19085
164 1 2 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.537 -0.327 19085
165 1 2 . 1 1 2 2 ALA H H 2 8.685 8.685 8.207 0.478 19085
166 1 2 . 1 1 3 3 ALA N N 3 124.358 124.358 121.276 3.082 19085
167 1 2 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.128 0.141 19085
168 1 2 . 1 1 3 3 ALA CA C 3 52.178 52.178 54.427 -2.249 19085
169 1 2 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.065 0.280 19085
170 1 2 . 1 1 3 3 ALA H H 3 8.328 8.328 8.587 -0.259 19085
171 1 2 . 1 1 4 4 VAL N N 4 119.842 119.842 109.915 9.927 19085
172 1 2 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.295 -0.346 19085
173 1 2 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.539 -0.370 19085
174 1 2 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.782 0.844 19085
175 1 2 . 1 1 4 4 VAL H H 4 8.107 8.107 7.813 0.294 19085
176 1 2 . 1 1 5 5 CYS N N 5 121.502 121.502 120.862 0.640 19085
177 1 2 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.531 0.102 19085
178 1 2 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.644 6.681 19085
179 1 2 . 1 1 5 5 CYS H H 5 7.666 7.666 7.636 0.030 19085
180 1 2 . 1 1 6 6 THR N N 6 109.529 109.529 114.199 -4.670 19085
181 1 2 . 1 1 6 6 THR HA H 6 4.674 4.674 4.527 0.147 19085
182 1 2 . 1 1 6 6 THR H H 6 8.411 8.411 7.974 0.437 19085
183 1 2 . 1 1 7 7 THR N N 7 112.520 112.520 109.474 3.046 19085
184 1 2 . 1 1 7 7 THR HA H 7 4.729 4.729 4.360 0.369 19085
185 1 2 . 1 1 7 7 THR H H 7 8.362 8.362 8.301 0.061 19085
186 1 2 . 1 1 8 8 GLU N N 8 123.121 123.121 121.876 1.245 19085
187 1 2 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.369 -0.231 19085
188 1 2 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.967 1.333 19085
189 1 2 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.127 -1.094 19085
190 1 2 . 1 1 8 8 GLU H H 8 7.885 7.885 7.900 -0.015 19085
191 1 2 . 1 1 9 9 TRP N N 9 126.973 126.973 128.119 -1.146 19085
192 1 2 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.660 0.278 19085
193 1 2 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.475 -0.170 19085
194 1 2 . 1 1 9 9 TRP H H 9 8.799 8.799 8.604 0.195 19085
195 1 2 . 1 1 10 10 ASP N N 10 126.641 126.641 128.701 -2.060 19085
196 1 2 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.682 -0.026 19085
197 1 2 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.504 -0.457 19085
198 1 2 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.613 -3.124 19085
199 1 2 . 1 1 10 10 ASP H H 10 8.790 8.790 7.715 1.075 19085
200 1 2 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.684 -0.630 19085
201 1 2 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.406 0.343 19085
202 1 2 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.186 1.003 19085
203 1 2 . 1 1 12 12 VAL N N 12 110.024 110.024 114.589 -4.565 19085
204 1 2 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.795 -0.348 19085
205 1 2 . 1 1 12 12 VAL H H 12 8.078 8.078 8.471 -0.393 19085
206 1 2 . 1 1 13 13 CYS N N 13 120.371 120.371 120.699 -0.328 19085
207 1 2 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.574 -0.352 19085
208 1 2 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.114 -3.277 19085
209 1 2 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.901 8.483 19085
210 1 2 . 1 1 13 13 CYS H H 13 8.431 8.431 8.905 -0.474 19085
211 1 2 . 1 1 14 14 GLY N N 14 116.333 116.333 113.821 2.512 19085
212 1 2 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.303 1.438 19085
213 1 2 . 1 1 14 14 GLY H H 14 9.577 9.577 9.201 0.376 19085
214 1 2 . 1 1 15 15 LYS N N 15 122.042 122.042 119.220 2.822 19085
215 1 2 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.055 -0.051 19085
216 1 2 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.630 0.454 19085
217 1 2 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.443 -0.184 19085
218 1 2 . 1 1 15 15 LYS H H 15 8.838 8.838 8.436 0.402 19085
219 1 2 . 1 1 16 16 ASP N N 16 116.512 116.512 117.187 -0.675 19085
220 1 2 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.666 -0.261 19085
221 1 2 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.564 -0.740 19085
222 1 2 . 1 1 16 16 ASP H H 16 8.354 8.354 8.004 0.350 19085
223 1 2 . 1 1 17 17 GLY N N 17 108.685 108.685 107.438 1.247 19085
224 1 2 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.920 -0.190 19085
225 1 2 . 1 1 17 17 GLY H H 17 8.215 8.215 7.847 0.368 19085
226 1 2 . 1 1 18 18 LYS N N 18 121.419 121.419 121.413 0.006 19085
227 1 2 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.329 0.067 19085
228 1 2 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.208 -0.395 19085
229 1 2 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.533 1.092 19085
230 1 2 . 1 1 18 18 LYS H H 18 7.827 7.827 7.999 -0.172 19085
231 1 2 . 1 1 19 19 THR N N 19 121.800 121.800 119.468 2.332 19085
232 1 2 . 1 1 19 19 THR HA H 19 4.843 4.843 4.888 -0.045 19085
233 1 2 . 1 1 19 19 THR CB C 19 69.515 69.515 69.253 0.262 19085
234 1 2 . 1 1 19 19 THR H H 19 8.344 8.344 8.411 -0.067 19085
235 1 2 . 1 1 20 20 TYR N N 20 127.910 127.910 126.189 1.721 19085
236 1 2 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.859 -0.351 19085
237 1 2 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.895 0.786 19085
238 1 2 . 1 1 20 20 TYR H H 20 9.355 9.355 9.214 0.141 19085
239 1 2 . 1 1 21 21 SER N N 21 116.849 116.849 118.483 -1.634 19085
240 1 2 . 1 1 21 21 SER HA H 21 3.804 3.804 4.028 -0.224 19085
241 1 2 . 1 1 21 21 SER CA C 21 61.968 61.968 60.868 1.099 19085
242 1 2 . 1 1 21 21 SER CB C 21 63.517 63.517 63.784 -0.267 19085
243 1 2 . 1 1 21 21 SER H H 21 9.035 9.035 8.984 0.051 19085
244 1 2 . 1 1 22 22 ASN N N 22 105.634 105.634 118.019 -12.385 19085
245 1 2 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.961 -0.148 19085
246 1 2 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.000 0.080 19085
247 1 2 . 1 1 22 22 ASN H H 22 7.344 7.344 7.997 -0.653 19085
248 1 2 . 1 1 23 23 LEU N N 23 118.802 118.802 122.050 -3.248 19085
249 1 2 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.219 -0.362 19085
250 1 2 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.005 0.555 19085
251 1 2 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.907 0.957 19085
252 1 2 . 1 1 23 23 LEU H H 23 8.832 8.832 8.632 0.200 19085
253 1 2 . 1 1 24 24 CYS N N 24 119.567 119.567 119.743 -0.176 19085
254 1 2 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.879 0.260 19085
255 1 2 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.201 -2.579 19085
256 1 2 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.281 10.012 19085
257 1 2 . 1 1 24 24 CYS H H 24 8.180 8.180 7.709 0.471 19085
258 1 2 . 1 1 25 25 TRP N N 25 120.561 120.561 120.388 0.173 19085
259 1 2 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.403 -0.063 19085
260 1 2 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.390 0.935 19085
261 1 2 . 1 1 25 25 TRP H H 25 7.587 7.587 7.093 0.494 19085
262 1 2 . 1 1 26 26 LEU N N 26 122.581 122.581 120.930 1.651 19085
263 1 2 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.982 -0.047 19085
264 1 2 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.370 1.265 19085
265 1 2 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.246 0.119 19085
266 1 2 . 1 1 26 26 LEU H H 26 7.312 7.312 7.487 -0.175 19085
267 1 2 . 1 1 27 27 ASN N N 27 117.645 117.645 117.386 0.259 19085
268 1 2 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.259 0.152 19085
269 1 2 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.782 -1.139 19085
270 1 2 . 1 1 27 27 ASN H H 27 8.444 8.444 8.311 0.133 19085
271 1 2 . 1 1 28 28 GLU N N 28 121.101 121.101 118.515 2.586 19085
272 1 2 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.174 -0.157 19085
273 1 2 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.109 0.695 19085
274 1 2 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.118 -0.952 19085
275 1 2 . 1 1 28 28 GLU H H 28 8.365 8.365 8.055 0.310 19085
276 1 2 . 1 1 29 29 ALA N N 29 120.397 120.397 119.626 0.771 19085
277 1 2 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.356 -0.021 19085
278 1 2 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.215 0.346 19085
279 1 2 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.860 -0.182 19085
280 1 2 . 1 1 29 29 ALA H H 29 7.530 7.530 7.580 -0.050 19085
281 1 2 . 1 1 30 30 GLY N N 30 106.021 106.021 107.764 -1.743 19085
282 1 2 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.418 0.693 19085
283 1 2 . 1 1 30 30 GLY H H 30 7.793 7.793 7.538 0.255 19085
284 1 2 . 1 1 31 31 VAL N N 31 116.550 116.550 121.054 -4.504 19085
285 1 2 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.051 0.015 19085
286 1 2 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.910 -1.976 19085
287 1 2 . 1 1 31 31 VAL H H 31 6.611 6.611 7.177 -0.566 19085
288 1 2 . 1 1 32 32 GLY N N 32 110.423 110.423 113.793 -3.370 19085
289 1 2 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.351 0.221 19085
290 1 2 . 1 1 32 32 GLY H H 32 8.551 8.551 8.321 0.230 19085
291 1 2 . 1 1 33 33 LEU N N 33 124.291 124.291 122.370 1.921 19085
292 1 2 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.162 -0.213 19085
293 1 2 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.082 -0.259 19085
294 1 2 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.315 -0.245 19085
295 1 2 . 1 1 33 33 LEU H H 33 8.613 8.613 8.275 0.338 19085
296 1 2 . 1 1 34 34 ASP N N 34 126.710 126.710 124.858 1.852 19085
297 1 2 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.690 0.099 19085
298 1 2 . 1 1 34 34 ASP CB C 34 42.065 42.065 42.996 -0.931 19085
299 1 2 . 1 1 34 34 ASP H H 34 9.091 9.091 8.553 0.538 19085
300 1 2 . 1 1 35 35 HIS N N 35 106.163 106.163 118.680 -12.517 19085
301 1 2 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.928 -0.106 19085
302 1 2 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.141 -1.790 19085
303 1 2 . 1 1 35 35 HIS H H 35 7.302 7.302 8.333 -1.031 19085
304 1 2 . 1 1 36 36 GLU N N 36 120.636 120.636 120.674 -0.038 19085
305 1 2 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.233 -0.024 19085
306 1 2 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.939 1.795 19085
307 1 2 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.425 -2.184 19085
308 1 2 . 1 1 36 36 GLU H H 36 9.309 9.309 8.747 0.562 19085
309 1 2 . 1 1 37 37 GLY N N 37 115.205 115.205 111.681 3.524 19085
310 1 2 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.372 0.178 19085
311 1 2 . 1 1 37 37 GLY H H 37 8.153 8.153 8.206 -0.053 19085
312 1 2 . 1 1 38 38 GLU N N 38 112.146 112.146 119.772 -7.626 19085
313 1 2 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.208 -0.309 19085
314 1 2 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.851 -0.630 19085
315 1 2 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.413 -0.900 19085
316 1 2 . 1 1 38 38 GLU H H 38 8.099 8.099 8.377 -0.278 19085
317 1 2 . 1 1 39 39 CYS N N 39 119.239 119.239 120.952 -1.713 19085
318 1 2 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.873 -0.317 19085
319 1 2 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.476 7.849 19085
320 1 2 . 1 1 39 39 CYS H H 39 8.370 8.370 8.567 -0.197 19085
321 1 3 . 1 1 2 2 ALA N N 2 126.951 126.951 125.379 1.572 19085
322 1 3 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.428 -0.127 19085
323 1 3 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.786 0.620 19085
324 1 3 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.579 -0.369 19085
325 1 3 . 1 1 2 2 ALA H H 2 8.685 8.685 8.308 0.377 19085
326 1 3 . 1 1 3 3 ALA N N 3 124.358 124.358 122.066 2.292 19085
327 1 3 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.294 -0.025 19085
328 1 3 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.071 0.107 19085
329 1 3 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.244 0.101 19085
330 1 3 . 1 1 3 3 ALA H H 3 8.328 8.328 8.218 0.110 19085
331 1 3 . 1 1 4 4 VAL N N 4 119.842 119.842 117.474 2.368 19085
332 1 3 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.285 -0.337 19085
333 1 3 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.801 0.369 19085
334 1 3 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.256 0.370 19085
335 1 3 . 1 1 4 4 VAL H H 4 8.107 8.107 8.100 0.008 19085
336 1 3 . 1 1 5 5 CYS N N 5 121.502 121.502 122.349 -0.847 19085
337 1 3 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.555 0.078 19085
338 1 3 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.641 7.684 19085
339 1 3 . 1 1 5 5 CYS H H 5 7.666 7.666 7.937 -0.271 19085
340 1 3 . 1 1 6 6 THR N N 6 109.529 109.529 118.114 -8.585 19085
341 1 3 . 1 1 6 6 THR HA H 6 4.674 4.674 4.598 0.076 19085
342 1 3 . 1 1 6 6 THR H H 6 8.411 8.411 8.132 0.279 19085
343 1 3 . 1 1 7 7 THR N N 7 112.520 112.520 109.514 3.006 19085
344 1 3 . 1 1 7 7 THR HA H 7 4.729 4.729 4.370 0.359 19085
345 1 3 . 1 1 7 7 THR H H 7 8.362 8.362 8.232 0.130 19085
346 1 3 . 1 1 8 8 GLU N N 8 123.121 123.121 121.247 1.874 19085
347 1 3 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.324 -0.186 19085
348 1 3 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.017 1.282 19085
349 1 3 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.239 -1.206 19085
350 1 3 . 1 1 8 8 GLU H H 8 7.885 7.885 7.903 -0.018 19085
351 1 3 . 1 1 9 9 TRP N N 9 126.973 126.973 127.618 -0.645 19085
352 1 3 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.450 0.488 19085
353 1 3 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.387 -0.082 19085
354 1 3 . 1 1 9 9 TRP H H 9 8.799 8.799 8.578 0.221 19085
355 1 3 . 1 1 10 10 ASP N N 10 126.641 126.641 128.799 -2.158 19085
356 1 3 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.722 -0.066 19085
357 1 3 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.657 -0.611 19085
358 1 3 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.930 -3.441 19085
359 1 3 . 1 1 10 10 ASP H H 10 8.790 8.790 7.951 0.839 19085
360 1 3 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.820 -0.766 19085
361 1 3 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.133 0.616 19085
362 1 3 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.765 1.424 19085
363 1 3 . 1 1 12 12 VAL N N 12 110.024 110.024 116.772 -6.748 19085
364 1 3 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.713 -0.266 19085
365 1 3 . 1 1 12 12 VAL H H 12 8.078 8.078 8.275 -0.197 19085
366 1 3 . 1 1 13 13 CYS N N 13 120.371 120.371 121.544 -1.173 19085
367 1 3 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.512 -0.290 19085
368 1 3 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.640 -2.803 19085
369 1 3 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.253 9.131 19085
370 1 3 . 1 1 13 13 CYS H H 13 8.431 8.431 8.862 -0.431 19085
371 1 3 . 1 1 14 14 GLY N N 14 116.333 116.333 114.169 2.164 19085
372 1 3 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.315 1.426 19085
373 1 3 . 1 1 14 14 GLY H H 14 9.577 9.577 9.447 0.130 19085
374 1 3 . 1 1 15 15 LYS N N 15 122.042 122.042 120.177 1.865 19085
375 1 3 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.099 -0.095 19085
376 1 3 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.697 0.387 19085
377 1 3 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.398 -0.139 19085
378 1 3 . 1 1 15 15 LYS H H 15 8.838 8.838 8.486 0.352 19085
379 1 3 . 1 1 16 16 ASP N N 16 116.512 116.512 117.800 -1.288 19085
380 1 3 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.649 -0.244 19085
381 1 3 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.722 -0.898 19085
382 1 3 . 1 1 16 16 ASP H H 16 8.354 8.354 8.009 0.345 19085
383 1 3 . 1 1 17 17 GLY N N 17 108.685 108.685 107.163 1.522 19085
384 1 3 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.756 -0.026 19085
385 1 3 . 1 1 17 17 GLY H H 17 8.215 8.215 7.945 0.270 19085
386 1 3 . 1 1 18 18 LYS N N 18 121.419 121.419 120.054 1.365 19085
387 1 3 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.546 -0.150 19085
388 1 3 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.998 0.815 19085
389 1 3 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.618 0.007 19085
390 1 3 . 1 1 18 18 LYS H H 18 7.827 7.827 7.669 0.158 19085
391 1 3 . 1 1 19 19 THR N N 19 121.800 121.800 119.352 2.448 19085
392 1 3 . 1 1 19 19 THR HA H 19 4.843 4.843 4.887 -0.044 19085
393 1 3 . 1 1 19 19 THR CB C 19 69.515 69.515 69.219 0.296 19085
394 1 3 . 1 1 19 19 THR H H 19 8.344 8.344 8.500 -0.156 19085
395 1 3 . 1 1 20 20 TYR N N 20 127.910 127.910 127.205 0.705 19085
396 1 3 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.810 -0.302 19085
397 1 3 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.805 0.876 19085
398 1 3 . 1 1 20 20 TYR H H 20 9.355 9.355 9.207 0.148 19085
399 1 3 . 1 1 21 21 SER N N 21 116.849 116.849 117.834 -0.985 19085
400 1 3 . 1 1 21 21 SER HA H 21 3.804 3.804 4.073 -0.269 19085
401 1 3 . 1 1 21 21 SER CA C 21 61.968 61.968 61.668 0.300 19085
402 1 3 . 1 1 21 21 SER CB C 21 63.517 63.517 63.571 -0.054 19085
403 1 3 . 1 1 21 21 SER H H 21 9.035 9.035 8.948 0.087 19085
404 1 3 . 1 1 22 22 ASN N N 22 105.634 105.634 115.620 -9.986 19085
405 1 3 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.876 -0.063 19085
406 1 3 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.214 0.866 19085
407 1 3 . 1 1 22 22 ASN H H 22 7.344 7.344 8.078 -0.734 19085
408 1 3 . 1 1 23 23 LEU N N 23 118.802 118.802 120.284 -1.482 19085
409 1 3 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.149 -0.292 19085
410 1 3 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.485 0.075 19085
411 1 3 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.970 0.894 19085
412 1 3 . 1 1 23 23 LEU H H 23 8.832 8.832 8.393 0.439 19085
413 1 3 . 1 1 24 24 CYS N N 24 119.567 119.567 117.703 1.864 19085
414 1 3 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.031 0.108 19085
415 1 3 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.740 -2.118 19085
416 1 3 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.345 9.948 19085
417 1 3 . 1 1 24 24 CYS H H 24 8.180 8.180 8.199 -0.019 19085
418 1 3 . 1 1 25 25 TRP N N 25 120.561 120.561 120.537 0.024 19085
419 1 3 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.374 -0.034 19085
420 1 3 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.422 0.902 19085
421 1 3 . 1 1 25 25 TRP H H 25 7.587 7.587 8.656 -1.069 19085
422 1 3 . 1 1 26 26 LEU N N 26 122.581 122.581 121.075 1.506 19085
423 1 3 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.786 0.149 19085
424 1 3 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.190 1.445 19085
425 1 3 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.052 0.313 19085
426 1 3 . 1 1 26 26 LEU H H 26 7.312 7.312 7.454 -0.142 19085
427 1 3 . 1 1 27 27 ASN N N 27 117.645 117.645 117.347 0.298 19085
428 1 3 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.323 0.088 19085
429 1 3 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.720 -1.076 19085
430 1 3 . 1 1 27 27 ASN H H 27 8.444 8.444 8.194 0.250 19085
431 1 3 . 1 1 28 28 GLU N N 28 121.101 121.101 120.550 0.551 19085
432 1 3 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.106 -0.089 19085
433 1 3 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.711 0.093 19085
434 1 3 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.250 -1.084 19085
435 1 3 . 1 1 28 28 GLU H H 28 8.365 8.365 8.382 -0.017 19085
436 1 3 . 1 1 29 29 ALA N N 29 120.397 120.397 119.136 1.261 19085
437 1 3 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.391 -0.056 19085
438 1 3 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.241 0.320 19085
439 1 3 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.205 -0.527 19085
440 1 3 . 1 1 29 29 ALA H H 29 7.530 7.530 7.763 -0.233 19085
441 1 3 . 1 1 30 30 GLY N N 30 106.021 106.021 106.620 -0.599 19085
442 1 3 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.438 0.673 19085
443 1 3 . 1 1 30 30 GLY H H 30 7.793 7.793 7.720 0.073 19085
444 1 3 . 1 1 31 31 VAL N N 31 116.550 116.550 120.121 -3.571 19085
445 1 3 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.169 -0.103 19085
446 1 3 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.102 -1.168 19085
447 1 3 . 1 1 31 31 VAL H H 31 6.611 6.611 7.167 -0.556 19085
448 1 3 . 1 1 32 32 GLY N N 32 110.423 110.423 112.389 -1.966 19085
449 1 3 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.096 0.475 19085
450 1 3 . 1 1 32 32 GLY H H 32 8.551 8.551 8.254 0.297 19085
451 1 3 . 1 1 33 33 LEU N N 33 124.291 124.291 121.966 2.325 19085
452 1 3 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.214 -0.265 19085
453 1 3 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.479 0.344 19085
454 1 3 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.738 -0.668 19085
455 1 3 . 1 1 33 33 LEU H H 33 8.613 8.613 8.171 0.442 19085
456 1 3 . 1 1 34 34 ASP N N 34 126.710 126.710 123.877 2.833 19085
457 1 3 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.612 0.177 19085
458 1 3 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.129 -1.063 19085
459 1 3 . 1 1 34 34 ASP H H 34 9.091 9.091 8.813 0.278 19085
460 1 3 . 1 1 35 35 HIS N N 35 106.163 106.163 118.207 -12.044 19085
461 1 3 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.912 -0.090 19085
462 1 3 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.149 -1.798 19085
463 1 3 . 1 1 35 35 HIS H H 35 7.302 7.302 7.934 -0.632 19085
464 1 3 . 1 1 36 36 GLU N N 36 120.636 120.636 120.591 0.045 19085
465 1 3 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.213 -0.004 19085
466 1 3 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.099 1.635 19085
467 1 3 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.220 -1.979 19085
468 1 3 . 1 1 36 36 GLU H H 36 9.309 9.309 8.752 0.557 19085
469 1 3 . 1 1 37 37 GLY N N 37 115.205 115.205 111.451 3.754 19085
470 1 3 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.349 0.201 19085
471 1 3 . 1 1 37 37 GLY H H 37 8.153 8.153 8.154 -0.001 19085
472 1 3 . 1 1 38 38 GLU N N 38 112.146 112.146 119.469 -7.323 19085
473 1 3 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.278 -0.379 19085
474 1 3 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.603 0.618 19085
475 1 3 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.638 -1.125 19085
476 1 3 . 1 1 38 38 GLU H H 38 8.099 8.099 8.385 -0.286 19085
477 1 3 . 1 1 39 39 CYS N N 39 119.239 119.239 117.554 1.685 19085
478 1 3 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.060 -0.504 19085
479 1 3 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.215 7.110 19085
480 1 3 . 1 1 39 39 CYS H H 39 8.370 8.370 9.006 -0.636 19085
481 1 4 . 1 1 2 2 ALA N N 2 126.951 126.951 123.436 3.515 19085
482 1 4 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.166 0.135 19085
483 1 4 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.526 -1.120 19085
484 1 4 . 1 1 2 2 ALA CB C 2 19.210 19.210 18.930 0.279 19085
485 1 4 . 1 1 2 2 ALA H H 2 8.685 8.685 8.349 0.336 19085
486 1 4 . 1 1 3 3 ALA N N 3 124.358 124.358 120.195 4.163 19085
487 1 4 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.283 -0.014 19085
488 1 4 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.772 0.407 19085
489 1 4 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.044 0.301 19085
490 1 4 . 1 1 3 3 ALA H H 3 8.328 8.328 7.642 0.686 19085
491 1 4 . 1 1 4 4 VAL N N 4 119.842 119.842 116.734 3.108 19085
492 1 4 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.273 -0.324 19085
493 1 4 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.224 -0.054 19085
494 1 4 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.978 -0.352 19085
495 1 4 . 1 1 4 4 VAL H H 4 8.107 8.107 8.568 -0.461 19085
496 1 4 . 1 1 5 5 CYS N N 5 121.502 121.502 120.132 1.370 19085
497 1 4 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.722 -0.089 19085
498 1 4 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.327 6.998 19085
499 1 4 . 1 1 5 5 CYS H H 5 7.666 7.666 7.776 -0.110 19085
500 1 4 . 1 1 6 6 THR N N 6 109.529 109.529 116.920 -7.391 19085
501 1 4 . 1 1 6 6 THR HA H 6 4.674 4.674 4.551 0.123 19085
502 1 4 . 1 1 6 6 THR H H 6 8.411 8.411 8.231 0.180 19085
503 1 4 . 1 1 7 7 THR N N 7 112.520 112.520 109.516 3.004 19085
504 1 4 . 1 1 7 7 THR HA H 7 4.729 4.729 4.294 0.435 19085
505 1 4 . 1 1 7 7 THR H H 7 8.362 8.362 8.303 0.059 19085
506 1 4 . 1 1 8 8 GLU N N 8 123.121 123.121 121.674 1.447 19085
507 1 4 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.363 -0.225 19085
508 1 4 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.997 1.302 19085
509 1 4 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.995 -0.962 19085
510 1 4 . 1 1 8 8 GLU H H 8 7.885 7.885 7.732 0.153 19085
511 1 4 . 1 1 9 9 TRP N N 9 126.973 126.973 129.179 -2.206 19085
512 1 4 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.794 0.144 19085
513 1 4 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.223 0.082 19085
514 1 4 . 1 1 9 9 TRP H H 9 8.799 8.799 8.678 0.121 19085
515 1 4 . 1 1 10 10 ASP N N 10 126.641 126.641 127.918 -1.277 19085
516 1 4 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.789 -0.133 19085
517 1 4 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.123 -0.076 19085
518 1 4 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.654 -4.165 19085
519 1 4 . 1 1 10 10 ASP H H 10 8.790 8.790 7.893 0.897 19085
520 1 4 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.644 -0.590 19085
521 1 4 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.500 0.249 19085
522 1 4 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.145 1.044 19085
523 1 4 . 1 1 12 12 VAL N N 12 110.024 110.024 116.019 -5.995 19085
524 1 4 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.738 -0.291 19085
525 1 4 . 1 1 12 12 VAL H H 12 8.078 8.078 8.443 -0.365 19085
526 1 4 . 1 1 13 13 CYS N N 13 120.371 120.371 120.600 -0.229 19085
527 1 4 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.365 -0.143 19085
528 1 4 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.829 -2.992 19085
529 1 4 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.477 8.908 19085
530 1 4 . 1 1 13 13 CYS H H 13 8.431 8.431 8.849 -0.418 19085
531 1 4 . 1 1 14 14 GLY N N 14 116.333 116.333 114.270 2.063 19085
532 1 4 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.224 1.517 19085
533 1 4 . 1 1 14 14 GLY H H 14 9.577 9.577 9.387 0.190 19085
534 1 4 . 1 1 15 15 LYS N N 15 122.042 122.042 121.417 0.625 19085
535 1 4 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.040 -0.036 19085
536 1 4 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.834 0.250 19085
537 1 4 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.445 -0.186 19085
538 1 4 . 1 1 15 15 LYS H H 15 8.838 8.838 8.703 0.135 19085
539 1 4 . 1 1 16 16 ASP N N 16 116.512 116.512 117.259 -0.747 19085
540 1 4 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.708 -0.303 19085
541 1 4 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.186 -0.362 19085
542 1 4 . 1 1 16 16 ASP H H 16 8.354 8.354 8.067 0.287 19085
543 1 4 . 1 1 17 17 GLY N N 17 108.685 108.685 107.417 1.268 19085
544 1 4 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.532 0.198 19085
545 1 4 . 1 1 17 17 GLY H H 17 8.215 8.215 8.103 0.112 19085
546 1 4 . 1 1 18 18 LYS N N 18 121.419 121.419 120.525 0.894 19085
547 1 4 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.637 -0.241 19085
548 1 4 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.856 0.957 19085
549 1 4 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.421 -0.796 19085
550 1 4 . 1 1 18 18 LYS H H 18 7.827 7.827 7.541 0.286 19085
551 1 4 . 1 1 19 19 THR N N 19 121.800 121.800 119.450 2.350 19085
552 1 4 . 1 1 19 19 THR HA H 19 4.843 4.843 4.839 0.004 19085
553 1 4 . 1 1 19 19 THR CB C 19 69.515 69.515 69.175 0.340 19085
554 1 4 . 1 1 19 19 THR H H 19 8.344 8.344 8.484 -0.140 19085
555 1 4 . 1 1 20 20 TYR N N 20 127.910 127.910 126.240 1.670 19085
556 1 4 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.831 -0.323 19085
557 1 4 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.927 0.754 19085
558 1 4 . 1 1 20 20 TYR H H 20 9.355 9.355 9.181 0.174 19085
559 1 4 . 1 1 21 21 SER N N 21 116.849 116.849 118.021 -1.172 19085
560 1 4 . 1 1 21 21 SER HA H 21 3.804 3.804 4.037 -0.233 19085
561 1 4 . 1 1 21 21 SER CA C 21 61.968 61.968 60.855 1.113 19085
562 1 4 . 1 1 21 21 SER CB C 21 63.517 63.517 63.536 -0.020 19085
563 1 4 . 1 1 21 21 SER H H 21 9.035 9.035 8.892 0.143 19085
564 1 4 . 1 1 22 22 ASN N N 22 105.634 105.634 118.247 -12.613 19085
565 1 4 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.988 -0.175 19085
566 1 4 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.069 0.011 19085
567 1 4 . 1 1 22 22 ASN H H 22 7.344 7.344 8.137 -0.793 19085
568 1 4 . 1 1 23 23 LEU N N 23 118.802 118.802 122.160 -3.358 19085
569 1 4 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.240 -0.383 19085
570 1 4 . 1 1 23 23 LEU CA C 23 57.560 57.560 56.922 0.638 19085
571 1 4 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.842 1.022 19085
572 1 4 . 1 1 23 23 LEU H H 23 8.832 8.832 8.319 0.513 19085
573 1 4 . 1 1 24 24 CYS N N 24 119.567 119.567 119.518 0.049 19085
574 1 4 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.161 -0.022 19085
575 1 4 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.055 -2.433 19085
576 1 4 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.289 10.004 19085
577 1 4 . 1 1 24 24 CYS H H 24 8.180 8.180 7.729 0.451 19085
578 1 4 . 1 1 25 25 TRP N N 25 120.561 120.561 119.892 0.669 19085
579 1 4 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.417 -0.077 19085
580 1 4 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.416 0.909 19085
581 1 4 . 1 1 25 25 TRP H H 25 7.587 7.587 7.221 0.366 19085
582 1 4 . 1 1 26 26 LEU N N 26 122.581 122.581 121.256 1.325 19085
583 1 4 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.929 0.006 19085
584 1 4 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.359 1.276 19085
585 1 4 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.119 0.246 19085
586 1 4 . 1 1 26 26 LEU H H 26 7.312 7.312 7.362 -0.050 19085
587 1 4 . 1 1 27 27 ASN N N 27 117.645 117.645 117.441 0.204 19085
588 1 4 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.417 -0.006 19085
589 1 4 . 1 1 27 27 ASN CB C 27 37.644 37.644 37.982 -0.338 19085
590 1 4 . 1 1 27 27 ASN H H 27 8.444 8.444 8.257 0.187 19085
591 1 4 . 1 1 28 28 GLU N N 28 121.101 121.101 120.275 0.826 19085
592 1 4 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.166 -0.149 19085
593 1 4 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.569 0.235 19085
594 1 4 . 1 1 28 28 GLU CB C 28 28.166 28.166 28.973 -0.807 19085
595 1 4 . 1 1 28 28 GLU H H 28 8.365 8.365 8.389 -0.024 19085
596 1 4 . 1 1 29 29 ALA N N 29 120.397 120.397 119.471 0.926 19085
597 1 4 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.376 -0.041 19085
598 1 4 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.112 0.449 19085
599 1 4 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.081 -0.403 19085
600 1 4 . 1 1 29 29 ALA H H 29 7.530 7.530 7.576 -0.046 19085
601 1 4 . 1 1 30 30 GLY N N 30 106.021 106.021 107.027 -1.006 19085
602 1 4 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.289 0.822 19085
603 1 4 . 1 1 30 30 GLY H H 30 7.793 7.793 7.628 0.165 19085
604 1 4 . 1 1 31 31 VAL N N 31 116.550 116.550 119.534 -2.984 19085
605 1 4 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.188 -0.122 19085
606 1 4 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.417 -0.483 19085
607 1 4 . 1 1 31 31 VAL H H 31 6.611 6.611 7.198 -0.587 19085
608 1 4 . 1 1 32 32 GLY N N 32 110.423 110.423 112.423 -2.000 19085
609 1 4 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.162 0.410 19085
610 1 4 . 1 1 32 32 GLY H H 32 8.551 8.551 8.327 0.224 19085
611 1 4 . 1 1 33 33 LEU N N 33 124.291 124.291 122.501 1.790 19085
612 1 4 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.200 -0.251 19085
613 1 4 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.524 0.299 19085
614 1 4 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.773 -0.703 19085
615 1 4 . 1 1 33 33 LEU H H 33 8.613 8.613 8.185 0.428 19085
616 1 4 . 1 1 34 34 ASP N N 34 126.710 126.710 123.578 3.132 19085
617 1 4 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.729 0.060 19085
618 1 4 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.501 -1.436 19085
619 1 4 . 1 1 34 34 ASP H H 34 9.091 9.091 8.832 0.259 19085
620 1 4 . 1 1 35 35 HIS N N 35 106.163 106.163 118.245 -12.082 19085
621 1 4 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.866 -0.044 19085
622 1 4 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.604 -2.253 19085
623 1 4 . 1 1 35 35 HIS H H 35 7.302 7.302 7.911 -0.609 19085
624 1 4 . 1 1 36 36 GLU N N 36 120.636 120.636 120.972 -0.336 19085
625 1 4 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.156 0.053 19085
626 1 4 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.199 1.535 19085
627 1 4 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.064 -1.823 19085
628 1 4 . 1 1 36 36 GLU H H 36 9.309 9.309 8.734 0.575 19085
629 1 4 . 1 1 37 37 GLY N N 37 115.205 115.205 111.690 3.515 19085
630 1 4 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.357 0.193 19085
631 1 4 . 1 1 37 37 GLY H H 37 8.153 8.153 8.302 -0.149 19085
632 1 4 . 1 1 38 38 GLU N N 38 112.146 112.146 119.522 -7.376 19085
633 1 4 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.196 -0.297 19085
634 1 4 . 1 1 38 38 GLU CA C 38 56.221 56.221 57.156 -0.935 19085
635 1 4 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.591 -1.079 19085
636 1 4 . 1 1 38 38 GLU H H 38 8.099 8.099 8.471 -0.372 19085
637 1 4 . 1 1 39 39 CYS N N 39 119.239 119.239 119.705 -0.466 19085
638 1 4 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.948 -0.392 19085
639 1 4 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.853 7.472 19085
640 1 4 . 1 1 39 39 CYS H H 39 8.370 8.370 8.654 -0.284 19085
641 1 5 . 1 1 2 2 ALA N N 2 126.951 126.951 127.067 -0.116 19085
642 1 5 . 1 1 2 2 ALA HA H 2 4.301 4.301 3.970 0.331 19085
643 1 5 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.209 -0.803 19085
644 1 5 . 1 1 2 2 ALA CB C 2 19.210 19.210 17.988 1.222 19085
645 1 5 . 1 1 2 2 ALA H H 2 8.685 8.685 8.210 0.475 19085
646 1 5 . 1 1 3 3 ALA N N 3 124.358 124.358 121.957 2.401 19085
647 1 5 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.226 0.043 19085
648 1 5 . 1 1 3 3 ALA CA C 3 52.178 52.178 53.727 -1.549 19085
649 1 5 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.346 -0.001 19085
650 1 5 . 1 1 3 3 ALA H H 3 8.328 8.328 8.613 -0.285 19085
651 1 5 . 1 1 4 4 VAL N N 4 119.842 119.842 109.646 10.196 19085
652 1 5 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.480 -0.531 19085
653 1 5 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.482 -0.312 19085
654 1 5 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.841 -0.215 19085
655 1 5 . 1 1 4 4 VAL H H 4 8.107 8.107 7.834 0.273 19085
656 1 5 . 1 1 5 5 CYS N N 5 121.502 121.502 122.501 -0.999 19085
657 1 5 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.647 -0.014 19085
658 1 5 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.329 6.996 19085
659 1 5 . 1 1 5 5 CYS H H 5 7.666 7.666 7.824 -0.158 19085
660 1 5 . 1 1 6 6 THR N N 6 109.529 109.529 115.892 -6.363 19085
661 1 5 . 1 1 6 6 THR HA H 6 4.674 4.674 4.590 0.084 19085
662 1 5 . 1 1 6 6 THR H H 6 8.411 8.411 8.278 0.133 19085
663 1 5 . 1 1 7 7 THR N N 7 112.520 112.520 112.017 0.503 19085
664 1 5 . 1 1 7 7 THR HA H 7 4.729 4.729 4.407 0.322 19085
665 1 5 . 1 1 7 7 THR H H 7 8.362 8.362 8.367 -0.005 19085
666 1 5 . 1 1 8 8 GLU N N 8 123.121 123.121 122.516 0.605 19085
667 1 5 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.389 -0.251 19085
668 1 5 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.725 1.574 19085
669 1 5 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.366 -1.333 19085
670 1 5 . 1 1 8 8 GLU H H 8 7.885 7.885 7.846 0.039 19085
671 1 5 . 1 1 9 9 TRP N N 9 126.973 126.973 128.161 -1.188 19085
672 1 5 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.487 0.452 19085
673 1 5 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.409 -0.104 19085
674 1 5 . 1 1 9 9 TRP H H 9 8.799 8.799 8.521 0.278 19085
675 1 5 . 1 1 10 10 ASP N N 10 126.641 126.641 128.762 -2.121 19085
676 1 5 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.838 -0.182 19085
677 1 5 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.220 -0.173 19085
678 1 5 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.940 -4.451 19085
679 1 5 . 1 1 10 10 ASP H H 10 8.790 8.790 7.935 0.855 19085
680 1 5 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.605 -0.551 19085
681 1 5 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.325 0.424 19085
682 1 5 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.717 1.472 19085
683 1 5 . 1 1 12 12 VAL N N 12 110.024 110.024 115.303 -5.279 19085
684 1 5 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.758 -0.311 19085
685 1 5 . 1 1 12 12 VAL H H 12 8.078 8.078 8.538 -0.460 19085
686 1 5 . 1 1 13 13 CYS N N 13 120.371 120.371 120.834 -0.463 19085
687 1 5 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.384 -0.162 19085
688 1 5 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.102 -3.265 19085
689 1 5 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.450 8.934 19085
690 1 5 . 1 1 13 13 CYS H H 13 8.431 8.431 8.783 -0.352 19085
691 1 5 . 1 1 14 14 GLY N N 14 116.333 116.333 113.933 2.400 19085
692 1 5 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.161 1.580 19085
693 1 5 . 1 1 14 14 GLY H H 14 9.577 9.577 9.235 0.342 19085
694 1 5 . 1 1 15 15 LYS N N 15 122.042 122.042 119.405 2.637 19085
695 1 5 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.226 -0.222 19085
696 1 5 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.427 0.657 19085
697 1 5 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.510 -0.251 19085
698 1 5 . 1 1 15 15 LYS H H 15 8.838 8.838 8.564 0.274 19085
699 1 5 . 1 1 16 16 ASP N N 16 116.512 116.512 116.053 0.459 19085
700 1 5 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.753 -0.348 19085
701 1 5 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.830 -0.006 19085
702 1 5 . 1 1 16 16 ASP H H 16 8.354 8.354 8.046 0.308 19085
703 1 5 . 1 1 17 17 GLY N N 17 108.685 108.685 108.249 0.436 19085
704 1 5 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.718 0.012 19085
705 1 5 . 1 1 17 17 GLY H H 17 8.215 8.215 7.946 0.269 19085
706 1 5 . 1 1 18 18 LYS N N 18 121.419 121.419 121.391 0.028 19085
707 1 5 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.232 0.164 19085
708 1 5 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.033 -0.220 19085
709 1 5 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.348 1.277 19085
710 1 5 . 1 1 18 18 LYS H H 18 7.827 7.827 7.971 -0.144 19085
711 1 5 . 1 1 19 19 THR N N 19 121.800 121.800 119.993 1.807 19085
712 1 5 . 1 1 19 19 THR HA H 19 4.843 4.843 4.838 0.005 19085
713 1 5 . 1 1 19 19 THR CB C 19 69.515 69.515 69.375 0.140 19085
714 1 5 . 1 1 19 19 THR H H 19 8.344 8.344 8.420 -0.076 19085
715 1 5 . 1 1 20 20 TYR N N 20 127.910 127.910 127.460 0.450 19085
716 1 5 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.793 -0.285 19085
717 1 5 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.590 1.091 19085
718 1 5 . 1 1 20 20 TYR H H 20 9.355 9.355 9.020 0.335 19085
719 1 5 . 1 1 21 21 SER N N 21 116.849 116.849 119.687 -2.838 19085
720 1 5 . 1 1 21 21 SER HA H 21 3.804 3.804 4.038 -0.234 19085
721 1 5 . 1 1 21 21 SER CA C 21 61.968 61.968 61.477 0.491 19085
722 1 5 . 1 1 21 21 SER CB C 21 63.517 63.517 63.811 -0.294 19085
723 1 5 . 1 1 21 21 SER H H 21 9.035 9.035 9.045 -0.010 19085
724 1 5 . 1 1 22 22 ASN N N 22 105.634 105.634 114.648 -9.014 19085
725 1 5 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.859 -0.046 19085
726 1 5 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.148 -0.068 19085
727 1 5 . 1 1 22 22 ASN H H 22 7.344 7.344 7.883 -0.539 19085
728 1 5 . 1 1 23 23 LEU N N 23 118.802 118.802 120.052 -1.250 19085
729 1 5 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.226 -0.369 19085
730 1 5 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.052 0.508 19085
731 1 5 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.918 0.946 19085
732 1 5 . 1 1 23 23 LEU H H 23 8.832 8.832 8.436 0.396 19085
733 1 5 . 1 1 24 24 CYS N N 24 119.567 119.567 120.786 -1.219 19085
734 1 5 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.953 0.186 19085
735 1 5 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.149 -2.527 19085
736 1 5 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.402 9.891 19085
737 1 5 . 1 1 24 24 CYS H H 24 8.180 8.180 8.118 0.062 19085
738 1 5 . 1 1 25 25 TRP N N 25 120.561 120.561 120.580 -0.019 19085
739 1 5 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.602 -0.262 19085
740 1 5 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.244 1.081 19085
741 1 5 . 1 1 25 25 TRP H H 25 7.587 7.587 8.931 -1.344 19085
742 1 5 . 1 1 26 26 LEU N N 26 122.581 122.581 120.624 1.957 19085
743 1 5 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.872 0.063 19085
744 1 5 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.659 0.976 19085
745 1 5 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.157 0.208 19085
746 1 5 . 1 1 26 26 LEU H H 26 7.312 7.312 7.495 -0.183 19085
747 1 5 . 1 1 27 27 ASN N N 27 117.645 117.645 117.325 0.320 19085
748 1 5 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.276 0.135 19085
749 1 5 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.873 -1.230 19085
750 1 5 . 1 1 27 27 ASN H H 27 8.444 8.444 8.201 0.243 19085
751 1 5 . 1 1 28 28 GLU N N 28 121.101 121.101 119.417 1.684 19085
752 1 5 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.033 -0.016 19085
753 1 5 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.473 0.331 19085
754 1 5 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.665 -1.499 19085
755 1 5 . 1 1 28 28 GLU H H 28 8.365 8.365 8.238 0.127 19085
756 1 5 . 1 1 29 29 ALA N N 29 120.397 120.397 118.810 1.587 19085
757 1 5 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.361 -0.026 19085
758 1 5 . 1 1 29 29 ALA CA C 29 52.561 52.561 51.951 0.610 19085
759 1 5 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.855 -0.177 19085
760 1 5 . 1 1 29 29 ALA H H 29 7.530 7.530 7.610 -0.080 19085
761 1 5 . 1 1 30 30 GLY N N 30 106.021 106.021 107.856 -1.835 19085
762 1 5 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.338 0.773 19085
763 1 5 . 1 1 30 30 GLY H H 30 7.793 7.793 7.564 0.229 19085
764 1 5 . 1 1 31 31 VAL N N 31 116.550 116.550 119.736 -3.186 19085
765 1 5 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.235 -0.169 19085
766 1 5 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.388 -0.454 19085
767 1 5 . 1 1 31 31 VAL H H 31 6.611 6.611 7.259 -0.648 19085
768 1 5 . 1 1 32 32 GLY N N 32 110.423 110.423 112.883 -2.460 19085
769 1 5 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.375 0.197 19085
770 1 5 . 1 1 32 32 GLY H H 32 8.551 8.551 8.388 0.163 19085
771 1 5 . 1 1 33 33 LEU N N 33 124.291 124.291 122.618 1.673 19085
772 1 5 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.153 -0.204 19085
773 1 5 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.888 -0.065 19085
774 1 5 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.631 -0.561 19085
775 1 5 . 1 1 33 33 LEU H H 33 8.613 8.613 8.317 0.296 19085
776 1 5 . 1 1 34 34 ASP N N 34 126.710 126.710 124.023 2.687 19085
777 1 5 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.744 0.045 19085
778 1 5 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.659 -1.594 19085
779 1 5 . 1 1 34 34 ASP H H 34 9.091 9.091 8.424 0.667 19085
780 1 5 . 1 1 35 35 HIS N N 35 106.163 106.163 118.239 -12.076 19085
781 1 5 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.836 -0.014 19085
782 1 5 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.681 -1.330 19085
783 1 5 . 1 1 35 35 HIS H H 35 7.302 7.302 7.882 -0.580 19085
784 1 5 . 1 1 36 36 GLU N N 36 120.636 120.636 121.583 -0.947 19085
785 1 5 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.099 0.110 19085
786 1 5 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.407 1.327 19085
787 1 5 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.342 -1.101 19085
788 1 5 . 1 1 36 36 GLU H H 36 9.309 9.309 8.760 0.549 19085
789 1 5 . 1 1 37 37 GLY N N 37 115.205 115.205 111.531 3.674 19085
790 1 5 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.450 0.100 19085
791 1 5 . 1 1 37 37 GLY H H 37 8.153 8.153 8.330 -0.177 19085
792 1 5 . 1 1 38 38 GLU N N 38 112.146 112.146 119.717 -7.571 19085
793 1 5 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.271 -0.372 19085
794 1 5 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.371 0.850 19085
795 1 5 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.824 -1.311 19085
796 1 5 . 1 1 38 38 GLU H H 38 8.099 8.099 8.397 -0.298 19085
797 1 5 . 1 1 39 39 CYS N N 39 119.239 119.239 119.843 -0.604 19085
798 1 5 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.888 -0.332 19085
799 1 5 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.379 7.946 19085
800 1 5 . 1 1 39 39 CYS H H 39 8.370 8.370 8.635 -0.265 19085
801 1 6 . 1 1 2 2 ALA N N 2 126.951 126.951 124.739 2.212 19085
802 1 6 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.260 0.041 19085
803 1 6 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.225 0.181 19085
804 1 6 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.164 0.046 19085
805 1 6 . 1 1 2 2 ALA H H 2 8.685 8.685 8.112 0.573 19085
806 1 6 . 1 1 3 3 ALA N N 3 124.358 124.358 127.005 -2.647 19085
807 1 6 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.335 -0.066 19085
808 1 6 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.212 -0.035 19085
809 1 6 . 1 1 3 3 ALA CB C 3 19.345 19.345 17.561 1.784 19085
810 1 6 . 1 1 3 3 ALA H H 3 8.328 8.328 8.436 -0.108 19085
811 1 6 . 1 1 4 4 VAL N N 4 119.842 119.842 113.325 6.517 19085
812 1 6 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.375 -0.426 19085
813 1 6 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.472 0.698 19085
814 1 6 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.811 0.815 19085
815 1 6 . 1 1 4 4 VAL H H 4 8.107 8.107 7.574 0.533 19085
816 1 6 . 1 1 5 5 CYS N N 5 121.502 121.502 120.991 0.511 19085
817 1 6 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.498 0.135 19085
818 1 6 . 1 1 5 5 CYS CB C 5 35.325 35.325 26.701 8.624 19085
819 1 6 . 1 1 5 5 CYS H H 5 7.666 7.666 7.829 -0.163 19085
820 1 6 . 1 1 6 6 THR N N 6 109.529 109.529 120.254 -10.725 19085
821 1 6 . 1 1 6 6 THR HA H 6 4.674 4.674 4.397 0.277 19085
822 1 6 . 1 1 6 6 THR H H 6 8.411 8.411 8.171 0.240 19085
823 1 6 . 1 1 7 7 THR N N 7 112.520 112.520 110.688 1.832 19085
824 1 6 . 1 1 7 7 THR HA H 7 4.729 4.729 4.447 0.282 19085
825 1 6 . 1 1 7 7 THR H H 7 8.362 8.362 8.271 0.091 19085
826 1 6 . 1 1 8 8 GLU N N 8 123.121 123.121 121.715 1.406 19085
827 1 6 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.313 -0.175 19085
828 1 6 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.639 0.660 19085
829 1 6 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.041 -1.008 19085
830 1 6 . 1 1 8 8 GLU H H 8 7.885 7.885 7.658 0.227 19085
831 1 6 . 1 1 9 9 TRP N N 9 126.973 126.973 127.587 -0.614 19085
832 1 6 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.498 0.440 19085
833 1 6 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.328 -0.023 19085
834 1 6 . 1 1 9 9 TRP H H 9 8.799 8.799 8.465 0.334 19085
835 1 6 . 1 1 10 10 ASP N N 10 126.641 126.641 128.563 -1.922 19085
836 1 6 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.751 -0.095 19085
837 1 6 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.711 -0.664 19085
838 1 6 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.085 -3.596 19085
839 1 6 . 1 1 10 10 ASP H H 10 8.790 8.790 8.092 0.698 19085
840 1 6 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.845 -0.791 19085
841 1 6 . 1 1 11 11 PRO CA C 11 62.749 62.749 61.996 0.753 19085
842 1 6 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.020 1.169 19085
843 1 6 . 1 1 12 12 VAL N N 12 110.024 110.024 114.391 -4.367 19085
844 1 6 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.819 -0.372 19085
845 1 6 . 1 1 12 12 VAL H H 12 8.078 8.078 8.275 -0.197 19085
846 1 6 . 1 1 13 13 CYS N N 13 120.371 120.371 120.625 -0.254 19085
847 1 6 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.610 -0.388 19085
848 1 6 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.035 -3.198 19085
849 1 6 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.893 8.491 19085
850 1 6 . 1 1 13 13 CYS H H 13 8.431 8.431 8.886 -0.455 19085
851 1 6 . 1 1 14 14 GLY N N 14 116.333 116.333 113.605 2.728 19085
852 1 6 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.301 1.440 19085
853 1 6 . 1 1 14 14 GLY H H 14 9.577 9.577 9.225 0.352 19085
854 1 6 . 1 1 15 15 LYS N N 15 122.042 122.042 119.575 2.467 19085
855 1 6 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.050 -0.046 19085
856 1 6 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.677 0.407 19085
857 1 6 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.437 -0.178 19085
858 1 6 . 1 1 15 15 LYS H H 15 8.838 8.838 8.504 0.334 19085
859 1 6 . 1 1 16 16 ASP N N 16 116.512 116.512 117.524 -1.012 19085
860 1 6 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.644 -0.239 19085
861 1 6 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.701 -0.877 19085
862 1 6 . 1 1 16 16 ASP H H 16 8.354 8.354 8.033 0.321 19085
863 1 6 . 1 1 17 17 GLY N N 17 108.685 108.685 107.336 1.349 19085
864 1 6 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.890 -0.160 19085
865 1 6 . 1 1 17 17 GLY H H 17 8.215 8.215 7.894 0.321 19085
866 1 6 . 1 1 18 18 LYS N N 18 121.419 121.419 119.626 1.793 19085
867 1 6 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.570 -0.174 19085
868 1 6 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.385 0.428 19085
869 1 6 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.561 0.064 19085
870 1 6 . 1 1 18 18 LYS H H 18 7.827 7.827 8.088 -0.261 19085
871 1 6 . 1 1 19 19 THR N N 19 121.800 121.800 119.447 2.353 19085
872 1 6 . 1 1 19 19 THR HA H 19 4.843 4.843 4.938 -0.095 19085
873 1 6 . 1 1 19 19 THR CB C 19 69.515 69.515 69.294 0.221 19085
874 1 6 . 1 1 19 19 THR H H 19 8.344 8.344 8.505 -0.161 19085
875 1 6 . 1 1 20 20 TYR N N 20 127.910 127.910 126.402 1.508 19085
876 1 6 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.854 -0.346 19085
877 1 6 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.937 0.744 19085
878 1 6 . 1 1 20 20 TYR H H 20 9.355 9.355 9.202 0.153 19085
879 1 6 . 1 1 21 21 SER N N 21 116.849 116.849 118.359 -1.510 19085
880 1 6 . 1 1 21 21 SER HA H 21 3.804 3.804 4.140 -0.336 19085
881 1 6 . 1 1 21 21 SER CA C 21 61.968 61.968 60.955 1.013 19085
882 1 6 . 1 1 21 21 SER CB C 21 63.517 63.517 63.447 0.070 19085
883 1 6 . 1 1 21 21 SER H H 21 9.035 9.035 8.945 0.090 19085
884 1 6 . 1 1 22 22 ASN N N 22 105.634 105.634 116.776 -11.142 19085
885 1 6 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.104 -0.291 19085
886 1 6 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.709 0.371 19085
887 1 6 . 1 1 22 22 ASN H H 22 7.344 7.344 8.123 -0.779 19085
888 1 6 . 1 1 23 23 LEU N N 23 118.802 118.802 120.054 -1.252 19085
889 1 6 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.223 -0.366 19085
890 1 6 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.520 0.040 19085
891 1 6 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.954 0.910 19085
892 1 6 . 1 1 23 23 LEU H H 23 8.832 8.832 8.365 0.467 19085
893 1 6 . 1 1 24 24 CYS N N 24 119.567 119.567 118.859 0.708 19085
894 1 6 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.988 0.151 19085
895 1 6 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.323 -2.701 19085
896 1 6 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.427 9.866 19085
897 1 6 . 1 1 24 24 CYS H H 24 8.180 8.180 8.291 -0.111 19085
898 1 6 . 1 1 25 25 TRP N N 25 120.561 120.561 120.199 0.362 19085
899 1 6 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.378 -0.038 19085
900 1 6 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.382 0.943 19085
901 1 6 . 1 1 25 25 TRP H H 25 7.587 7.587 8.857 -1.270 19085
902 1 6 . 1 1 26 26 LEU N N 26 122.581 122.581 121.202 1.379 19085
903 1 6 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.883 0.052 19085
904 1 6 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.341 1.294 19085
905 1 6 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.132 0.233 19085
906 1 6 . 1 1 26 26 LEU H H 26 7.312 7.312 7.475 -0.163 19085
907 1 6 . 1 1 27 27 ASN N N 27 117.645 117.645 117.459 0.186 19085
908 1 6 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.273 0.138 19085
909 1 6 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.732 -1.088 19085
910 1 6 . 1 1 27 27 ASN H H 27 8.444 8.444 8.083 0.361 19085
911 1 6 . 1 1 28 28 GLU N N 28 121.101 121.101 119.306 1.795 19085
912 1 6 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.130 -0.113 19085
913 1 6 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.459 0.345 19085
914 1 6 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.312 -1.147 19085
915 1 6 . 1 1 28 28 GLU H H 28 8.365 8.365 8.041 0.324 19085
916 1 6 . 1 1 29 29 ALA N N 29 120.397 120.397 119.122 1.275 19085
917 1 6 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.379 -0.044 19085
918 1 6 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.243 0.318 19085
919 1 6 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.011 -0.333 19085
920 1 6 . 1 1 29 29 ALA H H 29 7.530 7.530 7.791 -0.261 19085
921 1 6 . 1 1 30 30 GLY N N 30 106.021 106.021 107.640 -1.619 19085
922 1 6 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.454 0.657 19085
923 1 6 . 1 1 30 30 GLY H H 30 7.793 7.793 7.505 0.288 19085
924 1 6 . 1 1 31 31 VAL N N 31 116.550 116.550 120.927 -4.377 19085
925 1 6 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.052 0.014 19085
926 1 6 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.903 -1.969 19085
927 1 6 . 1 1 31 31 VAL H H 31 6.611 6.611 7.178 -0.567 19085
928 1 6 . 1 1 32 32 GLY N N 32 110.423 110.423 113.358 -2.935 19085
929 1 6 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.332 0.240 19085
930 1 6 . 1 1 32 32 GLY H H 32 8.551 8.551 8.292 0.259 19085
931 1 6 . 1 1 33 33 LEU N N 33 124.291 124.291 122.184 2.107 19085
932 1 6 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.169 -0.220 19085
933 1 6 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.842 -0.019 19085
934 1 6 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.424 -0.354 19085
935 1 6 . 1 1 33 33 LEU H H 33 8.613 8.613 8.182 0.431 19085
936 1 6 . 1 1 34 34 ASP N N 34 126.710 126.710 124.685 2.025 19085
937 1 6 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.694 0.095 19085
938 1 6 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.047 -0.982 19085
939 1 6 . 1 1 34 34 ASP H H 34 9.091 9.091 8.730 0.361 19085
940 1 6 . 1 1 35 35 HIS N N 35 106.163 106.163 118.643 -12.480 19085
941 1 6 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.926 -0.104 19085
942 1 6 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.127 -1.776 19085
943 1 6 . 1 1 35 35 HIS H H 35 7.302 7.302 8.186 -0.884 19085
944 1 6 . 1 1 36 36 GLU N N 36 120.636 120.636 120.774 -0.138 19085
945 1 6 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.223 -0.014 19085
946 1 6 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.124 1.610 19085
947 1 6 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.173 -1.932 19085
948 1 6 . 1 1 36 36 GLU H H 36 9.309 9.309 8.763 0.546 19085
949 1 6 . 1 1 37 37 GLY N N 37 115.205 115.205 111.690 3.515 19085
950 1 6 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.316 0.234 19085
951 1 6 . 1 1 37 37 GLY H H 37 8.153 8.153 8.057 0.096 19085
952 1 6 . 1 1 38 38 GLU N N 38 112.146 112.146 119.067 -6.921 19085
953 1 6 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.221 -0.322 19085
954 1 6 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.808 0.413 19085
955 1 6 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.711 -1.198 19085
956 1 6 . 1 1 38 38 GLU H H 38 8.099 8.099 8.370 -0.271 19085
957 1 6 . 1 1 39 39 CYS N N 39 119.239 119.239 116.690 2.549 19085
958 1 6 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.053 -0.497 19085
959 1 6 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.441 6.884 19085
960 1 6 . 1 1 39 39 CYS H H 39 8.370 8.370 8.947 -0.577 19085
961 1 7 . 1 1 2 2 ALA N N 2 126.951 126.951 124.079 2.872 19085
962 1 7 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.814 -0.513 19085
963 1 7 . 1 1 2 2 ALA CA C 2 52.406 52.406 54.102 -1.696 19085
964 1 7 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.100 0.110 19085
965 1 7 . 1 1 2 2 ALA H H 2 8.685 8.685 8.958 -0.273 19085
966 1 7 . 1 1 3 3 ALA N N 3 124.358 124.358 119.972 4.386 19085
967 1 7 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.403 -0.134 19085
968 1 7 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.597 0.581 19085
969 1 7 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.107 -0.762 19085
970 1 7 . 1 1 3 3 ALA H H 3 8.328 8.328 7.427 0.901 19085
971 1 7 . 1 1 4 4 VAL N N 4 119.842 119.842 115.302 4.540 19085
972 1 7 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.367 -0.418 19085
973 1 7 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.723 -0.553 19085
974 1 7 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.406 0.220 19085
975 1 7 . 1 1 4 4 VAL H H 4 8.107 8.107 8.417 -0.310 19085
976 1 7 . 1 1 5 5 CYS N N 5 121.502 121.502 122.125 -0.623 19085
977 1 7 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.636 -0.003 19085
978 1 7 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.397 5.928 19085
979 1 7 . 1 1 5 5 CYS H H 5 7.666 7.666 8.037 -0.371 19085
980 1 7 . 1 1 6 6 THR N N 6 109.529 109.529 115.043 -5.514 19085
981 1 7 . 1 1 6 6 THR HA H 6 4.674 4.674 4.660 0.014 19085
982 1 7 . 1 1 6 6 THR H H 6 8.411 8.411 8.651 -0.240 19085
983 1 7 . 1 1 7 7 THR N N 7 112.520 112.520 109.848 2.672 19085
984 1 7 . 1 1 7 7 THR HA H 7 4.729 4.729 4.489 0.240 19085
985 1 7 . 1 1 7 7 THR H H 7 8.362 8.362 8.100 0.262 19085
986 1 7 . 1 1 8 8 GLU N N 8 123.121 123.121 122.232 0.889 19085
987 1 7 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.263 -0.125 19085
988 1 7 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.311 0.988 19085
989 1 7 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.184 -1.151 19085
990 1 7 . 1 1 8 8 GLU H H 8 7.885 7.885 7.677 0.208 19085
991 1 7 . 1 1 9 9 TRP N N 9 126.973 126.973 127.438 -0.465 19085
992 1 7 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.476 0.462 19085
993 1 7 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.329 -0.024 19085
994 1 7 . 1 1 9 9 TRP H H 9 8.799 8.799 8.535 0.264 19085
995 1 7 . 1 1 10 10 ASP N N 10 126.641 126.641 128.611 -1.970 19085
996 1 7 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.710 -0.054 19085
997 1 7 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.663 -0.616 19085
998 1 7 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.032 -3.543 19085
999 1 7 . 1 1 10 10 ASP H H 10 8.790 8.790 7.854 0.936 19085
1000 1 7 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.786 -0.732 19085
1001 1 7 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.204 0.545 19085
1002 1 7 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.742 1.446 19085
1003 1 7 . 1 1 12 12 VAL N N 12 110.024 110.024 116.927 -6.903 19085
1004 1 7 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.692 -0.245 19085
1005 1 7 . 1 1 12 12 VAL H H 12 8.078 8.078 8.495 -0.417 19085
1006 1 7 . 1 1 13 13 CYS N N 13 120.371 120.371 121.189 -0.818 19085
1007 1 7 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.513 -0.291 19085
1008 1 7 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.798 -2.961 19085
1009 1 7 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.701 8.683 19085
1010 1 7 . 1 1 13 13 CYS H H 13 8.431 8.431 8.864 -0.433 19085
1011 1 7 . 1 1 14 14 GLY N N 14 116.333 116.333 113.889 2.444 19085
1012 1 7 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.221 1.520 19085
1013 1 7 . 1 1 14 14 GLY H H 14 9.577 9.577 9.285 0.292 19085
1014 1 7 . 1 1 15 15 LYS N N 15 122.042 122.042 119.602 2.440 19085
1015 1 7 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.117 -0.113 19085
1016 1 7 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.758 0.326 19085
1017 1 7 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.457 -0.198 19085
1018 1 7 . 1 1 15 15 LYS H H 15 8.838 8.838 8.593 0.245 19085
1019 1 7 . 1 1 16 16 ASP N N 16 116.512 116.512 117.019 -0.507 19085
1020 1 7 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.696 -0.291 19085
1021 1 7 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.481 -0.657 19085
1022 1 7 . 1 1 16 16 ASP H H 16 8.354 8.354 7.969 0.385 19085
1023 1 7 . 1 1 17 17 GLY N N 17 108.685 108.685 107.650 1.035 19085
1024 1 7 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.803 -0.073 19085
1025 1 7 . 1 1 17 17 GLY H H 17 8.215 8.215 7.956 0.259 19085
1026 1 7 . 1 1 18 18 LYS N N 18 121.419 121.419 121.909 -0.490 19085
1027 1 7 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.214 0.182 19085
1028 1 7 . 1 1 18 18 LYS CA C 18 54.813 54.813 56.251 -1.438 19085
1029 1 7 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.886 0.739 19085
1030 1 7 . 1 1 18 18 LYS H H 18 7.827 7.827 8.002 -0.175 19085
1031 1 7 . 1 1 19 19 THR N N 19 121.800 121.800 118.426 3.374 19085
1032 1 7 . 1 1 19 19 THR HA H 19 4.843 4.843 4.802 0.041 19085
1033 1 7 . 1 1 19 19 THR CB C 19 69.515 69.515 69.295 0.220 19085
1034 1 7 . 1 1 19 19 THR H H 19 8.344 8.344 8.218 0.126 19085
1035 1 7 . 1 1 20 20 TYR N N 20 127.910 127.910 126.976 0.934 19085
1036 1 7 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.849 -0.341 19085
1037 1 7 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.726 0.955 19085
1038 1 7 . 1 1 20 20 TYR H H 20 9.355 9.355 9.284 0.071 19085
1039 1 7 . 1 1 21 21 SER N N 21 116.849 116.849 117.780 -0.931 19085
1040 1 7 . 1 1 21 21 SER HA H 21 3.804 3.804 4.060 -0.256 19085
1041 1 7 . 1 1 21 21 SER CA C 21 61.968 61.968 61.700 0.268 19085
1042 1 7 . 1 1 21 21 SER CB C 21 63.517 63.517 63.700 -0.183 19085
1043 1 7 . 1 1 21 21 SER H H 21 9.035 9.035 9.047 -0.012 19085
1044 1 7 . 1 1 22 22 ASN N N 22 105.634 105.634 115.447 -9.813 19085
1045 1 7 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.842 -0.029 19085
1046 1 7 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.119 0.961 19085
1047 1 7 . 1 1 22 22 ASN H H 22 7.344 7.344 7.977 -0.633 19085
1048 1 7 . 1 1 23 23 LEU N N 23 118.802 118.802 120.186 -1.384 19085
1049 1 7 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.119 -0.262 19085
1050 1 7 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.502 0.058 19085
1051 1 7 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.973 0.891 19085
1052 1 7 . 1 1 23 23 LEU H H 23 8.832 8.832 8.358 0.474 19085
1053 1 7 . 1 1 24 24 CYS N N 24 119.567 119.567 116.929 2.638 19085
1054 1 7 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.003 0.136 19085
1055 1 7 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.430 -1.808 19085
1056 1 7 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.243 10.050 19085
1057 1 7 . 1 1 24 24 CYS H H 24 8.180 8.180 8.098 0.082 19085
1058 1 7 . 1 1 25 25 TRP N N 25 120.561 120.561 120.070 0.491 19085
1059 1 7 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.372 -0.032 19085
1060 1 7 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.356 0.969 19085
1061 1 7 . 1 1 25 25 TRP H H 25 7.587 7.587 8.623 -1.036 19085
1062 1 7 . 1 1 26 26 LEU N N 26 122.581 122.581 121.262 1.319 19085
1063 1 7 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.816 0.119 19085
1064 1 7 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.114 1.521 19085
1065 1 7 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.037 0.328 19085
1066 1 7 . 1 1 26 26 LEU H H 26 7.312 7.312 7.414 -0.102 19085
1067 1 7 . 1 1 27 27 ASN N N 27 117.645 117.645 117.627 0.018 19085
1068 1 7 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.344 0.067 19085
1069 1 7 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.642 -0.998 19085
1070 1 7 . 1 1 27 27 ASN H H 27 8.444 8.444 8.288 0.156 19085
1071 1 7 . 1 1 28 28 GLU N N 28 121.101 121.101 120.648 0.453 19085
1072 1 7 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.144 -0.127 19085
1073 1 7 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.912 -0.108 19085
1074 1 7 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.573 -1.407 19085
1075 1 7 . 1 1 28 28 GLU H H 28 8.365 8.365 8.321 0.044 19085
1076 1 7 . 1 1 29 29 ALA N N 29 120.397 120.397 119.280 1.117 19085
1077 1 7 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.363 -0.028 19085
1078 1 7 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.173 0.388 19085
1079 1 7 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.148 -0.470 19085
1080 1 7 . 1 1 29 29 ALA H H 29 7.530 7.530 7.766 -0.236 19085
1081 1 7 . 1 1 30 30 GLY N N 30 106.021 106.021 106.836 -0.815 19085
1082 1 7 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.362 0.749 19085
1083 1 7 . 1 1 30 30 GLY H H 30 7.793 7.793 7.709 0.084 19085
1084 1 7 . 1 1 31 31 VAL N N 31 116.550 116.550 119.579 -3.029 19085
1085 1 7 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.256 -0.190 19085
1086 1 7 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.466 -0.532 19085
1087 1 7 . 1 1 31 31 VAL H H 31 6.611 6.611 7.244 -0.633 19085
1088 1 7 . 1 1 32 32 GLY N N 32 110.423 110.423 112.754 -2.331 19085
1089 1 7 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.217 0.355 19085
1090 1 7 . 1 1 32 32 GLY H H 32 8.551 8.551 8.340 0.211 19085
1091 1 7 . 1 1 33 33 LEU N N 33 124.291 124.291 122.161 2.130 19085
1092 1 7 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.101 -0.152 19085
1093 1 7 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.009 -0.186 19085
1094 1 7 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.451 -0.381 19085
1095 1 7 . 1 1 33 33 LEU H H 33 8.613 8.613 8.363 0.250 19085
1096 1 7 . 1 1 34 34 ASP N N 34 126.710 126.710 122.801 3.909 19085
1097 1 7 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.659 0.130 19085
1098 1 7 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.554 -1.489 19085
1099 1 7 . 1 1 34 34 ASP H H 34 9.091 9.091 8.715 0.376 19085
1100 1 7 . 1 1 35 35 HIS N N 35 106.163 106.163 118.535 -12.372 19085
1101 1 7 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.941 -0.119 19085
1102 1 7 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.440 -2.089 19085
1103 1 7 . 1 1 35 35 HIS H H 35 7.302 7.302 8.238 -0.936 19085
1104 1 7 . 1 1 36 36 GLU N N 36 120.636 120.636 119.773 0.863 19085
1105 1 7 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.295 -0.086 19085
1106 1 7 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.755 1.979 19085
1107 1 7 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.870 -1.629 19085
1108 1 7 . 1 1 36 36 GLU H H 36 9.309 9.309 8.577 0.732 19085
1109 1 7 . 1 1 37 37 GLY N N 37 115.205 115.205 111.798 3.407 19085
1110 1 7 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.459 0.091 19085
1111 1 7 . 1 1 37 37 GLY H H 37 8.153 8.153 8.379 -0.226 19085
1112 1 7 . 1 1 38 38 GLU N N 38 112.146 112.146 119.666 -7.520 19085
1113 1 7 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.132 -0.233 19085
1114 1 7 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.756 -0.535 19085
1115 1 7 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.715 -1.202 19085
1116 1 7 . 1 1 38 38 GLU H H 38 8.099 8.099 8.426 -0.327 19085
1117 1 7 . 1 1 39 39 CYS N N 39 119.239 119.239 119.963 -0.724 19085
1118 1 7 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.652 -0.096 19085
1119 1 7 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.372 7.953 19085
1120 1 7 . 1 1 39 39 CYS H H 39 8.370 8.370 8.697 -0.327 19085
1121 1 8 . 1 1 2 2 ALA N N 2 126.951 126.951 123.712 3.239 19085
1122 1 8 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.957 -0.656 19085
1123 1 8 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.257 -0.851 19085
1124 1 8 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.044 0.166 19085
1125 1 8 . 1 1 2 2 ALA H H 2 8.685 8.685 8.713 -0.028 19085
1126 1 8 . 1 1 3 3 ALA N N 3 124.358 124.358 123.207 1.151 19085
1127 1 8 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.412 -0.143 19085
1128 1 8 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.917 0.261 19085
1129 1 8 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.657 -0.312 19085
1130 1 8 . 1 1 3 3 ALA H H 3 8.328 8.328 8.112 0.216 19085
1131 1 8 . 1 1 4 4 VAL N N 4 119.842 119.842 116.473 3.369 19085
1132 1 8 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.173 -0.224 19085
1133 1 8 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.792 -0.622 19085
1134 1 8 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.405 0.221 19085
1135 1 8 . 1 1 4 4 VAL H H 4 8.107 8.107 8.013 0.094 19085
1136 1 8 . 1 1 5 5 CYS N N 5 121.502 121.502 120.431 1.071 19085
1137 1 8 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.539 0.094 19085
1138 1 8 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.821 6.504 19085
1139 1 8 . 1 1 5 5 CYS H H 5 7.666 7.666 7.804 -0.138 19085
1140 1 8 . 1 1 6 6 THR N N 6 109.529 109.529 116.885 -7.356 19085
1141 1 8 . 1 1 6 6 THR HA H 6 4.674 4.674 4.479 0.195 19085
1142 1 8 . 1 1 6 6 THR H H 6 8.411 8.411 8.140 0.271 19085
1143 1 8 . 1 1 7 7 THR N N 7 112.520 112.520 111.399 1.121 19085
1144 1 8 . 1 1 7 7 THR HA H 7 4.729 4.729 4.296 0.433 19085
1145 1 8 . 1 1 7 7 THR H H 7 8.362 8.362 8.244 0.118 19085
1146 1 8 . 1 1 8 8 GLU N N 8 123.121 123.121 122.416 0.705 19085
1147 1 8 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.349 -0.211 19085
1148 1 8 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.272 2.027 19085
1149 1 8 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.296 -1.263 19085
1150 1 8 . 1 1 8 8 GLU H H 8 7.885 7.885 7.758 0.127 19085
1151 1 8 . 1 1 9 9 TRP N N 9 126.973 126.973 128.387 -1.414 19085
1152 1 8 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.448 0.490 19085
1153 1 8 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.567 -0.262 19085
1154 1 8 . 1 1 9 9 TRP H H 9 8.799 8.799 8.570 0.229 19085
1155 1 8 . 1 1 10 10 ASP N N 10 126.641 126.641 128.942 -2.301 19085
1156 1 8 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.671 -0.015 19085
1157 1 8 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.630 -0.583 19085
1158 1 8 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.731 -3.242 19085
1159 1 8 . 1 1 10 10 ASP H H 10 8.790 8.790 7.845 0.945 19085
1160 1 8 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.717 -0.663 19085
1161 1 8 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.257 0.492 19085
1162 1 8 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.823 1.366 19085
1163 1 8 . 1 1 12 12 VAL N N 12 110.024 110.024 116.587 -6.563 19085
1164 1 8 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.669 -0.222 19085
1165 1 8 . 1 1 12 12 VAL H H 12 8.078 8.078 8.437 -0.359 19085
1166 1 8 . 1 1 13 13 CYS N N 13 120.371 120.371 120.337 0.034 19085
1167 1 8 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.628 -0.406 19085
1168 1 8 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.052 -3.215 19085
1169 1 8 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.363 8.021 19085
1170 1 8 . 1 1 13 13 CYS H H 13 8.431 8.431 8.789 -0.358 19085
1171 1 8 . 1 1 14 14 GLY N N 14 116.333 116.333 113.344 2.989 19085
1172 1 8 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.281 1.460 19085
1173 1 8 . 1 1 14 14 GLY H H 14 9.577 9.577 9.147 0.430 19085
1174 1 8 . 1 1 15 15 LYS N N 15 122.042 122.042 118.990 3.052 19085
1175 1 8 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.271 -0.267 19085
1176 1 8 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.230 0.854 19085
1177 1 8 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.586 -0.327 19085
1178 1 8 . 1 1 15 15 LYS H H 15 8.838 8.838 8.335 0.503 19085
1179 1 8 . 1 1 16 16 ASP N N 16 116.512 116.512 115.672 0.840 19085
1180 1 8 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.629 -0.224 19085
1181 1 8 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.343 0.481 19085
1182 1 8 . 1 1 16 16 ASP H H 16 8.354 8.354 7.957 0.397 19085
1183 1 8 . 1 1 17 17 GLY N N 17 108.685 108.685 109.015 -0.330 19085
1184 1 8 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.582 0.148 19085
1185 1 8 . 1 1 17 17 GLY H H 17 8.215 8.215 7.919 0.296 19085
1186 1 8 . 1 1 18 18 LYS N N 18 121.419 121.419 121.707 -0.288 19085
1187 1 8 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.371 0.025 19085
1188 1 8 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.540 -0.727 19085
1189 1 8 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.287 0.338 19085
1190 1 8 . 1 1 18 18 LYS H H 18 7.827 7.827 8.180 -0.353 19085
1191 1 8 . 1 1 19 19 THR N N 19 121.800 121.800 118.957 2.843 19085
1192 1 8 . 1 1 19 19 THR HA H 19 4.843 4.843 4.789 0.054 19085
1193 1 8 . 1 1 19 19 THR CB C 19 69.515 69.515 69.390 0.125 19085
1194 1 8 . 1 1 19 19 THR H H 19 8.344 8.344 8.408 -0.064 19085
1195 1 8 . 1 1 20 20 TYR N N 20 127.910 127.910 126.629 1.281 19085
1196 1 8 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.880 -0.372 19085
1197 1 8 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.781 0.901 19085
1198 1 8 . 1 1 20 20 TYR H H 20 9.355 9.355 9.262 0.093 19085
1199 1 8 . 1 1 21 21 SER N N 21 116.849 116.849 118.220 -1.371 19085
1200 1 8 . 1 1 21 21 SER HA H 21 3.804 3.804 4.076 -0.272 19085
1201 1 8 . 1 1 21 21 SER CA C 21 61.968 61.968 60.688 1.280 19085
1202 1 8 . 1 1 21 21 SER CB C 21 63.517 63.517 63.566 -0.049 19085
1203 1 8 . 1 1 21 21 SER H H 21 9.035 9.035 9.030 0.005 19085
1204 1 8 . 1 1 22 22 ASN N N 22 105.634 105.634 116.954 -11.320 19085
1205 1 8 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.880 -0.067 19085
1206 1 8 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.448 0.632 19085
1207 1 8 . 1 1 22 22 ASN H H 22 7.344 7.344 7.846 -0.502 19085
1208 1 8 . 1 1 23 23 LEU N N 23 118.802 118.802 120.247 -1.445 19085
1209 1 8 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.146 -0.289 19085
1210 1 8 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.226 0.334 19085
1211 1 8 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.745 1.119 19085
1212 1 8 . 1 1 23 23 LEU H H 23 8.832 8.832 8.479 0.353 19085
1213 1 8 . 1 1 24 24 CYS N N 24 119.567 119.567 120.429 -0.862 19085
1214 1 8 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.926 0.213 19085
1215 1 8 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.531 -1.909 19085
1216 1 8 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.217 10.076 19085
1217 1 8 . 1 1 24 24 CYS H H 24 8.180 8.180 7.731 0.449 19085
1218 1 8 . 1 1 25 25 TRP N N 25 120.561 120.561 120.364 0.197 19085
1219 1 8 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.365 -0.025 19085
1220 1 8 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.338 0.987 19085
1221 1 8 . 1 1 25 25 TRP H H 25 7.587 7.587 8.497 -0.910 19085
1222 1 8 . 1 1 26 26 LEU N N 26 122.581 122.581 121.249 1.332 19085
1223 1 8 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.790 0.145 19085
1224 1 8 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.553 1.082 19085
1225 1 8 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.147 0.218 19085
1226 1 8 . 1 1 26 26 LEU H H 26 7.312 7.312 7.464 -0.152 19085
1227 1 8 . 1 1 27 27 ASN N N 27 117.645 117.645 117.167 0.478 19085
1228 1 8 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.284 0.127 19085
1229 1 8 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.808 -1.164 19085
1230 1 8 . 1 1 27 27 ASN H H 27 8.444 8.444 8.143 0.301 19085
1231 1 8 . 1 1 28 28 GLU N N 28 121.101 121.101 118.835 2.266 19085
1232 1 8 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.138 -0.121 19085
1233 1 8 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.520 0.284 19085
1234 1 8 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.418 -1.252 19085
1235 1 8 . 1 1 28 28 GLU H H 28 8.365 8.365 8.262 0.103 19085
1236 1 8 . 1 1 29 29 ALA N N 29 120.397 120.397 118.808 1.589 19085
1237 1 8 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.320 0.015 19085
1238 1 8 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.348 0.213 19085
1239 1 8 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.945 -0.267 19085
1240 1 8 . 1 1 29 29 ALA H H 29 7.530 7.530 7.677 -0.147 19085
1241 1 8 . 1 1 30 30 GLY N N 30 106.021 106.021 108.099 -2.078 19085
1242 1 8 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.466 0.645 19085
1243 1 8 . 1 1 30 30 GLY H H 30 7.793 7.793 7.678 0.115 19085
1244 1 8 . 1 1 31 31 VAL N N 31 116.550 116.550 120.112 -3.562 19085
1245 1 8 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.165 -0.099 19085
1246 1 8 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.068 -1.134 19085
1247 1 8 . 1 1 31 31 VAL H H 31 6.611 6.611 7.162 -0.551 19085
1248 1 8 . 1 1 32 32 GLY N N 32 110.423 110.423 112.752 -2.329 19085
1249 1 8 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.180 0.392 19085
1250 1 8 . 1 1 32 32 GLY H H 32 8.551 8.551 8.287 0.264 19085
1251 1 8 . 1 1 33 33 LEU N N 33 124.291 124.291 123.350 0.941 19085
1252 1 8 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.059 -0.110 19085
1253 1 8 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.876 -0.053 19085
1254 1 8 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.264 -0.194 19085
1255 1 8 . 1 1 33 33 LEU H H 33 8.613 8.613 8.335 0.278 19085
1256 1 8 . 1 1 34 34 ASP N N 34 126.710 126.710 126.698 0.012 19085
1257 1 8 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.695 0.094 19085
1258 1 8 . 1 1 34 34 ASP CB C 34 42.065 42.065 42.984 -0.919 19085
1259 1 8 . 1 1 34 34 ASP H H 34 9.091 9.091 8.901 0.190 19085
1260 1 8 . 1 1 35 35 HIS N N 35 106.163 106.163 118.653 -12.490 19085
1261 1 8 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.942 -0.120 19085
1262 1 8 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.166 -1.815 19085
1263 1 8 . 1 1 35 35 HIS H H 35 7.302 7.302 8.216 -0.914 19085
1264 1 8 . 1 1 36 36 GLU N N 36 120.636 120.636 120.034 0.602 19085
1265 1 8 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.342 -0.133 19085
1266 1 8 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.556 2.178 19085
1267 1 8 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.742 -1.501 19085
1268 1 8 . 1 1 36 36 GLU H H 36 9.309 9.309 8.544 0.765 19085
1269 1 8 . 1 1 37 37 GLY N N 37 115.205 115.205 112.727 2.478 19085
1270 1 8 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.503 0.047 19085
1271 1 8 . 1 1 37 37 GLY H H 37 8.153 8.153 8.155 -0.002 19085
1272 1 8 . 1 1 38 38 GLU N N 38 112.146 112.146 119.693 -7.547 19085
1273 1 8 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.118 -0.219 19085
1274 1 8 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.838 -0.617 19085
1275 1 8 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.680 -1.167 19085
1276 1 8 . 1 1 38 38 GLU H H 38 8.099 8.099 8.407 -0.308 19085
1277 1 8 . 1 1 39 39 CYS N N 39 119.239 119.239 120.834 -1.595 19085
1278 1 8 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.625 -0.069 19085
1279 1 8 . 1 1 39 39 CYS CB C 39 37.325 37.325 28.923 8.402 19085
1280 1 8 . 1 1 39 39 CYS H H 39 8.370 8.370 8.708 -0.338 19085
1281 1 9 . 1 1 2 2 ALA N N 2 126.951 126.951 126.216 0.735 19085
1282 1 9 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.357 -0.056 19085
1283 1 9 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.959 -0.553 19085
1284 1 9 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.404 -0.194 19085
1285 1 9 . 1 1 2 2 ALA H H 2 8.685 8.685 8.451 0.234 19085
1286 1 9 . 1 1 3 3 ALA N N 3 124.358 124.358 118.531 5.827 19085
1287 1 9 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.320 -0.051 19085
1288 1 9 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.127 0.051 19085
1289 1 9 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.130 -0.785 19085
1290 1 9 . 1 1 3 3 ALA H H 3 8.328 8.328 7.314 1.014 19085
1291 1 9 . 1 1 4 4 VAL N N 4 119.842 119.842 114.546 5.296 19085
1292 1 9 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.315 -0.366 19085
1293 1 9 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.709 -0.539 19085
1294 1 9 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.353 0.273 19085
1295 1 9 . 1 1 4 4 VAL H H 4 8.107 8.107 8.241 -0.134 19085
1296 1 9 . 1 1 5 5 CYS N N 5 121.502 121.502 119.976 1.526 19085
1297 1 9 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.723 -0.090 19085
1298 1 9 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.855 5.470 19085
1299 1 9 . 1 1 5 5 CYS H H 5 7.666 7.666 7.564 0.102 19085
1300 1 9 . 1 1 6 6 THR N N 6 109.529 109.529 111.401 -1.872 19085
1301 1 9 . 1 1 6 6 THR HA H 6 4.674 4.674 4.582 0.092 19085
1302 1 9 . 1 1 6 6 THR H H 6 8.411 8.411 8.137 0.274 19085
1303 1 9 . 1 1 7 7 THR N N 7 112.520 112.520 111.536 0.984 19085
1304 1 9 . 1 1 7 7 THR HA H 7 4.729 4.729 4.370 0.359 19085
1305 1 9 . 1 1 7 7 THR H H 7 8.362 8.362 8.476 -0.114 19085
1306 1 9 . 1 1 8 8 GLU N N 8 123.121 123.121 121.147 1.974 19085
1307 1 9 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.370 -0.232 19085
1308 1 9 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.090 1.208 19085
1309 1 9 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.032 -0.999 19085
1310 1 9 . 1 1 8 8 GLU H H 8 7.885 7.885 7.778 0.107 19085
1311 1 9 . 1 1 9 9 TRP N N 9 126.973 126.973 127.406 -0.433 19085
1312 1 9 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.648 0.290 19085
1313 1 9 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.387 -0.082 19085
1314 1 9 . 1 1 9 9 TRP H H 9 8.799 8.799 8.525 0.274 19085
1315 1 9 . 1 1 10 10 ASP N N 10 126.641 126.641 129.449 -2.808 19085
1316 1 9 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.774 -0.118 19085
1317 1 9 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.913 -0.866 19085
1318 1 9 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.962 -3.473 19085
1319 1 9 . 1 1 10 10 ASP H H 10 8.790 8.790 7.806 0.984 19085
1320 1 9 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.648 -0.594 19085
1321 1 9 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.363 0.386 19085
1322 1 9 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.953 1.236 19085
1323 1 9 . 1 1 12 12 VAL N N 12 110.024 110.024 116.393 -6.369 19085
1324 1 9 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.710 -0.263 19085
1325 1 9 . 1 1 12 12 VAL H H 12 8.078 8.078 8.477 -0.399 19085
1326 1 9 . 1 1 13 13 CYS N N 13 120.371 120.371 120.121 0.250 19085
1327 1 9 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.649 -0.427 19085
1328 1 9 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.004 -3.167 19085
1329 1 9 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.456 7.928 19085
1330 1 9 . 1 1 13 13 CYS H H 13 8.431 8.431 8.916 -0.485 19085
1331 1 9 . 1 1 14 14 GLY N N 14 116.333 116.333 113.454 2.879 19085
1332 1 9 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.463 1.278 19085
1333 1 9 . 1 1 14 14 GLY H H 14 9.577 9.577 9.185 0.392 19085
1334 1 9 . 1 1 15 15 LYS N N 15 122.042 122.042 119.487 2.555 19085
1335 1 9 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.224 -0.220 19085
1336 1 9 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.595 0.489 19085
1337 1 9 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.577 -0.318 19085
1338 1 9 . 1 1 15 15 LYS H H 15 8.838 8.838 8.325 0.513 19085
1339 1 9 . 1 1 16 16 ASP N N 16 116.512 116.512 115.246 1.266 19085
1340 1 9 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.645 -0.240 19085
1341 1 9 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.353 0.471 19085
1342 1 9 . 1 1 16 16 ASP H H 16 8.354 8.354 7.867 0.487 19085
1343 1 9 . 1 1 17 17 GLY N N 17 108.685 108.685 108.484 0.201 19085
1344 1 9 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.477 0.253 19085
1345 1 9 . 1 1 17 17 GLY H H 17 8.215 8.215 7.864 0.351 19085
1346 1 9 . 1 1 18 18 LYS N N 18 121.419 121.419 121.812 -0.393 19085
1347 1 9 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.385 0.011 19085
1348 1 9 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.965 -0.152 19085
1349 1 9 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.689 0.936 19085
1350 1 9 . 1 1 18 18 LYS H H 18 7.827 7.827 7.982 -0.155 19085
1351 1 9 . 1 1 19 19 THR N N 19 121.800 121.800 118.837 2.963 19085
1352 1 9 . 1 1 19 19 THR HA H 19 4.843 4.843 4.729 0.114 19085
1353 1 9 . 1 1 19 19 THR CB C 19 69.515 69.515 69.066 0.449 19085
1354 1 9 . 1 1 19 19 THR H H 19 8.344 8.344 8.341 0.003 19085
1355 1 9 . 1 1 20 20 TYR N N 20 127.910 127.910 125.960 1.950 19085
1356 1 9 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.807 -0.299 19085
1357 1 9 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.660 1.021 19085
1358 1 9 . 1 1 20 20 TYR H H 20 9.355 9.355 9.175 0.180 19085
1359 1 9 . 1 1 21 21 SER N N 21 116.849 116.849 117.939 -1.090 19085
1360 1 9 . 1 1 21 21 SER HA H 21 3.804 3.804 4.070 -0.266 19085
1361 1 9 . 1 1 21 21 SER CA C 21 61.968 61.968 60.586 1.382 19085
1362 1 9 . 1 1 21 21 SER CB C 21 63.517 63.517 63.513 0.004 19085
1363 1 9 . 1 1 21 21 SER H H 21 9.035 9.035 8.878 0.157 19085
1364 1 9 . 1 1 22 22 ASN N N 22 105.634 105.634 118.650 -13.016 19085
1365 1 9 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.992 -0.179 19085
1366 1 9 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.400 -0.320 19085
1367 1 9 . 1 1 22 22 ASN H H 22 7.344 7.344 8.211 -0.867 19085
1368 1 9 . 1 1 23 23 LEU N N 23 118.802 118.802 122.318 -3.516 19085
1369 1 9 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.229 -0.372 19085
1370 1 9 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.264 0.296 19085
1371 1 9 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.946 0.918 19085
1372 1 9 . 1 1 23 23 LEU H H 23 8.832 8.832 8.460 0.372 19085
1373 1 9 . 1 1 24 24 CYS N N 24 119.567 119.567 117.551 2.016 19085
1374 1 9 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.028 0.111 19085
1375 1 9 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.409 -2.787 19085
1376 1 9 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.390 9.903 19085
1377 1 9 . 1 1 24 24 CYS H H 24 8.180 8.180 7.944 0.236 19085
1378 1 9 . 1 1 25 25 TRP N N 25 120.561 120.561 120.300 0.261 19085
1379 1 9 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.637 -0.297 19085
1380 1 9 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.411 0.914 19085
1381 1 9 . 1 1 25 25 TRP H H 25 7.587 7.587 7.484 0.103 19085
1382 1 9 . 1 1 26 26 LEU N N 26 122.581 122.581 120.898 1.683 19085
1383 1 9 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.771 0.164 19085
1384 1 9 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.350 1.284 19085
1385 1 9 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.209 0.156 19085
1386 1 9 . 1 1 26 26 LEU H H 26 7.312 7.312 7.508 -0.196 19085
1387 1 9 . 1 1 27 27 ASN N N 27 117.645 117.645 117.169 0.476 19085
1388 1 9 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.256 0.155 19085
1389 1 9 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.794 -1.150 19085
1390 1 9 . 1 1 27 27 ASN H H 27 8.444 8.444 8.296 0.148 19085
1391 1 9 . 1 1 28 28 GLU N N 28 121.101 121.101 119.078 2.023 19085
1392 1 9 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.048 -0.031 19085
1393 1 9 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.501 0.303 19085
1394 1 9 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.711 -1.545 19085
1395 1 9 . 1 1 28 28 GLU H H 28 8.365 8.365 8.041 0.324 19085
1396 1 9 . 1 1 29 29 ALA N N 29 120.397 120.397 119.471 0.926 19085
1397 1 9 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.318 0.017 19085
1398 1 9 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.656 -0.095 19085
1399 1 9 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.879 -0.201 19085
1400 1 9 . 1 1 29 29 ALA H H 29 7.530 7.530 7.477 0.053 19085
1401 1 9 . 1 1 30 30 GLY N N 30 106.021 106.021 107.364 -1.343 19085
1402 1 9 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.400 0.711 19085
1403 1 9 . 1 1 30 30 GLY H H 30 7.793 7.793 7.436 0.357 19085
1404 1 9 . 1 1 31 31 VAL N N 31 116.550 116.550 120.632 -4.082 19085
1405 1 9 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.098 -0.032 19085
1406 1 9 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.688 -1.754 19085
1407 1 9 . 1 1 31 31 VAL H H 31 6.611 6.611 7.159 -0.548 19085
1408 1 9 . 1 1 32 32 GLY N N 32 110.423 110.423 112.953 -2.530 19085
1409 1 9 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.281 0.291 19085
1410 1 9 . 1 1 32 32 GLY H H 32 8.551 8.551 8.306 0.245 19085
1411 1 9 . 1 1 33 33 LEU N N 33 124.291 124.291 122.177 2.114 19085
1412 1 9 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.129 -0.180 19085
1413 1 9 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.127 -0.304 19085
1414 1 9 . 1 1 33 33 LEU CB C 33 43.070 43.070 42.980 0.090 19085
1415 1 9 . 1 1 33 33 LEU H H 33 8.613 8.613 8.308 0.305 19085
1416 1 9 . 1 1 34 34 ASP N N 34 126.710 126.710 123.773 2.937 19085
1417 1 9 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.630 0.159 19085
1418 1 9 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.311 -1.246 19085
1419 1 9 . 1 1 34 34 ASP H H 34 9.091 9.091 8.536 0.555 19085
1420 1 9 . 1 1 35 35 HIS N N 35 106.163 106.163 118.739 -12.576 19085
1421 1 9 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.941 -0.119 19085
1422 1 9 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.235 -1.884 19085
1423 1 9 . 1 1 35 35 HIS H H 35 7.302 7.302 8.165 -0.863 19085
1424 1 9 . 1 1 36 36 GLU N N 36 120.636 120.636 120.613 0.023 19085
1425 1 9 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.339 -0.130 19085
1426 1 9 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.725 2.009 19085
1427 1 9 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.386 -2.145 19085
1428 1 9 . 1 1 36 36 GLU H H 36 9.309 9.309 8.726 0.583 19085
1429 1 9 . 1 1 37 37 GLY N N 37 115.205 115.205 111.990 3.215 19085
1430 1 9 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.440 0.110 19085
1431 1 9 . 1 1 37 37 GLY H H 37 8.153 8.153 8.416 -0.263 19085
1432 1 9 . 1 1 38 38 GLU N N 38 112.146 112.146 119.608 -7.462 19085
1433 1 9 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.093 -0.194 19085
1434 1 9 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.804 -0.583 19085
1435 1 9 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.669 -1.156 19085
1436 1 9 . 1 1 38 38 GLU H H 38 8.099 8.099 8.429 -0.330 19085
1437 1 9 . 1 1 39 39 CYS N N 39 119.239 119.239 119.838 -0.599 19085
1438 1 9 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.600 -0.044 19085
1439 1 9 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.312 8.012 19085
1440 1 9 . 1 1 39 39 CYS H H 39 8.370 8.370 8.602 -0.232 19085
1441 1 10 . 1 1 2 2 ALA N N 2 126.951 126.951 122.786 4.165 19085
1442 1 10 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.646 -0.345 19085
1443 1 10 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.452 0.954 19085
1444 1 10 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.940 -1.730 19085
1445 1 10 . 1 1 2 2 ALA H H 2 8.685 8.685 8.408 0.277 19085
1446 1 10 . 1 1 3 3 ALA N N 3 124.358 124.358 124.289 0.069 19085
1447 1 10 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.375 -0.106 19085
1448 1 10 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.001 0.177 19085
1449 1 10 . 1 1 3 3 ALA CB C 3 19.345 19.345 18.797 0.548 19085
1450 1 10 . 1 1 3 3 ALA H H 3 8.328 8.328 8.156 0.172 19085
1451 1 10 . 1 1 4 4 VAL N N 4 119.842 119.842 119.948 -0.106 19085
1452 1 10 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.363 -0.414 19085
1453 1 10 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.613 0.557 19085
1454 1 10 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.320 1.306 19085
1455 1 10 . 1 1 4 4 VAL H H 4 8.107 8.107 8.136 -0.029 19085
1456 1 10 . 1 1 5 5 CYS N N 5 121.502 121.502 119.783 1.719 19085
1457 1 10 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.675 -0.042 19085
1458 1 10 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.127 7.198 19085
1459 1 10 . 1 1 5 5 CYS H H 5 7.666 7.666 7.964 -0.298 19085
1460 1 10 . 1 1 6 6 THR N N 6 109.529 109.529 112.608 -3.079 19085
1461 1 10 . 1 1 6 6 THR HA H 6 4.674 4.674 4.347 0.327 19085
1462 1 10 . 1 1 6 6 THR H H 6 8.411 8.411 7.736 0.675 19085
1463 1 10 . 1 1 7 7 THR N N 7 112.520 112.520 110.366 2.154 19085
1464 1 10 . 1 1 7 7 THR HA H 7 4.729 4.729 4.213 0.516 19085
1465 1 10 . 1 1 7 7 THR H H 7 8.362 8.362 8.232 0.130 19085
1466 1 10 . 1 1 8 8 GLU N N 8 123.121 123.121 122.654 0.467 19085
1467 1 10 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.279 -0.141 19085
1468 1 10 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.147 1.152 19085
1469 1 10 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.301 -1.268 19085
1470 1 10 . 1 1 8 8 GLU H H 8 7.885 7.885 7.351 0.534 19085
1471 1 10 . 1 1 9 9 TRP N N 9 126.973 126.973 127.914 -0.941 19085
1472 1 10 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.457 0.481 19085
1473 1 10 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.250 0.056 19085
1474 1 10 . 1 1 9 9 TRP H H 9 8.799 8.799 8.497 0.302 19085
1475 1 10 . 1 1 10 10 ASP N N 10 126.641 126.641 128.303 -1.662 19085
1476 1 10 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.841 -0.185 19085
1477 1 10 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.147 -0.100 19085
1478 1 10 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.672 -4.183 19085
1479 1 10 . 1 1 10 10 ASP H H 10 8.790 8.790 8.009 0.781 19085
1480 1 10 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.620 -0.566 19085
1481 1 10 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.338 0.411 19085
1482 1 10 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.839 1.350 19085
1483 1 10 . 1 1 12 12 VAL N N 12 110.024 110.024 115.092 -5.068 19085
1484 1 10 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.886 -0.440 19085
1485 1 10 . 1 1 12 12 VAL H H 12 8.078 8.078 8.359 -0.281 19085
1486 1 10 . 1 1 13 13 CYS N N 13 120.371 120.371 120.521 -0.150 19085
1487 1 10 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.490 -0.268 19085
1488 1 10 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.163 -3.326 19085
1489 1 10 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.709 8.675 19085
1490 1 10 . 1 1 13 13 CYS H H 13 8.431 8.431 8.848 -0.417 19085
1491 1 10 . 1 1 14 14 GLY N N 14 116.333 116.333 113.754 2.579 19085
1492 1 10 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.272 1.469 19085
1493 1 10 . 1 1 14 14 GLY H H 14 9.577 9.577 9.195 0.382 19085
1494 1 10 . 1 1 15 15 LYS N N 15 122.042 122.042 119.650 2.392 19085
1495 1 10 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.171 -0.167 19085
1496 1 10 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.667 0.417 19085
1497 1 10 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.481 -0.222 19085
1498 1 10 . 1 1 15 15 LYS H H 15 8.838 8.838 8.451 0.387 19085
1499 1 10 . 1 1 16 16 ASP N N 16 116.512 116.512 116.516 -0.004 19085
1500 1 10 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.630 -0.225 19085
1501 1 10 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.011 -0.187 19085
1502 1 10 . 1 1 16 16 ASP H H 16 8.354 8.354 7.973 0.381 19085
1503 1 10 . 1 1 17 17 GLY N N 17 108.685 108.685 106.542 2.143 19085
1504 1 10 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.782 -0.052 19085
1505 1 10 . 1 1 17 17 GLY H H 17 8.215 8.215 7.884 0.331 19085
1506 1 10 . 1 1 18 18 LYS N N 18 121.419 121.419 119.777 1.642 19085
1507 1 10 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.585 -0.189 19085
1508 1 10 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.217 0.596 19085
1509 1 10 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.482 0.143 19085
1510 1 10 . 1 1 18 18 LYS H H 18 7.827 7.827 8.040 -0.213 19085
1511 1 10 . 1 1 19 19 THR N N 19 121.800 121.800 118.996 2.804 19085
1512 1 10 . 1 1 19 19 THR HA H 19 4.843 4.843 4.999 -0.156 19085
1513 1 10 . 1 1 19 19 THR CB C 19 69.515 69.515 69.297 0.218 19085
1514 1 10 . 1 1 19 19 THR H H 19 8.344 8.344 8.473 -0.129 19085
1515 1 10 . 1 1 20 20 TYR N N 20 127.910 127.910 127.205 0.705 19085
1516 1 10 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.789 -0.281 19085
1517 1 10 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.729 0.952 19085
1518 1 10 . 1 1 20 20 TYR H H 20 9.355 9.355 9.113 0.242 19085
1519 1 10 . 1 1 21 21 SER N N 21 116.849 116.849 117.834 -0.985 19085
1520 1 10 . 1 1 21 21 SER HA H 21 3.804 3.804 4.137 -0.333 19085
1521 1 10 . 1 1 21 21 SER CA C 21 61.968 61.968 61.874 0.094 19085
1522 1 10 . 1 1 21 21 SER CB C 21 63.517 63.517 63.726 -0.209 19085
1523 1 10 . 1 1 21 21 SER H H 21 9.035 9.035 9.050 -0.015 19085
1524 1 10 . 1 1 22 22 ASN N N 22 105.634 105.634 117.048 -11.414 19085
1525 1 10 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.851 -0.038 19085
1526 1 10 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.705 0.376 19085
1527 1 10 . 1 1 22 22 ASN H H 22 7.344 7.344 8.309 -0.965 19085
1528 1 10 . 1 1 23 23 LEU N N 23 118.802 118.802 122.052 -3.250 19085
1529 1 10 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.112 -0.255 19085
1530 1 10 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.431 0.129 19085
1531 1 10 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.839 1.026 19085
1532 1 10 . 1 1 23 23 LEU H H 23 8.832 8.832 8.565 0.267 19085
1533 1 10 . 1 1 24 24 CYS N N 24 119.567 119.567 117.868 1.699 19085
1534 1 10 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.021 0.118 19085
1535 1 10 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.750 -2.128 19085
1536 1 10 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.023 10.270 19085
1537 1 10 . 1 1 24 24 CYS H H 24 8.180 8.180 8.363 -0.183 19085
1538 1 10 . 1 1 25 25 TRP N N 25 120.561 120.561 119.724 0.837 19085
1539 1 10 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.428 -0.088 19085
1540 1 10 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.450 0.875 19085
1541 1 10 . 1 1 25 25 TRP H H 25 7.587 7.587 7.496 0.091 19085
1542 1 10 . 1 1 26 26 LEU N N 26 122.581 122.581 121.131 1.450 19085
1543 1 10 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.881 0.054 19085
1544 1 10 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.361 1.274 19085
1545 1 10 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.132 0.233 19085
1546 1 10 . 1 1 26 26 LEU H H 26 7.312 7.312 7.488 -0.176 19085
1547 1 10 . 1 1 27 27 ASN N N 27 117.645 117.645 117.508 0.137 19085
1548 1 10 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.293 0.118 19085
1549 1 10 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.850 -1.206 19085
1550 1 10 . 1 1 27 27 ASN H H 27 8.444 8.444 8.358 0.086 19085
1551 1 10 . 1 1 28 28 GLU N N 28 121.101 121.101 119.641 1.460 19085
1552 1 10 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.150 -0.133 19085
1553 1 10 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.387 0.417 19085
1554 1 10 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.750 -1.584 19085
1555 1 10 . 1 1 28 28 GLU H H 28 8.365 8.365 7.938 0.427 19085
1556 1 10 . 1 1 29 29 ALA N N 29 120.397 120.397 120.018 0.379 19085
1557 1 10 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.348 -0.013 19085
1558 1 10 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.670 -0.109 19085
1559 1 10 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.016 -0.338 19085
1560 1 10 . 1 1 29 29 ALA H H 29 7.530 7.530 7.928 -0.398 19085
1561 1 10 . 1 1 30 30 GLY N N 30 106.021 106.021 105.726 0.295 19085
1562 1 10 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.382 0.729 19085
1563 1 10 . 1 1 30 30 GLY H H 30 7.793 7.793 7.571 0.222 19085
1564 1 10 . 1 1 31 31 VAL N N 31 116.550 116.550 120.919 -4.369 19085
1565 1 10 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.025 0.041 19085
1566 1 10 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.917 -1.983 19085
1567 1 10 . 1 1 31 31 VAL H H 31 6.611 6.611 7.213 -0.602 19085
1568 1 10 . 1 1 32 32 GLY N N 32 110.423 110.423 113.771 -3.348 19085
1569 1 10 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.368 0.204 19085
1570 1 10 . 1 1 32 32 GLY H H 32 8.551 8.551 8.266 0.285 19085
1571 1 10 . 1 1 33 33 LEU N N 33 124.291 124.291 122.836 1.455 19085
1572 1 10 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.161 -0.212 19085
1573 1 10 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.001 -0.178 19085
1574 1 10 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.297 -0.227 19085
1575 1 10 . 1 1 33 33 LEU H H 33 8.613 8.613 8.262 0.351 19085
1576 1 10 . 1 1 34 34 ASP N N 34 126.710 126.710 124.003 2.707 19085
1577 1 10 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.778 0.011 19085
1578 1 10 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.335 -1.270 19085
1579 1 10 . 1 1 34 34 ASP H H 34 9.091 9.091 8.564 0.527 19085
1580 1 10 . 1 1 35 35 HIS N N 35 106.163 106.163 118.696 -12.533 19085
1581 1 10 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.875 -0.053 19085
1582 1 10 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.367 -2.017 19085
1583 1 10 . 1 1 35 35 HIS H H 35 7.302 7.302 8.236 -0.934 19085
1584 1 10 . 1 1 36 36 GLU N N 36 120.636 120.636 121.501 -0.865 19085
1585 1 10 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.154 0.055 19085
1586 1 10 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.236 1.498 19085
1587 1 10 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.999 -1.758 19085
1588 1 10 . 1 1 36 36 GLU H H 36 9.309 9.309 8.764 0.545 19085
1589 1 10 . 1 1 37 37 GLY N N 37 115.205 115.205 111.261 3.944 19085
1590 1 10 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.409 0.141 19085
1591 1 10 . 1 1 37 37 GLY H H 37 8.153 8.153 8.212 -0.059 19085
1592 1 10 . 1 1 38 38 GLU N N 38 112.146 112.146 119.122 -6.976 19085
1593 1 10 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.367 -0.468 19085
1594 1 10 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.076 1.145 19085
1595 1 10 . 1 1 38 38 GLU CB C 38 29.513 29.513 31.060 -1.547 19085
1596 1 10 . 1 1 38 38 GLU H H 38 8.099 8.099 8.362 -0.263 19085
1597 1 10 . 1 1 39 39 CYS N N 39 119.239 119.239 119.911 -0.672 19085
1598 1 10 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.907 -0.351 19085
1599 1 10 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.555 7.770 19085
1600 1 10 . 1 1 39 39 CYS H H 39 8.370 8.370 8.915 -0.545 19085
1601 1 11 . 1 1 2 2 ALA N N 2 126.951 126.951 123.154 3.797 19085
1602 1 11 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.554 -0.253 19085
1603 1 11 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.573 0.833 19085
1604 1 11 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.201 -0.991 19085
1605 1 11 . 1 1 2 2 ALA H H 2 8.685 8.685 8.248 0.437 19085
1606 1 11 . 1 1 3 3 ALA N N 3 124.358 124.358 122.605 1.753 19085
1607 1 11 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.211 0.058 19085
1608 1 11 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.253 -0.075 19085
1609 1 11 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.345 0.000 19085
1610 1 11 . 1 1 3 3 ALA H H 3 8.328 8.328 8.282 0.046 19085
1611 1 11 . 1 1 4 4 VAL N N 4 119.842 119.842 114.852 4.990 19085
1612 1 11 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.250 -0.301 19085
1613 1 11 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.047 0.122 19085
1614 1 11 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.884 0.742 19085
1615 1 11 . 1 1 4 4 VAL H H 4 8.107 8.107 8.329 -0.222 19085
1616 1 11 . 1 1 5 5 CYS N N 5 121.502 121.502 122.459 -0.957 19085
1617 1 11 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.531 0.102 19085
1618 1 11 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.189 8.136 19085
1619 1 11 . 1 1 5 5 CYS H H 5 7.666 7.666 7.866 -0.200 19085
1620 1 11 . 1 1 6 6 THR N N 6 109.529 109.529 116.390 -6.861 19085
1621 1 11 . 1 1 6 6 THR HA H 6 4.674 4.674 4.378 0.296 19085
1622 1 11 . 1 1 6 6 THR H H 6 8.411 8.411 8.051 0.360 19085
1623 1 11 . 1 1 7 7 THR N N 7 112.520 112.520 108.627 3.893 19085
1624 1 11 . 1 1 7 7 THR HA H 7 4.729 4.729 4.482 0.247 19085
1625 1 11 . 1 1 7 7 THR H H 7 8.362 8.362 8.233 0.129 19085
1626 1 11 . 1 1 8 8 GLU N N 8 123.121 123.121 122.176 0.945 19085
1627 1 11 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.223 -0.085 19085
1628 1 11 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.845 1.454 19085
1629 1 11 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.433 -1.400 19085
1630 1 11 . 1 1 8 8 GLU H H 8 7.885 7.885 8.034 -0.149 19085
1631 1 11 . 1 1 9 9 TRP N N 9 126.973 126.973 129.344 -2.371 19085
1632 1 11 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.565 0.373 19085
1633 1 11 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.235 0.070 19085
1634 1 11 . 1 1 9 9 TRP H H 9 8.799 8.799 8.734 0.065 19085
1635 1 11 . 1 1 10 10 ASP N N 10 126.641 126.641 128.392 -1.751 19085
1636 1 11 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.755 -0.099 19085
1637 1 11 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.623 -0.576 19085
1638 1 11 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.076 -3.587 19085
1639 1 11 . 1 1 10 10 ASP H H 10 8.790 8.790 8.096 0.694 19085
1640 1 11 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.860 -0.806 19085
1641 1 11 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.014 0.735 19085
1642 1 11 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.059 1.130 19085
1643 1 11 . 1 1 12 12 VAL N N 12 110.024 110.024 115.370 -5.346 19085
1644 1 11 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.732 -0.285 19085
1645 1 11 . 1 1 12 12 VAL H H 12 8.078 8.078 8.380 -0.302 19085
1646 1 11 . 1 1 13 13 CYS N N 13 120.371 120.371 120.484 -0.113 19085
1647 1 11 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.490 -0.268 19085
1648 1 11 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.943 -3.106 19085
1649 1 11 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.735 8.649 19085
1650 1 11 . 1 1 13 13 CYS H H 13 8.431 8.431 8.828 -0.397 19085
1651 1 11 . 1 1 14 14 GLY N N 14 116.333 116.333 113.761 2.572 19085
1652 1 11 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.022 1.719 19085
1653 1 11 . 1 1 14 14 GLY H H 14 9.577 9.577 9.249 0.328 19085
1654 1 11 . 1 1 15 15 LYS N N 15 122.042 122.042 119.733 2.309 19085
1655 1 11 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.080 -0.076 19085
1656 1 11 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.709 0.375 19085
1657 1 11 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.434 -0.175 19085
1658 1 11 . 1 1 15 15 LYS H H 15 8.838 8.838 8.522 0.316 19085
1659 1 11 . 1 1 16 16 ASP N N 16 116.512 116.512 117.348 -0.836 19085
1660 1 11 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.622 -0.217 19085
1661 1 11 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.595 -0.771 19085
1662 1 11 . 1 1 16 16 ASP H H 16 8.354 8.354 7.888 0.466 19085
1663 1 11 . 1 1 17 17 GLY N N 17 108.685 108.685 107.325 1.360 19085
1664 1 11 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.640 0.090 19085
1665 1 11 . 1 1 17 17 GLY H H 17 8.215 8.215 7.981 0.234 19085
1666 1 11 . 1 1 18 18 LYS N N 18 121.419 121.419 119.629 1.790 19085
1667 1 11 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.606 -0.210 19085
1668 1 11 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.431 0.382 19085
1669 1 11 . 1 1 18 18 LYS CB C 18 33.625 33.625 35.190 -1.565 19085
1670 1 11 . 1 1 18 18 LYS H H 18 7.827 7.827 7.519 0.308 19085
1671 1 11 . 1 1 19 19 THR N N 19 121.800 121.800 118.689 3.111 19085
1672 1 11 . 1 1 19 19 THR HA H 19 4.843 4.843 4.968 -0.125 19085
1673 1 11 . 1 1 19 19 THR CB C 19 69.515 69.515 69.221 0.294 19085
1674 1 11 . 1 1 19 19 THR H H 19 8.344 8.344 8.516 -0.172 19085
1675 1 11 . 1 1 20 20 TYR N N 20 127.910 127.910 125.497 2.413 19085
1676 1 11 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.827 -0.320 19085
1677 1 11 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.831 0.850 19085
1678 1 11 . 1 1 20 20 TYR H H 20 9.355 9.355 9.187 0.168 19085
1679 1 11 . 1 1 21 21 SER N N 21 116.849 116.849 118.999 -2.150 19085
1680 1 11 . 1 1 21 21 SER HA H 21 3.804 3.804 4.119 -0.315 19085
1681 1 11 . 1 1 21 21 SER CA C 21 61.968 61.968 61.213 0.755 19085
1682 1 11 . 1 1 21 21 SER CB C 21 63.517 63.517 63.542 -0.025 19085
1683 1 11 . 1 1 21 21 SER H H 21 9.035 9.035 9.046 -0.011 19085
1684 1 11 . 1 1 22 22 ASN N N 22 105.634 105.634 116.638 -11.004 19085
1685 1 11 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.029 -0.216 19085
1686 1 11 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.772 0.308 19085
1687 1 11 . 1 1 22 22 ASN H H 22 7.344 7.344 8.123 -0.779 19085
1688 1 11 . 1 1 23 23 LEU N N 23 118.802 118.802 121.081 -2.279 19085
1689 1 11 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.060 -0.203 19085
1690 1 11 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.204 0.356 19085
1691 1 11 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.951 0.913 19085
1692 1 11 . 1 1 23 23 LEU H H 23 8.832 8.832 8.226 0.606 19085
1693 1 11 . 1 1 24 24 CYS N N 24 119.567 119.567 118.713 0.854 19085
1694 1 11 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.988 0.151 19085
1695 1 11 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.067 -1.445 19085
1696 1 11 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.235 10.058 19085
1697 1 11 . 1 1 24 24 CYS H H 24 8.180 8.180 8.027 0.153 19085
1698 1 11 . 1 1 25 25 TRP N N 25 120.561 120.561 120.212 0.349 19085
1699 1 11 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.287 0.053 19085
1700 1 11 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.224 1.101 19085
1701 1 11 . 1 1 25 25 TRP H H 25 7.587 7.587 8.959 -1.372 19085
1702 1 11 . 1 1 26 26 LEU N N 26 122.581 122.581 121.157 1.424 19085
1703 1 11 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.880 0.055 19085
1704 1 11 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.399 1.236 19085
1705 1 11 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.091 0.274 19085
1706 1 11 . 1 1 26 26 LEU H H 26 7.312 7.312 7.473 -0.161 19085
1707 1 11 . 1 1 27 27 ASN N N 27 117.645 117.645 117.822 -0.177 19085
1708 1 11 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.294 0.117 19085
1709 1 11 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.653 -1.009 19085
1710 1 11 . 1 1 27 27 ASN H H 27 8.444 8.444 7.956 0.488 19085
1711 1 11 . 1 1 28 28 GLU N N 28 121.101 121.101 119.360 1.741 19085
1712 1 11 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.144 -0.127 19085
1713 1 11 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.538 0.266 19085
1714 1 11 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.443 -1.277 19085
1715 1 11 . 1 1 28 28 GLU H H 28 8.365 8.365 8.226 0.139 19085
1716 1 11 . 1 1 29 29 ALA N N 29 120.397 120.397 119.370 1.027 19085
1717 1 11 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.381 -0.046 19085
1718 1 11 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.300 0.261 19085
1719 1 11 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.204 -0.526 19085
1720 1 11 . 1 1 29 29 ALA H H 29 7.530 7.530 7.840 -0.310 19085
1721 1 11 . 1 1 30 30 GLY N N 30 106.021 106.021 106.820 -0.799 19085
1722 1 11 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.262 0.849 19085
1723 1 11 . 1 1 30 30 GLY H H 30 7.793 7.793 7.680 0.113 19085
1724 1 11 . 1 1 31 31 VAL N N 31 116.550 116.550 119.644 -3.094 19085
1725 1 11 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.159 -0.093 19085
1726 1 11 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.822 -0.888 19085
1727 1 11 . 1 1 31 31 VAL H H 31 6.611 6.611 7.156 -0.545 19085
1728 1 11 . 1 1 32 32 GLY N N 32 110.423 110.423 112.159 -1.736 19085
1729 1 11 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.191 0.381 19085
1730 1 11 . 1 1 32 32 GLY H H 32 8.551 8.551 8.303 0.248 19085
1731 1 11 . 1 1 33 33 LEU N N 33 124.291 124.291 122.781 1.510 19085
1732 1 11 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.147 -0.198 19085
1733 1 11 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.841 -0.018 19085
1734 1 11 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.474 -0.404 19085
1735 1 11 . 1 1 33 33 LEU H H 33 8.613 8.613 8.205 0.408 19085
1736 1 11 . 1 1 34 34 ASP N N 34 126.710 126.710 125.857 0.853 19085
1737 1 11 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.717 0.072 19085
1738 1 11 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.493 -1.428 19085
1739 1 11 . 1 1 34 34 ASP H H 34 9.091 9.091 8.591 0.500 19085
1740 1 11 . 1 1 35 35 HIS N N 35 106.163 106.163 118.383 -12.220 19085
1741 1 11 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.917 -0.095 19085
1742 1 11 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.026 -1.675 19085
1743 1 11 . 1 1 35 35 HIS H H 35 7.302 7.302 8.107 -0.805 19085
1744 1 11 . 1 1 36 36 GLU N N 36 120.636 120.636 120.821 -0.185 19085
1745 1 11 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.207 0.002 19085
1746 1 11 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.215 1.519 19085
1747 1 11 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.034 -1.793 19085
1748 1 11 . 1 1 36 36 GLU H H 36 9.309 9.309 8.777 0.532 19085
1749 1 11 . 1 1 37 37 GLY N N 37 115.205 115.205 111.435 3.770 19085
1750 1 11 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.307 0.243 19085
1751 1 11 . 1 1 37 37 GLY H H 37 8.153 8.153 7.981 0.172 19085
1752 1 11 . 1 1 38 38 GLU N N 38 112.146 112.146 119.366 -7.220 19085
1753 1 11 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.274 -0.375 19085
1754 1 11 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.619 0.602 19085
1755 1 11 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.690 -1.177 19085
1756 1 11 . 1 1 38 38 GLU H H 38 8.099 8.099 8.386 -0.287 19085
1757 1 11 . 1 1 39 39 CYS N N 39 119.239 119.239 117.133 2.106 19085
1758 1 11 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.083 -0.527 19085
1759 1 11 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.460 6.865 19085
1760 1 11 . 1 1 39 39 CYS H H 39 8.370 8.370 9.024 -0.654 19085
1761 1 12 . 1 1 2 2 ALA N N 2 126.951 126.951 124.246 2.705 19085
1762 1 12 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.377 -0.076 19085
1763 1 12 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.115 -0.709 19085
1764 1 12 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.352 -0.142 19085
1765 1 12 . 1 1 2 2 ALA H H 2 8.685 8.685 8.295 0.390 19085
1766 1 12 . 1 1 3 3 ALA N N 3 124.358 124.358 119.984 4.374 19085
1767 1 12 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.371 -0.102 19085
1768 1 12 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.625 0.553 19085
1769 1 12 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.066 -0.721 19085
1770 1 12 . 1 1 3 3 ALA H H 3 8.328 8.328 7.570 0.758 19085
1771 1 12 . 1 1 4 4 VAL N N 4 119.842 119.842 115.696 4.146 19085
1772 1 12 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.302 -0.353 19085
1773 1 12 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.961 -0.791 19085
1774 1 12 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.558 0.068 19085
1775 1 12 . 1 1 4 4 VAL H H 4 8.107 8.107 8.533 -0.426 19085
1776 1 12 . 1 1 5 5 CYS N N 5 121.502 121.502 121.610 -0.108 19085
1777 1 12 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.713 -0.080 19085
1778 1 12 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.361 5.964 19085
1779 1 12 . 1 1 5 5 CYS H H 5 7.666 7.666 7.847 -0.181 19085
1780 1 12 . 1 1 6 6 THR N N 6 109.529 109.529 115.159 -5.630 19085
1781 1 12 . 1 1 6 6 THR HA H 6 4.674 4.674 4.394 0.280 19085
1782 1 12 . 1 1 6 6 THR H H 6 8.411 8.411 8.205 0.206 19085
1783 1 12 . 1 1 7 7 THR N N 7 112.520 112.520 110.044 2.476 19085
1784 1 12 . 1 1 7 7 THR HA H 7 4.729 4.729 4.437 0.292 19085
1785 1 12 . 1 1 7 7 THR H H 7 8.362 8.362 8.107 0.255 19085
1786 1 12 . 1 1 8 8 GLU N N 8 123.121 123.121 121.557 1.564 19085
1787 1 12 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.414 -0.276 19085
1788 1 12 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.765 1.534 19085
1789 1 12 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.174 -1.141 19085
1790 1 12 . 1 1 8 8 GLU H H 8 7.885 7.885 7.896 -0.011 19085
1791 1 12 . 1 1 9 9 TRP N N 9 126.973 126.973 127.198 -0.225 19085
1792 1 12 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.437 0.501 19085
1793 1 12 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.631 -0.326 19085
1794 1 12 . 1 1 9 9 TRP H H 9 8.799 8.799 8.483 0.316 19085
1795 1 12 . 1 1 10 10 ASP N N 10 126.641 126.641 128.811 -2.170 19085
1796 1 12 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.726 -0.070 19085
1797 1 12 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.693 -0.646 19085
1798 1 12 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.949 -3.460 19085
1799 1 12 . 1 1 10 10 ASP H H 10 8.790 8.790 7.985 0.805 19085
1800 1 12 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.730 -0.676 19085
1801 1 12 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.128 0.621 19085
1802 1 12 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.773 1.416 19085
1803 1 12 . 1 1 12 12 VAL N N 12 110.024 110.024 115.167 -5.143 19085
1804 1 12 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.857 -0.410 19085
1805 1 12 . 1 1 12 12 VAL H H 12 8.078 8.078 8.390 -0.312 19085
1806 1 12 . 1 1 13 13 CYS N N 13 120.371 120.371 120.953 -0.582 19085
1807 1 12 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.624 -0.402 19085
1808 1 12 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.067 -3.230 19085
1809 1 12 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.852 8.532 19085
1810 1 12 . 1 1 13 13 CYS H H 13 8.431 8.431 8.973 -0.542 19085
1811 1 12 . 1 1 14 14 GLY N N 14 116.333 116.333 113.937 2.396 19085
1812 1 12 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.181 1.560 19085
1813 1 12 . 1 1 14 14 GLY H H 14 9.577 9.577 9.175 0.402 19085
1814 1 12 . 1 1 15 15 LYS N N 15 122.042 122.042 119.854 2.188 19085
1815 1 12 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.095 -0.091 19085
1816 1 12 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.691 0.393 19085
1817 1 12 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.513 -0.254 19085
1818 1 12 . 1 1 15 15 LYS H H 15 8.838 8.838 8.576 0.262 19085
1819 1 12 . 1 1 16 16 ASP N N 16 116.512 116.512 115.892 0.620 19085
1820 1 12 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.604 -0.200 19085
1821 1 12 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.573 0.251 19085
1822 1 12 . 1 1 16 16 ASP H H 16 8.354 8.354 7.845 0.509 19085
1823 1 12 . 1 1 17 17 GLY N N 17 108.685 108.685 108.847 -0.162 19085
1824 1 12 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.523 0.207 19085
1825 1 12 . 1 1 17 17 GLY H H 17 8.215 8.215 8.064 0.151 19085
1826 1 12 . 1 1 18 18 LYS N N 18 121.419 121.419 120.656 0.763 19085
1827 1 12 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.658 -0.262 19085
1828 1 12 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.725 1.088 19085
1829 1 12 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.316 -0.691 19085
1830 1 12 . 1 1 18 18 LYS H H 18 7.827 7.827 8.168 -0.341 19085
1831 1 12 . 1 1 19 19 THR N N 19 121.800 121.800 118.513 3.287 19085
1832 1 12 . 1 1 19 19 THR HA H 19 4.843 4.843 4.945 -0.102 19085
1833 1 12 . 1 1 19 19 THR CB C 19 69.515 69.515 69.499 0.016 19085
1834 1 12 . 1 1 19 19 THR H H 19 8.344 8.344 8.441 -0.097 19085
1835 1 12 . 1 1 20 20 TYR N N 20 127.910 127.910 126.397 1.513 19085
1836 1 12 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.848 -0.340 19085
1837 1 12 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.864 0.817 19085
1838 1 12 . 1 1 20 20 TYR H H 20 9.355 9.355 9.245 0.110 19085
1839 1 12 . 1 1 21 21 SER N N 21 116.849 116.849 118.248 -1.399 19085
1840 1 12 . 1 1 21 21 SER HA H 21 3.804 3.804 4.129 -0.325 19085
1841 1 12 . 1 1 21 21 SER CA C 21 61.968 61.968 60.878 1.090 19085
1842 1 12 . 1 1 21 21 SER CB C 21 63.517 63.517 63.502 0.015 19085
1843 1 12 . 1 1 21 21 SER H H 21 9.035 9.035 8.951 0.084 19085
1844 1 12 . 1 1 22 22 ASN N N 22 105.634 105.634 116.896 -11.262 19085
1845 1 12 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.031 -0.218 19085
1846 1 12 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.650 0.430 19085
1847 1 12 . 1 1 22 22 ASN H H 22 7.344 7.344 8.111 -0.767 19085
1848 1 12 . 1 1 23 23 LEU N N 23 118.802 118.802 120.238 -1.436 19085
1849 1 12 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.144 -0.287 19085
1850 1 12 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.260 0.300 19085
1851 1 12 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.842 1.022 19085
1852 1 12 . 1 1 23 23 LEU H H 23 8.832 8.832 8.401 0.431 19085
1853 1 12 . 1 1 24 24 CYS N N 24 119.567 119.567 118.892 0.675 19085
1854 1 12 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.969 0.170 19085
1855 1 12 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.358 -1.736 19085
1856 1 12 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.141 10.152 19085
1857 1 12 . 1 1 24 24 CYS H H 24 8.180 8.180 8.230 -0.050 19085
1858 1 12 . 1 1 25 25 TRP N N 25 120.561 120.561 120.435 0.126 19085
1859 1 12 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.357 -0.017 19085
1860 1 12 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.419 0.906 19085
1861 1 12 . 1 1 25 25 TRP H H 25 7.587 7.587 8.522 -0.935 19085
1862 1 12 . 1 1 26 26 LEU N N 26 122.581 122.581 121.179 1.402 19085
1863 1 12 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.785 0.150 19085
1864 1 12 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.379 1.256 19085
1865 1 12 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.072 0.293 19085
1866 1 12 . 1 1 26 26 LEU H H 26 7.312 7.312 7.433 -0.121 19085
1867 1 12 . 1 1 27 27 ASN N N 27 117.645 117.645 117.565 0.080 19085
1868 1 12 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.336 0.075 19085
1869 1 12 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.675 -1.031 19085
1870 1 12 . 1 1 27 27 ASN H H 27 8.444 8.444 8.200 0.244 19085
1871 1 12 . 1 1 28 28 GLU N N 28 121.101 121.101 120.137 0.964 19085
1872 1 12 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.117 -0.100 19085
1873 1 12 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.547 0.258 19085
1874 1 12 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.263 -1.097 19085
1875 1 12 . 1 1 28 28 GLU H H 28 8.365 8.365 8.496 -0.131 19085
1876 1 12 . 1 1 29 29 ALA N N 29 120.397 120.397 118.820 1.577 19085
1877 1 12 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.340 -0.005 19085
1878 1 12 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.306 0.255 19085
1879 1 12 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.949 -0.271 19085
1880 1 12 . 1 1 29 29 ALA H H 29 7.530 7.530 7.578 -0.048 19085
1881 1 12 . 1 1 30 30 GLY N N 30 106.021 106.021 108.205 -2.184 19085
1882 1 12 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.449 0.662 19085
1883 1 12 . 1 1 30 30 GLY H H 30 7.793 7.793 7.699 0.094 19085
1884 1 12 . 1 1 31 31 VAL N N 31 116.550 116.550 120.155 -3.605 19085
1885 1 12 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.157 -0.091 19085
1886 1 12 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.232 -1.298 19085
1887 1 12 . 1 1 31 31 VAL H H 31 6.611 6.611 7.189 -0.578 19085
1888 1 12 . 1 1 32 32 GLY N N 32 110.423 110.423 113.611 -3.188 19085
1889 1 12 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.397 0.175 19085
1890 1 12 . 1 1 32 32 GLY H H 32 8.551 8.551 8.349 0.202 19085
1891 1 12 . 1 1 33 33 LEU N N 33 124.291 124.291 122.649 1.642 19085
1892 1 12 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.104 -0.155 19085
1893 1 12 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.045 -0.223 19085
1894 1 12 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.339 -0.269 19085
1895 1 12 . 1 1 33 33 LEU H H 33 8.613 8.613 8.313 0.300 19085
1896 1 12 . 1 1 34 34 ASP N N 34 126.710 126.710 122.834 3.876 19085
1897 1 12 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.640 0.149 19085
1898 1 12 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.448 -1.383 19085
1899 1 12 . 1 1 34 34 ASP H H 34 9.091 9.091 8.498 0.593 19085
1900 1 12 . 1 1 35 35 HIS N N 35 106.163 106.163 119.033 -12.870 19085
1901 1 12 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.926 -0.104 19085
1902 1 12 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.718 -1.367 19085
1903 1 12 . 1 1 35 35 HIS H H 35 7.302 7.302 8.283 -0.981 19085
1904 1 12 . 1 1 36 36 GLU N N 36 120.636 120.636 121.475 -0.839 19085
1905 1 12 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.222 -0.013 19085
1906 1 12 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.577 1.157 19085
1907 1 12 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.226 -0.985 19085
1908 1 12 . 1 1 36 36 GLU H H 36 9.309 9.309 8.795 0.514 19085
1909 1 12 . 1 1 37 37 GLY N N 37 115.205 115.205 111.289 3.916 19085
1910 1 12 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.360 0.190 19085
1911 1 12 . 1 1 37 37 GLY H H 37 8.153 8.153 8.088 0.065 19085
1912 1 12 . 1 1 38 38 GLU N N 38 112.146 112.146 119.065 -6.919 19085
1913 1 12 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.327 -0.428 19085
1914 1 12 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.139 1.082 19085
1915 1 12 . 1 1 38 38 GLU CB C 38 29.513 29.513 31.016 -1.503 19085
1916 1 12 . 1 1 38 38 GLU H H 38 8.099 8.099 8.338 -0.239 19085
1917 1 12 . 1 1 39 39 CYS N N 39 119.239 119.239 120.042 -0.803 19085
1918 1 12 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.823 -0.267 19085
1919 1 12 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.302 8.023 19085
1920 1 12 . 1 1 39 39 CYS H H 39 8.370 8.370 8.941 -0.571 19085
1921 1 13 . 1 1 2 2 ALA N N 2 126.951 126.951 125.275 1.676 19085
1922 1 13 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.597 -0.296 19085
1923 1 13 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.710 0.696 19085
1924 1 13 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.484 -0.274 19085
1925 1 13 . 1 1 2 2 ALA H H 2 8.685 8.685 8.089 0.596 19085
1926 1 13 . 1 1 3 3 ALA N N 3 124.358 124.358 121.862 2.496 19085
1927 1 13 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.297 -0.028 19085
1928 1 13 . 1 1 3 3 ALA CA C 3 52.178 52.178 54.078 -1.900 19085
1929 1 13 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.046 0.299 19085
1930 1 13 . 1 1 3 3 ALA H H 3 8.328 8.328 8.322 0.006 19085
1931 1 13 . 1 1 4 4 VAL N N 4 119.842 119.842 110.099 9.743 19085
1932 1 13 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.301 -0.352 19085
1933 1 13 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.853 0.317 19085
1934 1 13 . 1 1 4 4 VAL CB C 4 32.626 32.626 33.320 -0.694 19085
1935 1 13 . 1 1 4 4 VAL H H 4 8.107 8.107 7.605 0.502 19085
1936 1 13 . 1 1 5 5 CYS N N 5 121.502 121.502 119.128 2.374 19085
1937 1 13 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.472 0.161 19085
1938 1 13 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.082 6.243 19085
1939 1 13 . 1 1 5 5 CYS H H 5 7.666 7.666 7.705 -0.039 19085
1940 1 13 . 1 1 6 6 THR N N 6 109.529 109.529 115.923 -6.394 19085
1941 1 13 . 1 1 6 6 THR HA H 6 4.674 4.674 4.580 0.094 19085
1942 1 13 . 1 1 6 6 THR H H 6 8.411 8.411 7.945 0.466 19085
1943 1 13 . 1 1 7 7 THR N N 7 112.520 112.520 109.760 2.760 19085
1944 1 13 . 1 1 7 7 THR HA H 7 4.729 4.729 4.372 0.357 19085
1945 1 13 . 1 1 7 7 THR H H 7 8.362 8.362 8.250 0.112 19085
1946 1 13 . 1 1 8 8 GLU N N 8 123.121 123.121 121.896 1.225 19085
1947 1 13 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.408 -0.270 19085
1948 1 13 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.006 1.293 19085
1949 1 13 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.784 -0.751 19085
1950 1 13 . 1 1 8 8 GLU H H 8 7.885 7.885 7.908 -0.023 19085
1951 1 13 . 1 1 9 9 TRP N N 9 126.973 126.973 128.214 -1.241 19085
1952 1 13 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.477 0.461 19085
1953 1 13 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.443 -0.138 19085
1954 1 13 . 1 1 9 9 TRP H H 9 8.799 8.799 8.605 0.194 19085
1955 1 13 . 1 1 10 10 ASP N N 10 126.641 126.641 128.710 -2.069 19085
1956 1 13 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.689 -0.033 19085
1957 1 13 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.626 -0.579 19085
1958 1 13 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.778 -3.289 19085
1959 1 13 . 1 1 10 10 ASP H H 10 8.790 8.790 7.738 1.052 19085
1960 1 13 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.619 -0.565 19085
1961 1 13 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.406 0.343 19085
1962 1 13 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.140 1.049 19085
1963 1 13 . 1 1 12 12 VAL N N 12 110.024 110.024 115.778 -5.754 19085
1964 1 13 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.767 -0.320 19085
1965 1 13 . 1 1 12 12 VAL H H 12 8.078 8.078 8.636 -0.558 19085
1966 1 13 . 1 1 13 13 CYS N N 13 120.371 120.371 120.584 -0.213 19085
1967 1 13 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.322 -0.100 19085
1968 1 13 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.005 -3.168 19085
1969 1 13 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.541 8.843 19085
1970 1 13 . 1 1 13 13 CYS H H 13 8.431 8.431 8.880 -0.449 19085
1971 1 13 . 1 1 14 14 GLY N N 14 116.333 116.333 113.738 2.595 19085
1972 1 13 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.152 1.589 19085
1973 1 13 . 1 1 14 14 GLY H H 14 9.577 9.577 9.327 0.250 19085
1974 1 13 . 1 1 15 15 LYS N N 15 122.042 122.042 119.833 2.209 19085
1975 1 13 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.198 -0.194 19085
1976 1 13 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.290 0.794 19085
1977 1 13 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.402 -0.143 19085
1978 1 13 . 1 1 15 15 LYS H H 15 8.838 8.838 8.551 0.287 19085
1979 1 13 . 1 1 16 16 ASP N N 16 116.512 116.512 117.738 -1.226 19085
1980 1 13 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.629 -0.224 19085
1981 1 13 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.692 -0.868 19085
1982 1 13 . 1 1 16 16 ASP H H 16 8.354 8.354 7.978 0.376 19085
1983 1 13 . 1 1 17 17 GLY N N 17 108.685 108.685 107.242 1.443 19085
1984 1 13 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.730 0.000 19085
1985 1 13 . 1 1 17 17 GLY H H 17 8.215 8.215 7.811 0.404 19085
1986 1 13 . 1 1 18 18 LYS N N 18 121.419 121.419 120.214 1.205 19085
1987 1 13 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.497 -0.101 19085
1988 1 13 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.049 0.764 19085
1989 1 13 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.442 0.183 19085
1990 1 13 . 1 1 18 18 LYS H H 18 7.827 7.827 7.617 0.210 19085
1991 1 13 . 1 1 19 19 THR N N 19 121.800 121.800 119.634 2.166 19085
1992 1 13 . 1 1 19 19 THR HA H 19 4.843 4.843 4.782 0.061 19085
1993 1 13 . 1 1 19 19 THR CB C 19 69.515 69.515 69.041 0.474 19085
1994 1 13 . 1 1 19 19 THR H H 19 8.344 8.344 8.459 -0.115 19085
1995 1 13 . 1 1 20 20 TYR N N 20 127.910 127.910 125.824 2.086 19085
1996 1 13 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.787 -0.279 19085
1997 1 13 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.806 0.875 19085
1998 1 13 . 1 1 20 20 TYR H H 20 9.355 9.355 9.119 0.236 19085
1999 1 13 . 1 1 21 21 SER N N 21 116.849 116.849 117.901 -1.052 19085
2000 1 13 . 1 1 21 21 SER HA H 21 3.804 3.804 4.147 -0.343 19085
2001 1 13 . 1 1 21 21 SER CA C 21 61.968 61.968 60.740 1.228 19085
2002 1 13 . 1 1 21 21 SER CB C 21 63.517 63.517 64.099 -0.582 19085
2003 1 13 . 1 1 21 21 SER H H 21 9.035 9.035 8.970 0.065 19085
2004 1 13 . 1 1 22 22 ASN N N 22 105.634 105.634 117.576 -11.942 19085
2005 1 13 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.963 -0.150 19085
2006 1 13 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.765 -0.685 19085
2007 1 13 . 1 1 22 22 ASN H H 22 7.344 7.344 7.885 -0.541 19085
2008 1 13 . 1 1 23 23 LEU N N 23 118.802 118.802 122.510 -3.708 19085
2009 1 13 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.226 -0.369 19085
2010 1 13 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.175 0.385 19085
2011 1 13 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.971 0.893 19085
2012 1 13 . 1 1 23 23 LEU H H 23 8.832 8.832 8.692 0.140 19085
2013 1 13 . 1 1 24 24 CYS N N 24 119.567 119.567 119.675 -0.108 19085
2014 1 13 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.934 0.205 19085
2015 1 13 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.406 -1.784 19085
2016 1 13 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.086 10.207 19085
2017 1 13 . 1 1 24 24 CYS H H 24 8.180 8.180 7.905 0.275 19085
2018 1 13 . 1 1 25 25 TRP N N 25 120.561 120.561 119.613 0.948 19085
2019 1 13 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.291 0.049 19085
2020 1 13 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.209 1.116 19085
2021 1 13 . 1 1 25 25 TRP H H 25 7.587 7.587 7.058 0.529 19085
2022 1 13 . 1 1 26 26 LEU N N 26 122.581 122.581 121.104 1.477 19085
2023 1 13 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.953 -0.018 19085
2024 1 13 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.250 1.385 19085
2025 1 13 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.177 0.188 19085
2026 1 13 . 1 1 26 26 LEU H H 26 7.312 7.312 7.464 -0.152 19085
2027 1 13 . 1 1 27 27 ASN N N 27 117.645 117.645 116.925 0.720 19085
2028 1 13 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.336 0.075 19085
2029 1 13 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.592 -0.948 19085
2030 1 13 . 1 1 27 27 ASN H H 27 8.444 8.444 8.307 0.137 19085
2031 1 13 . 1 1 28 28 GLU N N 28 121.101 121.101 119.356 1.745 19085
2032 1 13 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.191 -0.174 19085
2033 1 13 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.193 0.612 19085
2034 1 13 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.435 -1.269 19085
2035 1 13 . 1 1 28 28 GLU H H 28 8.365 8.365 8.338 0.027 19085
2036 1 13 . 1 1 29 29 ALA N N 29 120.397 120.397 119.905 0.492 19085
2037 1 13 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.302 0.033 19085
2038 1 13 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.716 -0.155 19085
2039 1 13 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.011 -0.333 19085
2040 1 13 . 1 1 29 29 ALA H H 29 7.530 7.530 7.795 -0.265 19085
2041 1 13 . 1 1 30 30 GLY N N 30 106.021 106.021 107.822 -1.801 19085
2042 1 13 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.167 0.944 19085
2043 1 13 . 1 1 30 30 GLY H H 30 7.793 7.793 7.606 0.187 19085
2044 1 13 . 1 1 31 31 VAL N N 31 116.550 116.550 121.041 -4.491 19085
2045 1 13 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.141 -0.075 19085
2046 1 13 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.961 -1.027 19085
2047 1 13 . 1 1 31 31 VAL H H 31 6.611 6.611 7.151 -0.540 19085
2048 1 13 . 1 1 32 32 GLY N N 32 110.423 110.423 112.122 -1.699 19085
2049 1 13 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.263 0.309 19085
2050 1 13 . 1 1 32 32 GLY H H 32 8.551 8.551 8.346 0.205 19085
2051 1 13 . 1 1 33 33 LEU N N 33 124.291 124.291 122.364 1.927 19085
2052 1 13 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.308 -0.359 19085
2053 1 13 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.490 0.333 19085
2054 1 13 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.932 -0.862 19085
2055 1 13 . 1 1 33 33 LEU H H 33 8.613 8.613 8.313 0.300 19085
2056 1 13 . 1 1 34 34 ASP N N 34 126.710 126.710 124.551 2.159 19085
2057 1 13 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.745 0.044 19085
2058 1 13 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.781 -1.716 19085
2059 1 13 . 1 1 34 34 ASP H H 34 9.091 9.091 8.783 0.308 19085
2060 1 13 . 1 1 35 35 HIS N N 35 106.163 106.163 118.650 -12.487 19085
2061 1 13 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.872 -0.050 19085
2062 1 13 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.260 -1.909 19085
2063 1 13 . 1 1 35 35 HIS H H 35 7.302 7.302 7.849 -0.547 19085
2064 1 13 . 1 1 36 36 GLU N N 36 120.636 120.636 122.184 -1.548 19085
2065 1 13 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.147 0.062 19085
2066 1 13 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.480 1.254 19085
2067 1 13 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.646 -1.405 19085
2068 1 13 . 1 1 36 36 GLU H H 36 9.309 9.309 8.811 0.498 19085
2069 1 13 . 1 1 37 37 GLY N N 37 115.205 115.205 112.134 3.071 19085
2070 1 13 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.278 0.272 19085
2071 1 13 . 1 1 37 37 GLY H H 37 8.153 8.153 8.009 0.144 19085
2072 1 13 . 1 1 38 38 GLU N N 38 112.146 112.146 118.119 -5.973 19085
2073 1 13 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.359 -0.460 19085
2074 1 13 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.972 0.249 19085
2075 1 13 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.410 -0.897 19085
2076 1 13 . 1 1 38 38 GLU H H 38 8.099 8.099 8.466 -0.367 19085
2077 1 13 . 1 1 39 39 CYS N N 39 119.239 119.239 115.816 3.423 19085
2078 1 13 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.151 -0.595 19085
2079 1 13 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.205 7.120 19085
2080 1 13 . 1 1 39 39 CYS H H 39 8.370 8.370 8.650 -0.280 19085
2081 1 14 . 1 1 2 2 ALA N N 2 126.951 126.951 125.063 1.888 19085
2082 1 14 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.241 0.060 19085
2083 1 14 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.289 -0.884 19085
2084 1 14 . 1 1 2 2 ALA CB C 2 19.210 19.210 18.986 0.224 19085
2085 1 14 . 1 1 2 2 ALA H H 2 8.685 8.685 8.022 0.663 19085
2086 1 14 . 1 1 3 3 ALA N N 3 124.358 124.358 118.589 5.769 19085
2087 1 14 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.388 -0.119 19085
2088 1 14 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.971 0.207 19085
2089 1 14 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.199 -0.854 19085
2090 1 14 . 1 1 3 3 ALA H H 3 8.328 8.328 7.438 0.890 19085
2091 1 14 . 1 1 4 4 VAL N N 4 119.842 119.842 116.177 3.665 19085
2092 1 14 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.280 -0.331 19085
2093 1 14 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.903 -0.733 19085
2094 1 14 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.255 0.370 19085
2095 1 14 . 1 1 4 4 VAL H H 4 8.107 8.107 8.453 -0.346 19085
2096 1 14 . 1 1 5 5 CYS N N 5 121.502 121.502 119.372 2.130 19085
2097 1 14 . 1 1 5 5 CYS HA H 5 4.633 4.633 5.032 -0.399 19085
2098 1 14 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.703 5.622 19085
2099 1 14 . 1 1 5 5 CYS H H 5 7.666 7.666 8.004 -0.338 19085
2100 1 14 . 1 1 6 6 THR N N 6 109.529 109.529 113.237 -3.708 19085
2101 1 14 . 1 1 6 6 THR HA H 6 4.674 4.674 4.430 0.244 19085
2102 1 14 . 1 1 6 6 THR H H 6 8.411 8.411 8.096 0.315 19085
2103 1 14 . 1 1 7 7 THR N N 7 112.520 112.520 110.329 2.191 19085
2104 1 14 . 1 1 7 7 THR HA H 7 4.729 4.729 4.344 0.385 19085
2105 1 14 . 1 1 7 7 THR H H 7 8.362 8.362 8.187 0.175 19085
2106 1 14 . 1 1 8 8 GLU N N 8 123.121 123.121 120.925 2.196 19085
2107 1 14 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.282 -0.144 19085
2108 1 14 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.668 1.631 19085
2109 1 14 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.034 -1.001 19085
2110 1 14 . 1 1 8 8 GLU H H 8 7.885 7.885 7.859 0.026 19085
2111 1 14 . 1 1 9 9 TRP N N 9 126.973 126.973 126.590 0.383 19085
2112 1 14 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.491 0.447 19085
2113 1 14 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.405 -0.100 19085
2114 1 14 . 1 1 9 9 TRP H H 9 8.799 8.799 8.504 0.295 19085
2115 1 14 . 1 1 10 10 ASP N N 10 126.641 126.641 128.817 -2.176 19085
2116 1 14 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.831 -0.175 19085
2117 1 14 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.172 -0.124 19085
2118 1 14 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.924 -4.435 19085
2119 1 14 . 1 1 10 10 ASP H H 10 8.790 8.790 7.988 0.802 19085
2120 1 14 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.832 -0.778 19085
2121 1 14 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.114 0.635 19085
2122 1 14 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.911 1.278 19085
2123 1 14 . 1 1 12 12 VAL N N 12 110.024 110.024 116.221 -6.197 19085
2124 1 14 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.728 -0.281 19085
2125 1 14 . 1 1 12 12 VAL H H 12 8.078 8.078 8.406 -0.328 19085
2126 1 14 . 1 1 13 13 CYS N N 13 120.371 120.371 120.031 0.340 19085
2127 1 14 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.448 -0.226 19085
2128 1 14 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.926 -3.089 19085
2129 1 14 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.982 8.402 19085
2130 1 14 . 1 1 13 13 CYS H H 13 8.431 8.431 8.913 -0.482 19085
2131 1 14 . 1 1 14 14 GLY N N 14 116.333 116.333 113.610 2.723 19085
2132 1 14 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.046 1.695 19085
2133 1 14 . 1 1 14 14 GLY H H 14 9.577 9.577 9.209 0.368 19085
2134 1 14 . 1 1 15 15 LYS N N 15 122.042 122.042 119.404 2.638 19085
2135 1 14 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.278 -0.274 19085
2136 1 14 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.278 0.806 19085
2137 1 14 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.440 -0.181 19085
2138 1 14 . 1 1 15 15 LYS H H 15 8.838 8.838 8.577 0.261 19085
2139 1 14 . 1 1 16 16 ASP N N 16 116.512 116.512 116.257 0.255 19085
2140 1 14 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.721 -0.316 19085
2141 1 14 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.178 -0.354 19085
2142 1 14 . 1 1 16 16 ASP H H 16 8.354 8.354 8.102 0.252 19085
2143 1 14 . 1 1 17 17 GLY N N 17 108.685 108.685 108.412 0.273 19085
2144 1 14 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.897 -0.167 19085
2145 1 14 . 1 1 17 17 GLY H H 17 8.215 8.215 8.038 0.177 19085
2146 1 14 . 1 1 18 18 LYS N N 18 121.419 121.419 120.405 1.014 19085
2147 1 14 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.496 -0.100 19085
2148 1 14 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.223 0.590 19085
2149 1 14 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.997 0.628 19085
2150 1 14 . 1 1 18 18 LYS H H 18 7.827 7.827 7.983 -0.156 19085
2151 1 14 . 1 1 19 19 THR N N 19 121.800 121.800 119.135 2.665 19085
2152 1 14 . 1 1 19 19 THR HA H 19 4.843 4.843 4.881 -0.038 19085
2153 1 14 . 1 1 19 19 THR CB C 19 69.515 69.515 69.409 0.106 19085
2154 1 14 . 1 1 19 19 THR H H 19 8.344 8.344 8.456 -0.112 19085
2155 1 14 . 1 1 20 20 TYR N N 20 127.910 127.910 127.213 0.697 19085
2156 1 14 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.816 -0.308 19085
2157 1 14 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.697 0.984 19085
2158 1 14 . 1 1 20 20 TYR H H 20 9.355 9.355 9.156 0.199 19085
2159 1 14 . 1 1 21 21 SER N N 21 116.849 116.849 117.887 -1.038 19085
2160 1 14 . 1 1 21 21 SER HA H 21 3.804 3.804 4.059 -0.255 19085
2161 1 14 . 1 1 21 21 SER CA C 21 61.968 61.968 61.727 0.241 19085
2162 1 14 . 1 1 21 21 SER CB C 21 63.517 63.517 63.608 -0.092 19085
2163 1 14 . 1 1 21 21 SER H H 21 9.035 9.035 8.996 0.039 19085
2164 1 14 . 1 1 22 22 ASN N N 22 105.634 105.634 115.461 -9.827 19085
2165 1 14 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.872 -0.059 19085
2166 1 14 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.225 0.855 19085
2167 1 14 . 1 1 22 22 ASN H H 22 7.344 7.344 8.063 -0.719 19085
2168 1 14 . 1 1 23 23 LEU N N 23 118.802 118.802 120.458 -1.656 19085
2169 1 14 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.168 -0.311 19085
2170 1 14 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.405 0.155 19085
2171 1 14 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.769 1.095 19085
2172 1 14 . 1 1 23 23 LEU H H 23 8.832 8.832 8.431 0.401 19085
2173 1 14 . 1 1 24 24 CYS N N 24 119.567 119.567 118.712 0.855 19085
2174 1 14 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.957 0.182 19085
2175 1 14 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.257 -2.635 19085
2176 1 14 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.420 9.873 19085
2177 1 14 . 1 1 24 24 CYS H H 24 8.180 8.180 8.226 -0.046 19085
2178 1 14 . 1 1 25 25 TRP N N 25 120.561 120.561 119.770 0.791 19085
2179 1 14 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.596 -0.256 19085
2180 1 14 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.376 0.949 19085
2181 1 14 . 1 1 25 25 TRP H H 25 7.587 7.587 8.360 -0.773 19085
2182 1 14 . 1 1 26 26 LEU N N 26 122.581 122.581 121.314 1.267 19085
2183 1 14 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.748 0.187 19085
2184 1 14 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.401 1.234 19085
2185 1 14 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.092 0.273 19085
2186 1 14 . 1 1 26 26 LEU H H 26 7.312 7.312 7.418 -0.106 19085
2187 1 14 . 1 1 27 27 ASN N N 27 117.645 117.645 117.624 0.021 19085
2188 1 14 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.272 0.139 19085
2189 1 14 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.842 -1.198 19085
2190 1 14 . 1 1 27 27 ASN H H 27 8.444 8.444 8.283 0.161 19085
2191 1 14 . 1 1 28 28 GLU N N 28 121.101 121.101 120.053 1.048 19085
2192 1 14 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.089 -0.072 19085
2193 1 14 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.364 0.440 19085
2194 1 14 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.617 -1.451 19085
2195 1 14 . 1 1 28 28 GLU H H 28 8.365 8.365 8.108 0.257 19085
2196 1 14 . 1 1 29 29 ALA N N 29 120.397 120.397 119.021 1.376 19085
2197 1 14 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.372 -0.037 19085
2198 1 14 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.014 0.547 19085
2199 1 14 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.902 -0.224 19085
2200 1 14 . 1 1 29 29 ALA H H 29 7.530 7.530 7.567 -0.037 19085
2201 1 14 . 1 1 30 30 GLY N N 30 106.021 106.021 107.994 -1.973 19085
2202 1 14 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.261 0.850 19085
2203 1 14 . 1 1 30 30 GLY H H 30 7.793 7.793 7.598 0.195 19085
2204 1 14 . 1 1 31 31 VAL N N 31 116.550 116.550 120.911 -4.361 19085
2205 1 14 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.194 -0.128 19085
2206 1 14 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.598 -0.664 19085
2207 1 14 . 1 1 31 31 VAL H H 31 6.611 6.611 7.101 -0.490 19085
2208 1 14 . 1 1 32 32 GLY N N 32 110.423 110.423 112.577 -2.154 19085
2209 1 14 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.328 0.244 19085
2210 1 14 . 1 1 32 32 GLY H H 32 8.551 8.551 8.382 0.169 19085
2211 1 14 . 1 1 33 33 LEU N N 33 124.291 124.291 122.946 1.345 19085
2212 1 14 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.170 -0.221 19085
2213 1 14 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.852 -0.029 19085
2214 1 14 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.500 -0.430 19085
2215 1 14 . 1 1 33 33 LEU H H 33 8.613 8.613 8.293 0.320 19085
2216 1 14 . 1 1 34 34 ASP N N 34 126.710 126.710 123.969 2.741 19085
2217 1 14 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.748 0.041 19085
2218 1 14 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.842 -1.776 19085
2219 1 14 . 1 1 34 34 ASP H H 34 9.091 9.091 8.515 0.576 19085
2220 1 14 . 1 1 35 35 HIS N N 35 106.163 106.163 118.390 -12.227 19085
2221 1 14 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.812 0.010 19085
2222 1 14 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.199 -1.848 19085
2223 1 14 . 1 1 35 35 HIS H H 35 7.302 7.302 8.172 -0.870 19085
2224 1 14 . 1 1 36 36 GLU N N 36 120.636 120.636 121.272 -0.636 19085
2225 1 14 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.185 0.024 19085
2226 1 14 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.053 1.681 19085
2227 1 14 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.266 -1.025 19085
2228 1 14 . 1 1 36 36 GLU H H 36 9.309 9.309 8.725 0.584 19085
2229 1 14 . 1 1 37 37 GLY N N 37 115.205 115.205 113.194 2.011 19085
2230 1 14 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.451 0.099 19085
2231 1 14 . 1 1 37 37 GLY H H 37 8.153 8.153 8.258 -0.105 19085
2232 1 14 . 1 1 38 38 GLU N N 38 112.146 112.146 119.796 -7.650 19085
2233 1 14 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.159 -0.260 19085
2234 1 14 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.709 -0.488 19085
2235 1 14 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.775 -1.262 19085
2236 1 14 . 1 1 38 38 GLU H H 38 8.099 8.099 8.444 -0.345 19085
2237 1 14 . 1 1 39 39 CYS N N 39 119.239 119.239 119.422 -0.183 19085
2238 1 14 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.845 -0.289 19085
2239 1 14 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.162 7.163 19085
2240 1 14 . 1 1 39 39 CYS H H 39 8.370 8.370 8.908 -0.538 19085
2241 1 15 . 1 1 2 2 ALA N N 2 126.951 126.951 123.660 3.291 19085
2242 1 15 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.591 -0.290 19085
2243 1 15 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.487 0.918 19085
2244 1 15 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.456 -1.246 19085
2245 1 15 . 1 1 2 2 ALA H H 2 8.685 8.685 8.008 0.677 19085
2246 1 15 . 1 1 3 3 ALA N N 3 124.358 124.358 121.792 2.566 19085
2247 1 15 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.277 -0.008 19085
2248 1 15 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.314 -0.136 19085
2249 1 15 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.157 0.188 19085
2250 1 15 . 1 1 3 3 ALA H H 3 8.328 8.328 8.169 0.159 19085
2251 1 15 . 1 1 4 4 VAL N N 4 119.842 119.842 118.147 1.695 19085
2252 1 15 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.249 -0.300 19085
2253 1 15 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.824 0.346 19085
2254 1 15 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.220 0.406 19085
2255 1 15 . 1 1 4 4 VAL H H 4 8.107 8.107 7.950 0.157 19085
2256 1 15 . 1 1 5 5 CYS N N 5 121.502 121.502 122.886 -1.384 19085
2257 1 15 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.594 0.039 19085
2258 1 15 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.302 8.023 19085
2259 1 15 . 1 1 5 5 CYS H H 5 7.666 7.666 8.053 -0.387 19085
2260 1 15 . 1 1 6 6 THR N N 6 109.529 109.529 115.207 -5.678 19085
2261 1 15 . 1 1 6 6 THR HA H 6 4.674 4.674 4.458 0.216 19085
2262 1 15 . 1 1 6 6 THR H H 6 8.411 8.411 8.056 0.355 19085
2263 1 15 . 1 1 7 7 THR N N 7 112.520 112.520 109.851 2.669 19085
2264 1 15 . 1 1 7 7 THR HA H 7 4.729 4.729 4.432 0.297 19085
2265 1 15 . 1 1 7 7 THR H H 7 8.362 8.362 8.195 0.167 19085
2266 1 15 . 1 1 8 8 GLU N N 8 123.121 123.121 121.697 1.424 19085
2267 1 15 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.260 -0.122 19085
2268 1 15 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.886 1.413 19085
2269 1 15 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.136 -1.103 19085
2270 1 15 . 1 1 8 8 GLU H H 8 7.885 7.885 7.550 0.335 19085
2271 1 15 . 1 1 9 9 TRP N N 9 126.973 126.973 127.439 -0.466 19085
2272 1 15 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.524 0.414 19085
2273 1 15 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.341 -0.036 19085
2274 1 15 . 1 1 9 9 TRP H H 9 8.799 8.799 8.621 0.178 19085
2275 1 15 . 1 1 10 10 ASP N N 10 126.641 126.641 128.651 -2.010 19085
2276 1 15 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.745 -0.089 19085
2277 1 15 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.671 -0.624 19085
2278 1 15 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.022 -3.533 19085
2279 1 15 . 1 1 10 10 ASP H H 10 8.790 8.790 8.089 0.701 19085
2280 1 15 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.865 -0.811 19085
2281 1 15 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.006 0.743 19085
2282 1 15 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.903 1.286 19085
2283 1 15 . 1 1 12 12 VAL N N 12 110.024 110.024 116.289 -6.265 19085
2284 1 15 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.697 -0.250 19085
2285 1 15 . 1 1 12 12 VAL H H 12 8.078 8.078 8.189 -0.111 19085
2286 1 15 . 1 1 13 13 CYS N N 13 120.371 120.371 121.730 -1.359 19085
2287 1 15 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.414 -0.192 19085
2288 1 15 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.591 -2.754 19085
2289 1 15 . 1 1 13 13 CYS CB C 13 38.384 38.384 28.747 9.636 19085
2290 1 15 . 1 1 13 13 CYS H H 13 8.431 8.431 8.813 -0.382 19085
2291 1 15 . 1 1 14 14 GLY N N 14 116.333 116.333 114.346 1.987 19085
2292 1 15 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.296 1.445 19085
2293 1 15 . 1 1 14 14 GLY H H 14 9.577 9.577 9.334 0.243 19085
2294 1 15 . 1 1 15 15 LYS N N 15 122.042 122.042 120.687 1.355 19085
2295 1 15 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.070 -0.066 19085
2296 1 15 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.658 0.426 19085
2297 1 15 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.404 -0.145 19085
2298 1 15 . 1 1 15 15 LYS H H 15 8.838 8.838 8.668 0.170 19085
2299 1 15 . 1 1 16 16 ASP N N 16 116.512 116.512 117.012 -0.500 19085
2300 1 15 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.662 -0.257 19085
2301 1 15 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.030 -0.206 19085
2302 1 15 . 1 1 16 16 ASP H H 16 8.354 8.354 7.894 0.460 19085
2303 1 15 . 1 1 17 17 GLY N N 17 108.685 108.685 107.186 1.499 19085
2304 1 15 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.483 0.247 19085
2305 1 15 . 1 1 17 17 GLY H H 17 8.215 8.215 8.051 0.164 19085
2306 1 15 . 1 1 18 18 LYS N N 18 121.419 121.419 119.211 2.208 19085
2307 1 15 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.678 -0.282 19085
2308 1 15 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.596 1.217 19085
2309 1 15 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.638 -1.013 19085
2310 1 15 . 1 1 18 18 LYS H H 18 7.827 7.827 7.490 0.337 19085
2311 1 15 . 1 1 19 19 THR N N 19 121.800 121.800 118.572 3.228 19085
2312 1 15 . 1 1 19 19 THR HA H 19 4.843 4.843 5.020 -0.177 19085
2313 1 15 . 1 1 19 19 THR CB C 19 69.515 69.515 69.138 0.377 19085
2314 1 15 . 1 1 19 19 THR H H 19 8.344 8.344 8.509 -0.165 19085
2315 1 15 . 1 1 20 20 TYR N N 20 127.910 127.910 126.222 1.688 19085
2316 1 15 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.838 -0.330 19085
2317 1 15 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.907 0.774 19085
2318 1 15 . 1 1 20 20 TYR H H 20 9.355 9.355 9.115 0.240 19085
2319 1 15 . 1 1 21 21 SER N N 21 116.849 116.849 118.468 -1.619 19085
2320 1 15 . 1 1 21 21 SER HA H 21 3.804 3.804 4.130 -0.326 19085
2321 1 15 . 1 1 21 21 SER CA C 21 61.968 61.968 60.948 1.020 19085
2322 1 15 . 1 1 21 21 SER CB C 21 63.517 63.517 63.414 0.103 19085
2323 1 15 . 1 1 21 21 SER H H 21 9.035 9.035 8.923 0.112 19085
2324 1 15 . 1 1 22 22 ASN N N 22 105.634 105.634 116.774 -11.140 19085
2325 1 15 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.086 -0.273 19085
2326 1 15 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.704 0.376 19085
2327 1 15 . 1 1 22 22 ASN H H 22 7.344 7.344 8.122 -0.778 19085
2328 1 15 . 1 1 23 23 LEU N N 23 118.802 118.802 120.802 -2.000 19085
2329 1 15 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.148 -0.291 19085
2330 1 15 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.540 0.020 19085
2331 1 15 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.715 1.149 19085
2332 1 15 . 1 1 23 23 LEU H H 23 8.832 8.832 8.415 0.417 19085
2333 1 15 . 1 1 24 24 CYS N N 24 119.567 119.567 118.695 0.872 19085
2334 1 15 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.983 0.156 19085
2335 1 15 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.303 -1.681 19085
2336 1 15 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.153 10.140 19085
2337 1 15 . 1 1 24 24 CYS H H 24 8.180 8.180 8.124 0.056 19085
2338 1 15 . 1 1 25 25 TRP N N 25 120.561 120.561 120.608 -0.047 19085
2339 1 15 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.357 -0.017 19085
2340 1 15 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.454 0.871 19085
2341 1 15 . 1 1 25 25 TRP H H 25 7.587 7.587 8.865 -1.278 19085
2342 1 15 . 1 1 26 26 LEU N N 26 122.581 122.581 120.861 1.720 19085
2343 1 15 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.936 -0.001 19085
2344 1 15 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.339 1.296 19085
2345 1 15 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.149 0.216 19085
2346 1 15 . 1 1 26 26 LEU H H 26 7.312 7.312 7.494 -0.182 19085
2347 1 15 . 1 1 27 27 ASN N N 27 117.645 117.645 117.565 0.080 19085
2348 1 15 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.302 0.109 19085
2349 1 15 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.638 -0.994 19085
2350 1 15 . 1 1 27 27 ASN H H 27 8.444 8.444 8.033 0.411 19085
2351 1 15 . 1 1 28 28 GLU N N 28 121.101 121.101 118.890 2.211 19085
2352 1 15 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.140 -0.123 19085
2353 1 15 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.347 0.457 19085
2354 1 15 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.083 -0.917 19085
2355 1 15 . 1 1 28 28 GLU H H 28 8.365 8.365 8.238 0.127 19085
2356 1 15 . 1 1 29 29 ALA N N 29 120.397 120.397 119.544 0.853 19085
2357 1 15 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.405 -0.070 19085
2358 1 15 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.224 0.337 19085
2359 1 15 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.146 -0.468 19085
2360 1 15 . 1 1 29 29 ALA H H 29 7.530 7.530 7.775 -0.245 19085
2361 1 15 . 1 1 30 30 GLY N N 30 106.021 106.021 106.749 -0.728 19085
2362 1 15 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.327 0.784 19085
2363 1 15 . 1 1 30 30 GLY H H 30 7.793 7.793 7.701 0.092 19085
2364 1 15 . 1 1 31 31 VAL N N 31 116.550 116.550 120.564 -4.014 19085
2365 1 15 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.256 -0.190 19085
2366 1 15 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.383 -0.449 19085
2367 1 15 . 1 1 31 31 VAL H H 31 6.611 6.611 7.090 -0.479 19085
2368 1 15 . 1 1 32 32 GLY N N 32 110.423 110.423 112.076 -1.653 19085
2369 1 15 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.079 0.493 19085
2370 1 15 . 1 1 32 32 GLY H H 32 8.551 8.551 8.328 0.223 19085
2371 1 15 . 1 1 33 33 LEU N N 33 124.291 124.291 121.393 2.898 19085
2372 1 15 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.221 -0.272 19085
2373 1 15 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.548 0.275 19085
2374 1 15 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.943 -0.873 19085
2375 1 15 . 1 1 33 33 LEU H H 33 8.613 8.613 8.233 0.380 19085
2376 1 15 . 1 1 34 34 ASP N N 34 126.710 126.710 124.079 2.631 19085
2377 1 15 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.754 0.035 19085
2378 1 15 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.631 -1.566 19085
2379 1 15 . 1 1 34 34 ASP H H 34 9.091 9.091 8.902 0.189 19085
2380 1 15 . 1 1 35 35 HIS N N 35 106.163 106.163 118.195 -12.032 19085
2381 1 15 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.863 -0.041 19085
2382 1 15 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.524 -2.173 19085
2383 1 15 . 1 1 35 35 HIS H H 35 7.302 7.302 7.891 -0.589 19085
2384 1 15 . 1 1 36 36 GLU N N 36 120.636 120.636 121.029 -0.393 19085
2385 1 15 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.135 0.074 19085
2386 1 15 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.293 1.441 19085
2387 1 15 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.900 -1.659 19085
2388 1 15 . 1 1 36 36 GLU H H 36 9.309 9.309 8.746 0.563 19085
2389 1 15 . 1 1 37 37 GLY N N 37 115.205 115.205 111.108 4.097 19085
2390 1 15 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.355 0.195 19085
2391 1 15 . 1 1 37 37 GLY H H 37 8.153 8.153 8.155 -0.002 19085
2392 1 15 . 1 1 38 38 GLU N N 38 112.146 112.146 118.641 -6.495 19085
2393 1 15 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.384 -0.485 19085
2394 1 15 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.941 0.280 19085
2395 1 15 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.664 -1.151 19085
2396 1 15 . 1 1 38 38 GLU H H 38 8.099 8.099 8.507 -0.408 19085
2397 1 15 . 1 1 39 39 CYS N N 39 119.239 119.239 116.943 2.296 19085
2398 1 15 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.041 -0.485 19085
2399 1 15 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.592 6.733 19085
2400 1 15 . 1 1 39 39 CYS H H 39 8.370 8.370 9.066 -0.696 19085
2401 1 16 . 1 1 2 2 ALA N N 2 126.951 126.951 122.839 4.112 19085
2402 1 16 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.405 -0.104 19085
2403 1 16 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.617 -0.211 19085
2404 1 16 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.519 -0.309 19085
2405 1 16 . 1 1 2 2 ALA H H 2 8.685 8.685 8.624 0.061 19085
2406 1 16 . 1 1 3 3 ALA N N 3 124.358 124.358 121.865 2.493 19085
2407 1 16 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.117 0.152 19085
2408 1 16 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.321 -0.143 19085
2409 1 16 . 1 1 3 3 ALA CB C 3 19.345 19.345 17.971 1.374 19085
2410 1 16 . 1 1 3 3 ALA H H 3 8.328 8.328 7.978 0.350 19085
2411 1 16 . 1 1 4 4 VAL N N 4 119.842 119.842 119.920 -0.078 19085
2412 1 16 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.251 -0.302 19085
2413 1 16 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.679 0.491 19085
2414 1 16 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.131 1.494 19085
2415 1 16 . 1 1 4 4 VAL H H 4 8.107 8.107 8.114 -0.007 19085
2416 1 16 . 1 1 5 5 CYS N N 5 121.502 121.502 120.115 1.387 19085
2417 1 16 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.727 -0.094 19085
2418 1 16 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.171 6.154 19085
2419 1 16 . 1 1 5 5 CYS H H 5 7.666 7.666 8.031 -0.365 19085
2420 1 16 . 1 1 6 6 THR N N 6 109.529 109.529 113.565 -4.036 19085
2421 1 16 . 1 1 6 6 THR HA H 6 4.674 4.674 4.383 0.291 19085
2422 1 16 . 1 1 6 6 THR H H 6 8.411 8.411 8.199 0.212 19085
2423 1 16 . 1 1 7 7 THR N N 7 112.520 112.520 110.106 2.414 19085
2424 1 16 . 1 1 7 7 THR HA H 7 4.729 4.729 4.257 0.472 19085
2425 1 16 . 1 1 7 7 THR H H 7 8.362 8.362 8.286 0.076 19085
2426 1 16 . 1 1 8 8 GLU N N 8 123.121 123.121 120.814 2.307 19085
2427 1 16 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.330 -0.192 19085
2428 1 16 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.180 1.119 19085
2429 1 16 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.984 -0.951 19085
2430 1 16 . 1 1 8 8 GLU H H 8 7.885 7.885 7.866 0.019 19085
2431 1 16 . 1 1 9 9 TRP N N 9 126.973 126.973 126.979 -0.006 19085
2432 1 16 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.428 0.510 19085
2433 1 16 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.449 -0.144 19085
2434 1 16 . 1 1 9 9 TRP H H 9 8.799 8.799 8.332 0.467 19085
2435 1 16 . 1 1 10 10 ASP N N 10 126.641 126.641 128.910 -2.269 19085
2436 1 16 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.713 -0.057 19085
2437 1 16 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.587 -0.541 19085
2438 1 16 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.801 -3.312 19085
2439 1 16 . 1 1 10 10 ASP H H 10 8.790 8.790 7.886 0.904 19085
2440 1 16 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.663 -0.609 19085
2441 1 16 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.244 0.505 19085
2442 1 16 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.813 1.376 19085
2443 1 16 . 1 1 12 12 VAL N N 12 110.024 110.024 114.846 -4.822 19085
2444 1 16 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.829 -0.382 19085
2445 1 16 . 1 1 12 12 VAL H H 12 8.078 8.078 8.284 -0.206 19085
2446 1 16 . 1 1 13 13 CYS N N 13 120.371 120.371 121.413 -1.042 19085
2447 1 16 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.466 -0.244 19085
2448 1 16 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.070 -3.233 19085
2449 1 16 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.409 8.975 19085
2450 1 16 . 1 1 13 13 CYS H H 13 8.431 8.431 8.818 -0.387 19085
2451 1 16 . 1 1 14 14 GLY N N 14 116.333 116.333 114.221 2.112 19085
2452 1 16 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.362 1.379 19085
2453 1 16 . 1 1 14 14 GLY H H 14 9.577 9.577 9.371 0.206 19085
2454 1 16 . 1 1 15 15 LYS N N 15 122.042 122.042 119.690 2.352 19085
2455 1 16 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.271 -0.267 19085
2456 1 16 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.551 0.533 19085
2457 1 16 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.499 -0.240 19085
2458 1 16 . 1 1 15 15 LYS H H 15 8.838 8.838 8.572 0.266 19085
2459 1 16 . 1 1 16 16 ASP N N 16 116.512 116.512 116.498 0.014 19085
2460 1 16 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.650 -0.245 19085
2461 1 16 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.227 -0.403 19085
2462 1 16 . 1 1 16 16 ASP H H 16 8.354 8.354 8.006 0.348 19085
2463 1 16 . 1 1 17 17 GLY N N 17 108.685 108.685 106.590 2.095 19085
2464 1 16 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.477 0.253 19085
2465 1 16 . 1 1 17 17 GLY H H 17 8.215 8.215 7.934 0.281 19085
2466 1 16 . 1 1 18 18 LYS N N 18 121.419 121.419 122.103 -0.684 19085
2467 1 16 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.173 0.223 19085
2468 1 16 . 1 1 18 18 LYS CA C 18 54.813 54.813 56.254 -1.441 19085
2469 1 16 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.706 0.919 19085
2470 1 16 . 1 1 18 18 LYS H H 18 7.827 7.827 7.960 -0.133 19085
2471 1 16 . 1 1 19 19 THR N N 19 121.800 121.800 120.222 1.578 19085
2472 1 16 . 1 1 19 19 THR HA H 19 4.843 4.843 4.840 0.003 19085
2473 1 16 . 1 1 19 19 THR CB C 19 69.515 69.515 69.338 0.177 19085
2474 1 16 . 1 1 19 19 THR H H 19 8.344 8.344 8.336 0.008 19085
2475 1 16 . 1 1 20 20 TYR N N 20 127.910 127.910 126.570 1.340 19085
2476 1 16 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.827 -0.319 19085
2477 1 16 . 1 1 20 20 TYR CB C 20 41.681 41.681 41.040 0.641 19085
2478 1 16 . 1 1 20 20 TYR H H 20 9.355 9.355 9.171 0.184 19085
2479 1 16 . 1 1 21 21 SER N N 21 116.849 116.849 118.002 -1.153 19085
2480 1 16 . 1 1 21 21 SER HA H 21 3.804 3.804 4.121 -0.317 19085
2481 1 16 . 1 1 21 21 SER CA C 21 61.968 61.968 60.732 1.236 19085
2482 1 16 . 1 1 21 21 SER CB C 21 63.517 63.517 63.562 -0.046 19085
2483 1 16 . 1 1 21 21 SER H H 21 9.035 9.035 8.914 0.121 19085
2484 1 16 . 1 1 22 22 ASN N N 22 105.634 105.634 116.376 -10.742 19085
2485 1 16 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.966 -0.153 19085
2486 1 16 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.671 0.409 19085
2487 1 16 . 1 1 22 22 ASN H H 22 7.344 7.344 8.098 -0.754 19085
2488 1 16 . 1 1 23 23 LEU N N 23 118.802 118.802 120.144 -1.342 19085
2489 1 16 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.178 -0.321 19085
2490 1 16 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.433 0.127 19085
2491 1 16 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.981 0.883 19085
2492 1 16 . 1 1 23 23 LEU H H 23 8.832 8.832 8.423 0.409 19085
2493 1 16 . 1 1 24 24 CYS N N 24 119.567 119.567 118.051 1.516 19085
2494 1 16 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.109 0.030 19085
2495 1 16 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.655 -2.033 19085
2496 1 16 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.451 9.841 19085
2497 1 16 . 1 1 24 24 CYS H H 24 8.180 8.180 8.257 -0.077 19085
2498 1 16 . 1 1 25 25 TRP N N 25 120.561 120.561 120.478 0.083 19085
2499 1 16 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.313 0.027 19085
2500 1 16 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.342 0.983 19085
2501 1 16 . 1 1 25 25 TRP H H 25 7.587 7.587 8.603 -1.016 19085
2502 1 16 . 1 1 26 26 LEU N N 26 122.581 122.581 120.781 1.800 19085
2503 1 16 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.852 0.083 19085
2504 1 16 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.354 1.281 19085
2505 1 16 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.128 0.237 19085
2506 1 16 . 1 1 26 26 LEU H H 26 7.312 7.312 7.425 -0.113 19085
2507 1 16 . 1 1 27 27 ASN N N 27 117.645 117.645 117.524 0.121 19085
2508 1 16 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.275 0.136 19085
2509 1 16 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.800 -1.156 19085
2510 1 16 . 1 1 27 27 ASN H H 27 8.444 8.444 8.241 0.203 19085
2511 1 16 . 1 1 28 28 GLU N N 28 121.101 121.101 118.988 2.113 19085
2512 1 16 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.122 -0.105 19085
2513 1 16 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.284 0.520 19085
2514 1 16 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.249 -1.083 19085
2515 1 16 . 1 1 28 28 GLU H H 28 8.365 8.365 8.230 0.135 19085
2516 1 16 . 1 1 29 29 ALA N N 29 120.397 120.397 118.992 1.405 19085
2517 1 16 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.366 -0.031 19085
2518 1 16 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.137 0.424 19085
2519 1 16 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.992 -0.315 19085
2520 1 16 . 1 1 29 29 ALA H H 29 7.530 7.530 7.566 -0.036 19085
2521 1 16 . 1 1 30 30 GLY N N 30 106.021 106.021 107.802 -1.781 19085
2522 1 16 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.441 0.670 19085
2523 1 16 . 1 1 30 30 GLY H H 30 7.793 7.793 7.620 0.173 19085
2524 1 16 . 1 1 31 31 VAL N N 31 116.550 116.550 120.767 -4.217 19085
2525 1 16 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.117 -0.051 19085
2526 1 16 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.569 -1.635 19085
2527 1 16 . 1 1 31 31 VAL H H 31 6.611 6.611 7.158 -0.547 19085
2528 1 16 . 1 1 32 32 GLY N N 32 110.423 110.423 113.594 -3.171 19085
2529 1 16 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.291 0.281 19085
2530 1 16 . 1 1 32 32 GLY H H 32 8.551 8.551 8.333 0.218 19085
2531 1 16 . 1 1 33 33 LEU N N 33 124.291 124.291 121.947 2.344 19085
2532 1 16 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.179 -0.230 19085
2533 1 16 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.858 -0.035 19085
2534 1 16 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.734 -0.664 19085
2535 1 16 . 1 1 33 33 LEU H H 33 8.613 8.613 8.293 0.320 19085
2536 1 16 . 1 1 34 34 ASP N N 34 126.710 126.710 125.300 1.410 19085
2537 1 16 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.703 0.086 19085
2538 1 16 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.292 -1.227 19085
2539 1 16 . 1 1 34 34 ASP H H 34 9.091 9.091 8.579 0.512 19085
2540 1 16 . 1 1 35 35 HIS N N 35 106.163 106.163 118.827 -12.664 19085
2541 1 16 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.918 -0.096 19085
2542 1 16 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.612 -1.261 19085
2543 1 16 . 1 1 35 35 HIS H H 35 7.302 7.302 8.181 -0.879 19085
2544 1 16 . 1 1 36 36 GLU N N 36 120.636 120.636 121.686 -1.050 19085
2545 1 16 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.239 -0.030 19085
2546 1 16 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.683 1.051 19085
2547 1 16 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.062 -0.821 19085
2548 1 16 . 1 1 36 36 GLU H H 36 9.309 9.309 8.814 0.495 19085
2549 1 16 . 1 1 37 37 GLY N N 37 115.205 115.205 111.846 3.359 19085
2550 1 16 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.280 0.270 19085
2551 1 16 . 1 1 37 37 GLY H H 37 8.153 8.153 7.905 0.248 19085
2552 1 16 . 1 1 38 38 GLU N N 38 112.146 112.146 118.878 -6.732 19085
2553 1 16 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.267 -0.368 19085
2554 1 16 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.279 0.943 19085
2555 1 16 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.877 -1.363 19085
2556 1 16 . 1 1 38 38 GLU H H 38 8.099 8.099 8.334 -0.235 19085
2557 1 16 . 1 1 39 39 CYS N N 39 119.239 119.239 120.069 -0.830 19085
2558 1 16 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.925 -0.369 19085
2559 1 16 . 1 1 39 39 CYS CB C 39 37.325 37.325 28.941 8.384 19085
2560 1 16 . 1 1 39 39 CYS H H 39 8.370 8.370 8.637 -0.267 19085
2561 1 17 . 1 1 2 2 ALA N N 2 126.951 126.951 122.929 4.022 19085
2562 1 17 . 1 1 2 2 ALA HA H 2 4.301 4.301 5.009 -0.708 19085
2563 1 17 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.353 0.053 19085
2564 1 17 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.536 -0.326 19085
2565 1 17 . 1 1 2 2 ALA H H 2 8.685 8.685 8.841 -0.156 19085
2566 1 17 . 1 1 3 3 ALA N N 3 124.358 124.358 123.019 1.339 19085
2567 1 17 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.930 -0.661 19085
2568 1 17 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.647 0.531 19085
2569 1 17 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.812 -1.467 19085
2570 1 17 . 1 1 3 3 ALA H H 3 8.328 8.328 8.171 0.157 19085
2571 1 17 . 1 1 4 4 VAL N N 4 119.842 119.842 118.716 1.126 19085
2572 1 17 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.332 -0.383 19085
2573 1 17 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.569 -0.399 19085
2574 1 17 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.368 0.258 19085
2575 1 17 . 1 1 4 4 VAL H H 4 8.107 8.107 8.282 -0.175 19085
2576 1 17 . 1 1 5 5 CYS N N 5 121.502 121.502 123.006 -1.504 19085
2577 1 17 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.655 -0.022 19085
2578 1 17 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.411 6.914 19085
2579 1 17 . 1 1 5 5 CYS H H 5 7.666 7.666 7.814 -0.148 19085
2580 1 17 . 1 1 6 6 THR N N 6 109.529 109.529 119.219 -9.690 19085
2581 1 17 . 1 1 6 6 THR HA H 6 4.674 4.674 4.576 0.098 19085
2582 1 17 . 1 1 6 6 THR H H 6 8.411 8.411 8.786 -0.375 19085
2583 1 17 . 1 1 7 7 THR N N 7 112.520 112.520 110.343 2.177 19085
2584 1 17 . 1 1 7 7 THR HA H 7 4.729 4.729 4.396 0.333 19085
2585 1 17 . 1 1 7 7 THR H H 7 8.362 8.362 8.202 0.160 19085
2586 1 17 . 1 1 8 8 GLU N N 8 123.121 123.121 121.420 1.701 19085
2587 1 17 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.357 -0.219 19085
2588 1 17 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.841 1.458 19085
2589 1 17 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.259 -1.226 19085
2590 1 17 . 1 1 8 8 GLU H H 8 7.885 7.885 7.827 0.058 19085
2591 1 17 . 1 1 9 9 TRP N N 9 126.973 126.973 127.537 -0.564 19085
2592 1 17 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.465 0.473 19085
2593 1 17 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.428 -0.123 19085
2594 1 17 . 1 1 9 9 TRP H H 9 8.799 8.799 8.624 0.175 19085
2595 1 17 . 1 1 10 10 ASP N N 10 126.641 126.641 128.817 -2.176 19085
2596 1 17 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.731 -0.075 19085
2597 1 17 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.641 -0.594 19085
2598 1 17 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.966 -3.477 19085
2599 1 17 . 1 1 10 10 ASP H H 10 8.790 8.790 7.921 0.869 19085
2600 1 17 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.852 -0.798 19085
2601 1 17 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.058 0.691 19085
2602 1 17 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.008 1.181 19085
2603 1 17 . 1 1 12 12 VAL N N 12 110.024 110.024 114.425 -4.401 19085
2604 1 17 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.784 -0.337 19085
2605 1 17 . 1 1 12 12 VAL H H 12 8.078 8.078 8.381 -0.303 19085
2606 1 17 . 1 1 13 13 CYS N N 13 120.371 120.371 120.232 0.139 19085
2607 1 17 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.618 -0.396 19085
2608 1 17 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.805 -3.968 19085
2609 1 17 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.264 8.120 19085
2610 1 17 . 1 1 13 13 CYS H H 13 8.431 8.431 8.886 -0.455 19085
2611 1 17 . 1 1 14 14 GLY N N 14 116.333 116.333 112.504 3.829 19085
2612 1 17 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.381 1.360 19085
2613 1 17 . 1 1 14 14 GLY H H 14 9.577 9.577 9.245 0.332 19085
2614 1 17 . 1 1 15 15 LYS N N 15 122.042 122.042 119.899 2.143 19085
2615 1 17 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.107 -0.103 19085
2616 1 17 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.563 0.520 19085
2617 1 17 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.384 -0.125 19085
2618 1 17 . 1 1 15 15 LYS H H 15 8.838 8.838 8.347 0.491 19085
2619 1 17 . 1 1 16 16 ASP N N 16 116.512 116.512 115.887 0.625 19085
2620 1 17 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.603 -0.198 19085
2621 1 17 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.783 0.041 19085
2622 1 17 . 1 1 16 16 ASP H H 16 8.354 8.354 7.957 0.397 19085
2623 1 17 . 1 1 17 17 GLY N N 17 108.685 108.685 109.011 -0.326 19085
2624 1 17 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.733 -0.003 19085
2625 1 17 . 1 1 17 17 GLY H H 17 8.215 8.215 7.991 0.224 19085
2626 1 17 . 1 1 18 18 LYS N N 18 121.419 121.419 120.418 1.001 19085
2627 1 17 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.729 -0.333 19085
2628 1 17 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.719 1.094 19085
2629 1 17 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.998 -0.373 19085
2630 1 17 . 1 1 18 18 LYS H H 18 7.827 7.827 8.233 -0.406 19085
2631 1 17 . 1 1 19 19 THR N N 19 121.800 121.800 118.940 2.860 19085
2632 1 17 . 1 1 19 19 THR HA H 19 4.843 4.843 4.830 0.013 19085
2633 1 17 . 1 1 19 19 THR CB C 19 69.515 69.515 69.208 0.307 19085
2634 1 17 . 1 1 19 19 THR H H 19 8.344 8.344 8.466 -0.122 19085
2635 1 17 . 1 1 20 20 TYR N N 20 127.910 127.910 127.380 0.530 19085
2636 1 17 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.860 -0.352 19085
2637 1 17 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.857 0.824 19085
2638 1 17 . 1 1 20 20 TYR H H 20 9.355 9.355 9.287 0.068 19085
2639 1 17 . 1 1 21 21 SER N N 21 116.849 116.849 117.774 -0.925 19085
2640 1 17 . 1 1 21 21 SER HA H 21 3.804 3.804 4.124 -0.320 19085
2641 1 17 . 1 1 21 21 SER CA C 21 61.968 61.968 61.667 0.301 19085
2642 1 17 . 1 1 21 21 SER CB C 21 63.517 63.517 63.774 -0.257 19085
2643 1 17 . 1 1 21 21 SER H H 21 9.035 9.035 9.044 -0.009 19085
2644 1 17 . 1 1 22 22 ASN N N 22 105.634 105.634 115.887 -10.253 19085
2645 1 17 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.989 -0.176 19085
2646 1 17 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.789 0.291 19085
2647 1 17 . 1 1 22 22 ASN H H 22 7.344 7.344 8.222 -0.878 19085
2648 1 17 . 1 1 23 23 LEU N N 23 118.802 118.802 120.946 -2.144 19085
2649 1 17 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.086 -0.229 19085
2650 1 17 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.479 0.081 19085
2651 1 17 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.895 0.969 19085
2652 1 17 . 1 1 23 23 LEU H H 23 8.832 8.832 8.587 0.245 19085
2653 1 17 . 1 1 24 24 CYS N N 24 119.567 119.567 117.528 2.039 19085
2654 1 17 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.943 0.196 19085
2655 1 17 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.746 -2.124 19085
2656 1 17 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.310 9.983 19085
2657 1 17 . 1 1 24 24 CYS H H 24 8.180 8.180 8.264 -0.084 19085
2658 1 17 . 1 1 25 25 TRP N N 25 120.561 120.561 119.959 0.602 19085
2659 1 17 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.592 -0.252 19085
2660 1 17 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.258 1.067 19085
2661 1 17 . 1 1 25 25 TRP H H 25 7.587 7.587 7.483 0.104 19085
2662 1 17 . 1 1 26 26 LEU N N 26 122.581 122.581 121.168 1.413 19085
2663 1 17 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.825 0.110 19085
2664 1 17 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.212 1.423 19085
2665 1 17 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.184 0.180 19085
2666 1 17 . 1 1 26 26 LEU H H 26 7.312 7.312 7.426 -0.114 19085
2667 1 17 . 1 1 27 27 ASN N N 27 117.645 117.645 117.278 0.367 19085
2668 1 17 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.317 0.094 19085
2669 1 17 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.653 -1.009 19085
2670 1 17 . 1 1 27 27 ASN H H 27 8.444 8.444 8.337 0.107 19085
2671 1 17 . 1 1 28 28 GLU N N 28 121.101 121.101 119.515 1.586 19085
2672 1 17 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.105 -0.088 19085
2673 1 17 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.471 0.333 19085
2674 1 17 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.699 -1.533 19085
2675 1 17 . 1 1 28 28 GLU H H 28 8.365 8.365 7.963 0.402 19085
2676 1 17 . 1 1 29 29 ALA N N 29 120.397 120.397 119.397 1.000 19085
2677 1 17 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.378 -0.043 19085
2678 1 17 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.325 0.236 19085
2679 1 17 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.091 -0.413 19085
2680 1 17 . 1 1 29 29 ALA H H 29 7.530 7.530 7.885 -0.355 19085
2681 1 17 . 1 1 30 30 GLY N N 30 106.021 106.021 106.536 -0.515 19085
2682 1 17 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.221 0.890 19085
2683 1 17 . 1 1 30 30 GLY H H 30 7.793 7.793 7.619 0.174 19085
2684 1 17 . 1 1 31 31 VAL N N 31 116.550 116.550 119.653 -3.103 19085
2685 1 17 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.237 -0.171 19085
2686 1 17 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.546 -0.612 19085
2687 1 17 . 1 1 31 31 VAL H H 31 6.611 6.611 7.240 -0.629 19085
2688 1 17 . 1 1 32 32 GLY N N 32 110.423 110.423 112.362 -1.939 19085
2689 1 17 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.100 0.472 19085
2690 1 17 . 1 1 32 32 GLY H H 32 8.551 8.551 8.355 0.196 19085
2691 1 17 . 1 1 33 33 LEU N N 33 124.291 124.291 122.086 2.205 19085
2692 1 17 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.161 -0.212 19085
2693 1 17 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.696 0.127 19085
2694 1 17 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.195 -0.125 19085
2695 1 17 . 1 1 33 33 LEU H H 33 8.613 8.613 8.365 0.248 19085
2696 1 17 . 1 1 34 34 ASP N N 34 126.710 126.710 125.127 1.583 19085
2697 1 17 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.631 0.158 19085
2698 1 17 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.210 -1.145 19085
2699 1 17 . 1 1 34 34 ASP H H 34 9.091 9.091 8.764 0.327 19085
2700 1 17 . 1 1 35 35 HIS N N 35 106.163 106.163 118.660 -12.497 19085
2701 1 17 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.935 -0.113 19085
2702 1 17 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.168 -1.817 19085
2703 1 17 . 1 1 35 35 HIS H H 35 7.302 7.302 8.244 -0.942 19085
2704 1 17 . 1 1 36 36 GLU N N 36 120.636 120.636 120.980 -0.344 19085
2705 1 17 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.205 0.004 19085
2706 1 17 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.233 1.501 19085
2707 1 17 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.021 -1.780 19085
2708 1 17 . 1 1 36 36 GLU H H 36 9.309 9.309 8.791 0.518 19085
2709 1 17 . 1 1 37 37 GLY N N 37 115.205 115.205 111.482 3.723 19085
2710 1 17 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.356 0.194 19085
2711 1 17 . 1 1 37 37 GLY H H 37 8.153 8.153 8.014 0.139 19085
2712 1 17 . 1 1 38 38 GLU N N 38 112.146 112.146 119.094 -6.948 19085
2713 1 17 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.267 -0.368 19085
2714 1 17 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.921 0.300 19085
2715 1 17 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.539 -1.026 19085
2716 1 17 . 1 1 38 38 GLU H H 38 8.099 8.099 8.421 -0.322 19085
2717 1 17 . 1 1 39 39 CYS N N 39 119.239 119.239 118.897 0.342 19085
2718 1 17 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.002 -0.446 19085
2719 1 17 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.183 7.142 19085
2720 1 17 . 1 1 39 39 CYS H H 39 8.370 8.370 9.025 -0.655 19085
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 37 3.763 0.412 3.792 19085
2 1 1 "Average Difference" HA 43 0.300 0.056 0.298 19085
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19085
4 1 1 "Average Difference" CA 24 1.100 0.037 1.123 19085
5 1 1 "Average Difference" CB 29 3.218 -0.742 3.186 19085
6 1 1 "Average Difference" HN 37 0.390 -0.027 0.394 19085
7 1 2 "Average Difference" N 37 4.249 0.429 4.286 19085
8 1 2 "Average Difference" HA 43 0.285 0.045 0.285 19085
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19085
10 1 2 "Average Difference" CA 24 1.282 0.055 1.309 19085
11 1 2 "Average Difference" CB 29 3.257 -0.867 3.195 19085
12 1 2 "Average Difference" HN 37 0.409 -0.092 0.404 19085
13 1 3 "Average Difference" N 37 3.783 0.597 3.787 19085
14 1 3 "Average Difference" HA 43 0.292 0.046 0.291 19085
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19085
16 1 3 "Average Difference" CA 24 1.034 -0.211 1.034 19085
17 1 3 "Average Difference" CB 29 3.344 -0.842 3.294 19085
18 1 3 "Average Difference" HN 37 0.389 -0.011 0.394 19085
19 1 4 "Average Difference" N 37 3.962 0.630 3.966 19085
20 1 4 "Average Difference" HA 43 0.279 0.048 0.278 19085
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19085
22 1 4 "Average Difference" CA 24 1.106 -0.157 1.118 19085
23 1 4 "Average Difference" CB 29 3.324 -0.782 3.287 19085
24 1 4 "Average Difference" HN 37 0.374 -0.068 0.373 19085
25 1 5 "Average Difference" N 37 3.861 0.650 3.858 19085
26 1 5 "Average Difference" HA 43 0.282 0.035 0.283 19085
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19085
28 1 5 "Average Difference" CA 24 1.139 -0.043 1.163 19085
29 1 5 "Average Difference" CB 29 3.381 -0.885 3.321 19085
30 1 5 "Average Difference" HN 37 0.413 -0.019 0.418 19085
31 1 6 "Average Difference" N 37 4.102 0.631 4.109 19085
32 1 6 "Average Difference" HA 43 0.301 0.056 0.299 19085
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19085
34 1 6 "Average Difference" CA 24 1.155 -0.083 1.177 19085
35 1 6 "Average Difference" CB 29 3.351 -0.922 3.279 19085
36 1 6 "Average Difference" HN 37 0.443 -0.032 0.447 19085
37 1 7 "Average Difference" N 37 3.792 0.386 3.824 19085
38 1 7 "Average Difference" HA 43 0.278 0.052 0.276 19085
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19085
40 1 7 "Average Difference" CA 24 1.108 0.047 1.131 19085
41 1 7 "Average Difference" CB 29 3.271 -0.802 3.227 19085
42 1 7 "Average Difference" HN 37 0.439 0.009 0.445 19085
43 1 8 "Average Difference" N 37 3.846 0.845 3.804 19085
44 1 8 "Average Difference" HA 43 0.285 0.050 0.284 19085
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19085
46 1 8 "Average Difference" CA 24 1.178 -0.083 1.200 19085
47 1 8 "Average Difference" CB 29 3.257 -0.890 3.189 19085
48 1 8 "Average Difference" HN 37 0.399 -0.038 0.402 19085
49 1 9 "Average Difference" N 37 4.056 0.379 4.094 19085
50 1 9 "Average Difference" HA 43 0.265 0.048 0.263 19085
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19085
52 1 9 "Average Difference" CA 24 1.201 0.031 1.226 19085
53 1 9 "Average Difference" CB 29 3.159 -0.768 3.118 19085
54 1 9 "Average Difference" HN 37 0.430 -0.102 0.423 19085
55 1 10 "Average Difference" N 37 3.691 0.546 3.701 19085
56 1 10 "Average Difference" HA 43 0.303 0.040 0.304 19085
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19085
58 1 10 "Average Difference" CA 24 1.136 -0.145 1.151 19085
59 1 10 "Average Difference" CB 29 3.410 -0.802 3.373 19085
60 1 10 "Average Difference" HN 37 0.417 -0.051 0.420 19085
61 1 11 "Average Difference" N 37 3.860 0.447 3.887 19085
62 1 11 "Average Difference" HA 43 0.291 0.054 0.290 19085
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19085
64 1 11 "Average Difference" CA 24 1.030 -0.253 1.019 19085
65 1 11 "Average Difference" CB 29 3.351 -0.744 3.325 19085
66 1 11 "Average Difference" HN 37 0.445 -0.015 0.451 19085
67 1 12 "Average Difference" N 37 3.865 0.493 3.886 19085
68 1 12 "Average Difference" HA 43 0.293 0.056 0.291 19085
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19085
70 1 12 "Average Difference" CA 24 1.110 -0.156 1.123 19085
71 1 12 "Average Difference" CB 29 3.241 -0.802 3.195 19085
72 1 12 "Average Difference" HN 37 0.436 -0.010 0.442 19085
73 1 13 "Average Difference" N 37 4.154 0.372 4.194 19085
74 1 13 "Average Difference" HA 43 0.297 0.052 0.295 19085
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19085
76 1 13 "Average Difference" CA 24 1.138 -0.173 1.149 19085
77 1 13 "Average Difference" CB 29 3.230 -0.715 3.206 19085
78 1 13 "Average Difference" HN 37 0.374 -0.098 0.366 19085
79 1 14 "Average Difference" N 37 3.678 0.365 3.710 19085
80 1 14 "Average Difference" HA 43 0.292 0.053 0.290 19085
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19085
82 1 14 "Average Difference" CA 24 1.141 -0.093 1.161 19085
83 1 14 "Average Difference" CB 29 3.171 -0.745 3.137 19085
84 1 14 "Average Difference" HN 37 0.425 -0.036 0.429 19085
85 1 15 "Average Difference" N 37 3.746 0.446 3.771 19085
86 1 15 "Average Difference" HA 43 0.305 0.057 0.304 19085
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19085
88 1 15 "Average Difference" CA 24 1.011 -0.321 0.979 19085
89 1 15 "Average Difference" CB 29 3.427 -0.800 3.392 19085
90 1 15 "Average Difference" HN 37 0.423 -0.033 0.428 19085
91 1 16 "Average Difference" N 37 3.635 0.548 3.643 19085
92 1 16 "Average Difference" HA 43 0.288 0.031 0.290 19085
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19085
94 1 16 "Average Difference" CA 24 1.117 -0.075 1.138 19085
95 1 16 "Average Difference" CB 29 3.300 -0.985 3.205 19085
96 1 16 "Average Difference" HN 37 0.393 -0.032 0.397 19085
97 1 17 "Average Difference" N 37 3.810 0.567 3.819 19085
98 1 17 "Average Difference" HA 43 0.339 0.095 0.329 19085
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19085
100 1 17 "Average Difference" CA 24 1.174 -0.161 1.187 19085
101 1 17 "Average Difference" CB 29 3.202 -0.726 3.174 19085
102 1 17 "Average Difference" HN 37 0.389 0.020 0.394 19085
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 19085
_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 2 2 ALA N N 2 126.951 126.951 124.173 2.778 19085
2 1 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.551 -0.250 19085
3 1 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.512 -0.106 19085
4 1 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.451 -0.241 19085
5 1 . 1 1 2 2 ALA H H 2 8.685 8.685 8.385 0.300 19085
6 1 . 1 1 3 3 ALA N N 3 124.358 124.358 121.774 2.584 19085
7 1 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.335 -0.066 19085
8 1 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.352 -0.174 19085
9 1 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.355 -0.010 19085
10 1 . 1 1 3 3 ALA H H 3 8.328 8.328 8.026 0.302 19085
11 1 . 1 1 4 4 VAL N N 4 119.842 119.842 115.348 4.494 19085
12 1 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.302 -0.353 19085
13 1 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.305 -0.135 19085
14 1 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.225 0.401 19085
15 1 . 1 1 4 4 VAL H H 4 8.107 8.107 8.120 -0.013 19085
16 1 . 1 1 5 5 CYS N N 5 121.502 121.502 121.063 0.439 19085
17 1 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.627 0.006 19085
18 1 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.517 6.808 19085
19 1 . 1 1 5 5 CYS H H 5 7.666 7.666 7.848 -0.182 19085
20 1 . 1 1 6 6 THR N N 6 109.529 109.529 115.558 -6.029 19085
21 1 . 1 1 6 6 THR HA H 6 4.674 4.674 4.492 0.182 19085
22 1 . 1 1 6 6 THR H H 6 8.411 8.411 8.163 0.248 19085
23 1 . 1 1 7 7 THR N N 7 112.520 112.520 110.136 2.384 19085
24 1 . 1 1 7 7 THR HA H 7 4.729 4.729 4.383 0.346 19085
25 1 . 1 1 7 7 THR H H 7 8.362 8.362 8.242 0.120 19085
26 1 . 1 1 8 8 GLU N N 8 123.121 123.121 121.793 1.328 19085
27 1 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.332 -0.194 19085
28 1 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.975 1.324 19085
29 1 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.160 -1.127 19085
30 1 . 1 1 8 8 GLU H H 8 7.885 7.885 7.768 0.117 19085
31 1 . 1 1 9 9 TRP N N 9 126.973 126.973 127.896 -0.923 19085
32 1 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.530 0.408 19085
33 1 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.379 -0.074 19085
34 1 . 1 1 9 9 TRP H H 9 8.799 8.799 8.560 0.239 19085
35 1 . 1 1 10 10 ASP N N 10 126.641 126.641 128.708 -2.067 19085
36 1 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.748 -0.092 19085
37 1 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.572 -0.525 19085
38 1 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.168 -3.679 19085
39 1 . 1 1 10 10 ASP H H 10 8.790 8.790 7.942 0.848 19085
40 1 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.740 -0.686 19085
41 1 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.230 0.519 19085
42 1 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.928 1.261 19085
43 1 . 1 1 12 12 VAL N N 12 110.024 110.024 115.621 -5.597 19085
44 1 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.753 -0.306 19085
45 1 . 1 1 12 12 VAL H H 12 8.078 8.078 8.411 -0.333 19085
46 1 . 1 1 13 13 CYS N N 13 120.371 120.371 120.687 -0.316 19085
47 1 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.513 -0.291 19085
48 1 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.006 -3.169 19085
49 1 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.780 8.604 19085
50 1 . 1 1 13 13 CYS H H 13 8.431 8.431 8.864 -0.433 19085
51 1 . 1 1 14 14 GLY N N 14 116.333 116.333 113.716 2.617 19085
52 1 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.255 1.486 19085
53 1 . 1 1 14 14 GLY H H 14 9.577 9.577 9.264 0.313 19085
54 1 . 1 1 15 15 LYS N N 15 122.042 122.042 119.781 2.261 19085
55 1 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.146 -0.142 19085
56 1 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.577 0.507 19085
57 1 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.464 -0.205 19085
58 1 . 1 1 15 15 LYS H H 15 8.838 8.838 8.505 0.333 19085
59 1 . 1 1 16 16 ASP N N 16 116.512 116.512 116.623 -0.111 19085
60 1 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.657 -0.252 19085
61 1 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.113 -0.289 19085
62 1 . 1 1 16 16 ASP H H 16 8.354 8.354 7.971 0.383 19085
63 1 . 1 1 17 17 GLY N N 17 108.685 108.685 107.796 0.889 19085
64 1 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.686 0.044 19085
65 1 . 1 1 17 17 GLY H H 17 8.215 8.215 7.947 0.268 19085
66 1 . 1 1 18 18 LYS N N 18 121.419 121.419 120.756 0.663 19085
67 1 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.473 -0.077 19085
68 1 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.667 0.146 19085
69 1 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.481 0.144 19085
70 1 . 1 1 18 18 LYS H H 18 7.827 7.827 7.923 -0.096 19085
71 1 . 1 1 19 19 THR N N 19 121.800 121.800 119.173 2.627 19085
72 1 . 1 1 19 19 THR HA H 19 4.843 4.843 4.870 -0.027 19085
73 1 . 1 1 19 19 THR CB C 19 69.515 69.515 69.258 0.257 19085
74 1 . 1 1 19 19 THR H H 19 8.344 8.344 8.429 -0.085 19085
75 1 . 1 1 20 20 TYR N N 20 127.910 127.910 126.602 1.308 19085
76 1 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.825 -0.317 19085
77 1 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.819 0.862 19085
78 1 . 1 1 20 20 TYR H H 20 9.355 9.355 9.184 0.171 19085
79 1 . 1 1 21 21 SER N N 21 116.849 116.849 118.265 -1.416 19085
80 1 . 1 1 21 21 SER HA H 21 3.804 3.804 4.089 -0.285 19085
81 1 . 1 1 21 21 SER CA C 21 61.968 61.968 61.204 0.763 19085
82 1 . 1 1 21 21 SER CB C 21 63.517 63.517 63.636 -0.119 19085
83 1 . 1 1 21 21 SER H H 21 9.035 9.035 8.987 0.048 19085
84 1 . 1 1 22 22 ASN N N 22 105.634 105.634 116.643 -11.009 19085
85 1 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.962 -0.149 19085
86 1 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.801 0.279 19085
87 1 . 1 1 22 22 ASN H H 22 7.344 7.344 8.060 -0.716 19085
88 1 . 1 1 23 23 LEU N N 23 118.802 118.802 120.948 -2.146 19085
89 1 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.163 -0.306 19085
90 1 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.326 0.234 19085
91 1 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.894 0.970 19085
92 1 . 1 1 23 23 LEU H H 23 8.832 8.832 8.450 0.382 19085
93 1 . 1 1 24 24 CYS N N 24 119.567 119.567 118.761 0.806 19085
94 1 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.990 0.149 19085
95 1 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.758 -2.136 19085
96 1 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.278 10.015 19085
97 1 . 1 1 24 24 CYS H H 24 8.180 8.180 8.087 0.093 19085
98 1 . 1 1 25 25 TRP N N 25 120.561 120.561 120.210 0.351 19085
99 1 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.419 -0.079 19085
100 1 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.344 0.981 19085
101 1 . 1 1 25 25 TRP H H 25 7.587 7.587 8.187 -0.600 19085
102 1 . 1 1 26 26 LEU N N 26 122.581 122.581 121.050 1.531 19085
103 1 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.851 0.084 19085
104 1 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.336 1.299 19085
105 1 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.129 0.236 19085
106 1 . 1 1 26 26 LEU H H 26 7.312 7.312 7.453 -0.141 19085
107 1 . 1 1 27 27 ASN N N 27 117.645 117.645 117.431 0.214 19085
108 1 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.302 0.109 19085
109 1 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.698 -1.054 19085
110 1 . 1 1 27 27 ASN H H 27 8.444 8.444 8.206 0.238 19085
111 1 . 1 1 28 28 GLU N N 28 121.101 121.101 119.511 1.590 19085
112 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.124 -0.107 19085
113 1 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.464 0.341 19085
114 1 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.401 -1.235 19085
115 1 . 1 1 28 28 GLU H H 28 8.365 8.365 8.214 0.151 19085
116 1 . 1 1 29 29 ALA N N 29 120.397 120.397 119.298 1.099 19085
117 1 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.360 -0.025 19085
118 1 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.289 0.272 19085
119 1 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.026 -0.348 19085
120 1 . 1 1 29 29 ALA H H 29 7.530 7.530 7.697 -0.167 19085
121 1 . 1 1 30 30 GLY N N 30 106.021 106.021 107.249 -1.228 19085
122 1 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.354 0.757 19085
123 1 . 1 1 30 30 GLY H H 30 7.793 7.793 7.623 0.170 19085
124 1 . 1 1 31 31 VAL N N 31 116.550 116.550 120.337 -3.787 19085
125 1 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.156 -0.090 19085
126 1 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.076 -1.142 19085
127 1 . 1 1 31 31 VAL H H 31 6.611 6.611 7.178 -0.567 19085
128 1 . 1 1 32 32 GLY N N 32 110.423 110.423 112.853 -2.430 19085
129 1 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.250 0.322 19085
130 1 . 1 1 32 32 GLY H H 32 8.551 8.551 8.322 0.229 19085
131 1 . 1 1 33 33 LEU N N 33 124.291 124.291 122.357 1.934 19085
132 1 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.167 -0.218 19085
133 1 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.820 0.003 19085
134 1 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.510 -0.440 19085
135 1 . 1 1 33 33 LEU H H 33 8.613 8.613 8.266 0.347 19085
136 1 . 1 1 34 34 ASP N N 34 126.710 126.710 124.417 2.293 19085
137 1 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.700 0.089 19085
138 1 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.406 -1.341 19085
139 1 . 1 1 34 34 ASP H H 34 9.091 9.091 8.668 0.423 19085
140 1 . 1 1 35 35 HIS N N 35 106.163 106.163 118.541 -12.378 19085
141 1 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.902 -0.080 19085
142 1 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.161 -1.811 19085
143 1 . 1 1 35 35 HIS H H 35 7.302 7.302 8.119 -0.817 19085
144 1 . 1 1 36 36 GLU N N 36 120.636 120.636 120.937 -0.301 19085
145 1 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.218 -0.009 19085
146 1 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.141 1.593 19085
147 1 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.861 -1.620 19085
148 1 . 1 1 36 36 GLU H H 36 9.309 9.309 8.738 0.571 19085
149 1 . 1 1 37 37 GLY N N 37 115.205 115.205 111.776 3.429 19085
150 1 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.382 0.168 19085
151 1 . 1 1 37 37 GLY H H 37 8.153 8.153 8.176 -0.023 19085
152 1 . 1 1 38 38 GLU N N 38 112.146 112.146 119.318 -7.172 19085
153 1 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.240 -0.341 19085
154 1 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.091 0.130 19085
155 1 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.705 -1.192 19085
156 1 . 1 1 38 38 GLU H H 38 8.099 8.099 8.406 -0.307 19085
157 1 . 1 1 39 39 CYS N N 39 119.239 119.239 118.972 0.267 19085
158 1 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.895 -0.339 19085
159 1 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.782 7.543 19085
160 1 . 1 1 39 39 CYS H H 39 8.370 8.370 8.801 -0.431 19085
stop_
save_