data_25421
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25421
_Entry.PDB_ID 2MXO
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 25421
_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 GLU N N 2 120.667 120.667 120.225 0.442 25421
2 1 1 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.368 0.058 25421
3 1 1 . 1 1 2 2 GLU C C 2 175.960 175.960 175.975 -0.015 25421
4 1 1 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.630 -0.557 25421
5 1 1 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.279 0.160 25421
6 1 1 . 1 1 2 2 GLU H H 2 8.716 8.716 8.974 -0.258 25421
7 1 1 . 1 1 3 3 CYS N N 3 119.340 119.340 116.692 2.648 25421
8 1 1 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.690 0.132 25421
9 1 1 . 1 1 3 3 CYS C C 3 173.426 173.426 174.554 -1.128 25421
10 1 1 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.583 -1.883 25421
11 1 1 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.496 12.120 25421
12 1 1 . 1 1 3 3 CYS H H 3 8.457 8.457 8.402 0.055 25421
13 1 1 . 1 1 4 4 LYS N N 4 121.064 121.064 122.199 -1.135 25421
14 1 1 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.136 0.190 25421
15 1 1 . 1 1 4 4 LYS C C 4 174.620 174.620 176.995 -2.375 25421
16 1 1 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.780 -1.177 25421
17 1 1 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.949 1.361 25421
18 1 1 . 1 1 4 4 LYS H H 4 8.763 8.763 8.203 0.560 25421
19 1 1 . 1 1 5 5 GLY N N 5 109.502 109.502 107.203 2.299 25421
20 1 1 . 1 1 5 5 GLY C C 5 171.833 171.833 173.421 -1.588 25421
21 1 1 . 1 1 5 5 GLY CA C 5 42.642 42.642 44.963 -2.321 25421
22 1 1 . 1 1 5 5 GLY H H 5 7.983 7.983 7.979 0.004 25421
23 1 1 . 1 1 6 6 PHE N N 6 117.331 117.331 119.294 -1.963 25421
24 1 1 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.898 -1.272 25421
25 1 1 . 1 1 6 6 PHE C C 6 176.435 176.435 174.804 1.631 25421
26 1 1 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.128 -0.215 25421
27 1 1 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.863 -1.780 25421
28 1 1 . 1 1 6 6 PHE H H 6 7.581 7.581 7.556 0.025 25421
29 1 1 . 1 1 7 7 TRP N N 7 123.869 123.869 115.807 8.062 25421
30 1 1 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.477 -0.889 25421
31 1 1 . 1 1 7 7 TRP C C 7 175.204 175.204 175.698 -0.494 25421
32 1 1 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.751 2.769 25421
33 1 1 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.978 -0.691 25421
34 1 1 . 1 1 7 7 TRP H H 7 8.997 8.997 7.038 1.959 25421
35 1 1 . 1 1 8 8 LYS N N 8 118.614 118.614 120.616 -2.002 25421
36 1 1 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.227 0.283 25421
37 1 1 . 1 1 8 8 LYS C C 8 176.595 176.595 176.291 0.304 25421
38 1 1 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.659 -2.675 25421
39 1 1 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.240 0.556 25421
40 1 1 . 1 1 8 8 LYS H H 8 7.719 7.719 7.280 0.439 25421
41 1 1 . 1 1 9 9 SER N N 9 116.747 116.747 113.929 2.818 25421
42 1 1 . 1 1 9 9 SER HA H 9 4.808 4.808 4.865 -0.057 25421
43 1 1 . 1 1 9 9 SER C C 9 172.976 172.976 173.651 -0.675 25421
44 1 1 . 1 1 9 9 SER CA C 9 59.175 59.175 57.069 2.106 25421
45 1 1 . 1 1 9 9 SER CB C 9 63.827 63.827 63.636 0.191 25421
46 1 1 . 1 1 9 9 SER H H 9 8.430 8.430 8.250 0.180 25421
47 1 1 . 1 1 10 10 CYS N N 10 118.508 118.508 121.561 -3.053 25421
48 1 1 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.087 -0.109 25421
49 1 1 . 1 1 10 10 CYS C C 10 172.556 172.556 173.221 -0.665 25421
50 1 1 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.399 -3.121 25421
51 1 1 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.102 15.658 25421
52 1 1 . 1 1 10 10 CYS H H 10 8.142 8.142 7.803 0.339 25421
53 1 1 . 1 1 11 11 VAL N N 11 122.963 122.963 114.727 8.236 25421
54 1 1 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.581 -0.246 25421
55 1 1 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.045 2.279 25421
56 1 1 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.440 0.483 25421
57 1 1 . 1 1 11 11 VAL H H 11 8.835 8.835 8.054 0.781 25421
58 1 1 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.380 -0.437 25421
59 1 1 . 1 1 12 12 PRO C C 12 176.806 176.806 177.875 -1.069 25421
60 1 1 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.579 0.750 25421
61 1 1 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.341 0.448 25421
62 1 1 . 1 1 13 13 GLY N N 13 111.847 111.847 114.252 -2.405 25421
63 1 1 . 1 1 13 13 GLY C C 13 174.856 174.856 175.149 -0.293 25421
64 1 1 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.267 0.029 25421
65 1 1 . 1 1 13 13 GLY H H 13 8.826 8.826 8.714 0.112 25421
66 1 1 . 1 1 14 14 LYS N N 14 117.957 117.957 120.811 -2.854 25421
67 1 1 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.242 0.241 25421
68 1 1 . 1 1 14 14 LYS C C 14 175.718 175.718 176.890 -1.172 25421
69 1 1 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.852 -1.439 25421
70 1 1 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.431 -0.578 25421
71 1 1 . 1 1 14 14 LYS H H 14 7.590 7.590 7.514 0.075 25421
72 1 1 . 1 1 15 15 ASN N N 15 118.663 118.663 115.793 2.870 25421
73 1 1 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.478 0.199 25421
74 1 1 . 1 1 15 15 ASN C C 15 175.372 175.372 175.124 0.248 25421
75 1 1 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.833 -0.211 25421
76 1 1 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.874 0.496 25421
77 1 1 . 1 1 15 15 ASN H H 15 8.473 8.473 8.062 0.411 25421
78 1 1 . 1 1 16 16 GLU N N 16 115.492 115.492 115.271 0.221 25421
79 1 1 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.166 0.138 25421
80 1 1 . 1 1 16 16 GLU C C 16 178.083 178.083 177.395 0.688 25421
81 1 1 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.788 -0.366 25421
82 1 1 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.018 2.508 25421
83 1 1 . 1 1 16 16 GLU H H 16 8.848 8.848 8.743 0.105 25421
84 1 1 . 1 1 17 17 CYS N N 17 117.244 117.244 117.702 -0.458 25421
85 1 1 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.080 1.096 25421
86 1 1 . 1 1 17 17 CYS C C 17 175.716 175.716 175.936 -0.220 25421
87 1 1 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.447 -4.917 25421
88 1 1 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.078 12.996 25421
89 1 1 . 1 1 17 17 CYS H H 17 8.278 8.278 8.198 0.080 25421
90 1 1 . 1 1 18 18 CYS N N 18 121.456 121.456 123.064 -1.608 25421
91 1 1 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.365 0.201 25421
92 1 1 . 1 1 18 18 CYS C C 18 172.720 172.720 175.939 -3.219 25421
93 1 1 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.038 -4.702 25421
94 1 1 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.497 13.646 25421
95 1 1 . 1 1 18 18 CYS H H 18 9.308 9.308 8.475 0.833 25421
96 1 1 . 1 1 19 19 SER N N 19 114.196 114.196 117.285 -3.089 25421
97 1 1 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421
98 1 1 . 1 1 19 19 SER C C 19 175.114 175.114 175.795 -0.681 25421
99 1 1 . 1 1 19 19 SER CA C 19 60.335 60.335 60.328 0.007 25421
100 1 1 . 1 1 19 19 SER CB C 19 63.047 63.047 63.484 -0.437 25421
101 1 1 . 1 1 19 19 SER H H 19 8.461 8.461 8.562 -0.101 25421
102 1 1 . 1 1 20 20 GLY N N 20 113.736 113.736 113.478 0.258 25421
103 1 1 . 1 1 20 20 GLY C C 20 173.468 173.468 174.107 -0.639 25421
104 1 1 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.848 -0.266 25421
105 1 1 . 1 1 20 20 GLY H H 20 8.836 8.836 8.660 0.176 25421
106 1 1 . 1 1 21 21 TYR N N 21 118.820 118.820 121.084 -2.264 25421
107 1 1 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.834 0.435 25421
108 1 1 . 1 1 21 21 TYR C C 21 174.011 174.011 174.661 -0.650 25421
109 1 1 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.370 -1.315 25421
110 1 1 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.545 2.114 25421
111 1 1 . 1 1 21 21 TYR H H 21 8.276 8.276 7.936 0.340 25421
112 1 1 . 1 1 22 22 ALA N N 22 120.868 120.868 124.571 -3.703 25421
113 1 1 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.727 -0.074 25421
114 1 1 . 1 1 22 22 ALA C C 22 176.439 176.439 175.278 1.161 25421
115 1 1 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.043 0.928 25421
116 1 1 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.140 0.966 25421
117 1 1 . 1 1 22 22 ALA H H 22 9.357 9.357 8.336 1.021 25421
118 1 1 . 1 1 23 23 CYS N N 23 122.679 122.679 118.226 4.453 25421
119 1 1 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.172 -0.607 25421
120 1 1 . 1 1 23 23 CYS C C 23 174.530 174.530 174.871 -0.341 25421
121 1 1 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.306 -2.603 25421
122 1 1 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.423 12.417 25421
123 1 1 . 1 1 23 23 CYS H H 23 8.917 8.917 8.690 0.227 25421
124 1 1 . 1 1 24 24 SER N N 24 123.845 123.845 120.533 3.312 25421
125 1 1 . 1 1 24 24 SER HA H 24 4.455 4.455 4.885 -0.430 25421
126 1 1 . 1 1 24 24 SER C C 24 175.964 175.964 174.588 1.376 25421
127 1 1 . 1 1 24 24 SER CA C 24 57.449 57.449 57.102 0.347 25421
128 1 1 . 1 1 24 24 SER CB C 24 63.616 63.616 64.522 -0.906 25421
129 1 1 . 1 1 24 24 SER H H 24 8.057 8.057 8.638 -0.581 25421
130 1 1 . 1 1 25 25 SER N N 25 124.964 124.964 123.643 1.321 25421
131 1 1 . 1 1 25 25 SER HA H 25 3.977 3.977 4.217 -0.240 25421
132 1 1 . 1 1 25 25 SER C C 25 174.925 174.925 175.582 -0.657 25421
133 1 1 . 1 1 25 25 SER CA C 25 61.411 61.411 59.734 1.677 25421
134 1 1 . 1 1 25 25 SER CB C 25 62.650 62.650 63.257 -0.607 25421
135 1 1 . 1 1 25 25 SER H H 25 9.029 9.029 9.040 -0.011 25421
136 1 1 . 1 1 26 26 ARG N N 26 119.221 119.221 119.961 -0.740 25421
137 1 1 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.048 0.077 25421
138 1 1 . 1 1 26 26 ARG C C 26 177.031 177.031 176.779 0.252 25421
139 1 1 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.386 -0.451 25421
140 1 1 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.333 0.787 25421
141 1 1 . 1 1 26 26 ARG H H 26 7.880 7.880 8.187 -0.307 25421
142 1 1 . 1 1 27 27 ASP N N 27 115.090 115.090 115.120 -0.030 25421
143 1 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.353 -0.080 25421
144 1 1 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.271 1.286 25421
145 1 1 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.808 0.147 25421
146 1 1 . 1 1 27 27 ASP H H 27 7.396 7.396 7.494 -0.098 25421
147 1 1 . 1 1 28 28 LYS N N 28 114.145 114.145 116.439 -2.294 25421
148 1 1 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.937 -0.095 25421
149 1 1 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.369 0.117 25421
150 1 1 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.123 -2.057 25421
151 1 1 . 1 1 28 28 LYS H H 28 8.096 8.096 7.866 0.230 25421
152 1 1 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.449 -0.052 25421
153 1 1 . 1 1 29 29 TRP C C 29 177.187 177.187 175.032 2.155 25421
154 1 1 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.204 2.500 25421
155 1 1 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.058 1.221 25421
156 1 1 . 1 1 30 30 CYS N N 30 119.238 119.238 119.118 0.120 25421
157 1 1 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.074 -0.178 25421
158 1 1 . 1 1 30 30 CYS C C 30 174.364 174.364 174.773 -0.409 25421
159 1 1 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.200 -2.615 25421
160 1 1 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.613 10.593 25421
161 1 1 . 1 1 30 30 CYS H H 30 8.447 8.447 8.202 0.245 25421
162 1 1 . 1 1 31 31 LYS N N 31 124.793 124.793 120.470 4.323 25421
163 1 1 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.921 0.120 25421
164 1 1 . 1 1 31 31 LYS C C 31 175.662 175.662 175.040 0.622 25421
165 1 1 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.264 0.911 25421
166 1 1 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.026 -0.151 25421
167 1 1 . 1 1 31 31 LYS H H 31 9.191 9.191 8.823 0.368 25421
168 1 1 . 1 1 32 32 VAL N N 32 121.483 121.483 121.426 0.057 25421
169 1 1 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.847 -0.026 25421
170 1 1 . 1 1 32 32 VAL C C 32 175.973 175.973 174.829 1.144 25421
171 1 1 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.729 3.344 25421
172 1 1 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.826 -1.458 25421
173 1 1 . 1 1 32 32 VAL H H 32 8.424 8.424 8.556 -0.133 25421
174 1 1 . 1 1 33 33 LEU N N 33 128.865 128.865 128.720 0.145 25421
175 1 1 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.205 0.102 25421
176 1 1 . 1 1 33 33 LEU C C 33 175.217 175.217 177.625 -2.408 25421
177 1 1 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.627 -0.312 25421
178 1 1 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.395 1.194 25421
179 1 1 . 1 1 33 33 LEU H H 33 8.045 8.045 8.207 -0.162 25421
180 1 2 . 1 1 2 2 GLU N N 2 120.667 120.667 120.162 0.505 25421
181 1 2 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.647 -0.221 25421
182 1 2 . 1 1 2 2 GLU C C 2 175.960 175.960 175.928 0.032 25421
183 1 2 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.865 0.208 25421
184 1 2 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.237 -0.798 25421
185 1 2 . 1 1 2 2 GLU H H 2 8.716 8.716 8.184 0.532 25421
186 1 2 . 1 1 3 3 CYS N N 3 119.340 119.340 119.343 -0.003 25421
187 1 2 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.522 0.300 25421
188 1 2 . 1 1 3 3 CYS C C 3 173.426 173.426 175.256 -1.830 25421
189 1 2 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.464 -2.764 25421
190 1 2 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.316 14.300 25421
191 1 2 . 1 1 3 3 CYS H H 3 8.457 8.457 8.465 -0.008 25421
192 1 2 . 1 1 4 4 LYS N N 4 121.064 121.064 123.414 -2.350 25421
193 1 2 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.189 0.137 25421
194 1 2 . 1 1 4 4 LYS C C 4 174.620 174.620 177.245 -2.625 25421
195 1 2 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.820 -1.217 25421
196 1 2 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.001 1.309 25421
197 1 2 . 1 1 4 4 LYS H H 4 8.763 8.763 8.265 0.498 25421
198 1 2 . 1 1 5 5 GLY N N 5 109.502 109.502 107.423 2.079 25421
199 1 2 . 1 1 5 5 GLY C C 5 171.833 171.833 173.771 -1.938 25421
200 1 2 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.318 -2.676 25421
201 1 2 . 1 1 5 5 GLY H H 5 7.983 7.983 8.205 -0.222 25421
202 1 2 . 1 1 6 6 PHE N N 6 117.331 117.331 118.946 -1.615 25421
203 1 2 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.953 -1.327 25421
204 1 2 . 1 1 6 6 PHE C C 6 176.435 176.435 175.467 0.968 25421
205 1 2 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.343 -0.430 25421
206 1 2 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.258 -2.175 25421
207 1 2 . 1 1 6 6 PHE H H 6 7.581 7.581 8.213 -0.632 25421
208 1 2 . 1 1 7 7 TRP N N 7 123.869 123.869 119.979 3.890 25421
209 1 2 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.350 -0.762 25421
210 1 2 . 1 1 7 7 TRP C C 7 175.204 175.204 175.862 -0.658 25421
211 1 2 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.509 1.011 25421
212 1 2 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.126 -1.839 25421
213 1 2 . 1 1 7 7 TRP H H 7 8.997 8.997 8.015 0.982 25421
214 1 2 . 1 1 8 8 LYS N N 8 118.614 118.614 119.070 -0.456 25421
215 1 2 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.225 0.285 25421
216 1 2 . 1 1 8 8 LYS C C 8 176.595 176.595 175.769 0.826 25421
217 1 2 . 1 1 8 8 LYS CA C 8 53.984 53.984 57.009 -3.025 25421
218 1 2 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.692 0.104 25421
219 1 2 . 1 1 8 8 LYS H H 8 7.719 7.719 7.822 -0.103 25421
220 1 2 . 1 1 9 9 SER N N 9 116.747 116.747 113.803 2.944 25421
221 1 2 . 1 1 9 9 SER HA H 9 4.808 4.808 4.931 -0.123 25421
222 1 2 . 1 1 9 9 SER C C 9 172.976 172.976 173.647 -0.671 25421
223 1 2 . 1 1 9 9 SER CA C 9 59.175 59.175 57.097 2.078 25421
224 1 2 . 1 1 9 9 SER CB C 9 63.827 63.827 63.685 0.142 25421
225 1 2 . 1 1 9 9 SER H H 9 8.430 8.430 8.250 0.180 25421
226 1 2 . 1 1 10 10 CYS N N 10 118.508 118.508 120.429 -1.921 25421
227 1 2 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.898 0.080 25421
228 1 2 . 1 1 10 10 CYS C C 10 172.556 172.556 173.561 -1.005 25421
229 1 2 . 1 1 10 10 CYS CA C 10 53.278 53.278 55.983 -2.705 25421
230 1 2 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.645 16.115 25421
231 1 2 . 1 1 10 10 CYS H H 10 8.142 8.142 8.420 -0.278 25421
232 1 2 . 1 1 11 11 VAL N N 11 122.963 122.963 115.551 7.412 25421
233 1 2 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.617 -0.282 25421
234 1 2 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.506 0.818 25421
235 1 2 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.912 0.011 25421
236 1 2 . 1 1 11 11 VAL H H 11 8.835 8.835 8.367 0.468 25421
237 1 2 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.404 -0.461 25421
238 1 2 . 1 1 12 12 PRO C C 12 176.806 176.806 177.721 -0.915 25421
239 1 2 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.987 0.342 25421
240 1 2 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.246 0.543 25421
241 1 2 . 1 1 13 13 GLY N N 13 111.847 111.847 112.912 -1.065 25421
242 1 2 . 1 1 13 13 GLY C C 13 174.856 174.856 175.020 -0.164 25421
243 1 2 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.057 0.239 25421
244 1 2 . 1 1 13 13 GLY H H 13 8.826 8.826 8.602 0.224 25421
245 1 2 . 1 1 14 14 LYS N N 14 117.957 117.957 120.704 -2.747 25421
246 1 2 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.310 0.173 25421
247 1 2 . 1 1 14 14 LYS C C 14 175.718 175.718 176.946 -1.228 25421
248 1 2 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.493 -1.080 25421
249 1 2 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.459 -0.606 25421
250 1 2 . 1 1 14 14 LYS H H 14 7.590 7.590 7.632 -0.042 25421
251 1 2 . 1 1 15 15 ASN N N 15 118.663 118.663 117.334 1.329 25421
252 1 2 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.469 0.208 25421
253 1 2 . 1 1 15 15 ASN C C 15 175.372 175.372 175.140 0.232 25421
254 1 2 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.719 -0.097 25421
255 1 2 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.588 -0.217 25421
256 1 2 . 1 1 15 15 ASN H H 15 8.473 8.473 8.019 0.454 25421
257 1 2 . 1 1 16 16 GLU N N 16 115.492 115.492 115.454 0.038 25421
258 1 2 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.152 0.152 25421
259 1 2 . 1 1 16 16 GLU C C 16 178.083 178.083 177.294 0.789 25421
260 1 2 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.140 -0.718 25421
261 1 2 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.913 2.612 25421
262 1 2 . 1 1 16 16 GLU H H 16 8.848 8.848 8.584 0.264 25421
263 1 2 . 1 1 17 17 CYS N N 17 117.244 117.244 117.422 -0.178 25421
264 1 2 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.143 1.033 25421
265 1 2 . 1 1 17 17 CYS C C 17 175.716 175.716 176.026 -0.310 25421
266 1 2 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.284 -4.754 25421
267 1 2 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.004 13.070 25421
268 1 2 . 1 1 17 17 CYS H H 17 8.278 8.278 8.169 0.109 25421
269 1 2 . 1 1 18 18 CYS N N 18 121.456 121.456 123.445 -1.989 25421
270 1 2 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.381 0.185 25421
271 1 2 . 1 1 18 18 CYS C C 18 172.720 172.720 175.980 -3.260 25421
272 1 2 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.133 -4.797 25421
273 1 2 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.512 13.631 25421
274 1 2 . 1 1 18 18 CYS H H 18 9.308 9.308 8.527 0.781 25421
275 1 2 . 1 1 19 19 SER N N 19 114.196 114.196 117.279 -3.083 25421
276 1 2 . 1 1 19 19 SER HA H 19 4.273 4.273 4.270 0.003 25421
277 1 2 . 1 1 19 19 SER C C 19 175.114 175.114 175.800 -0.686 25421
278 1 2 . 1 1 19 19 SER CA C 19 60.335 60.335 60.482 -0.147 25421
279 1 2 . 1 1 19 19 SER CB C 19 63.047 63.047 63.456 -0.409 25421
280 1 2 . 1 1 19 19 SER H H 19 8.461 8.461 8.564 -0.103 25421
281 1 2 . 1 1 20 20 GLY N N 20 113.736 113.736 113.675 0.061 25421
282 1 2 . 1 1 20 20 GLY C C 20 173.468 173.468 174.192 -0.724 25421
283 1 2 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.931 -0.349 25421
284 1 2 . 1 1 20 20 GLY H H 20 8.836 8.836 8.848 -0.012 25421
285 1 2 . 1 1 21 21 TYR N N 21 118.820 118.820 121.069 -2.249 25421
286 1 2 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.852 0.417 25421
287 1 2 . 1 1 21 21 TYR C C 21 174.011 174.011 174.660 -0.649 25421
288 1 2 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.392 -1.337 25421
289 1 2 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.613 2.046 25421
290 1 2 . 1 1 21 21 TYR H H 21 8.276 8.276 7.984 0.292 25421
291 1 2 . 1 1 22 22 ALA N N 22 120.868 120.868 124.081 -3.213 25421
292 1 2 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.657 -0.004 25421
293 1 2 . 1 1 22 22 ALA C C 22 176.439 176.439 174.942 1.497 25421
294 1 2 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.877 0.094 25421
295 1 2 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.598 1.508 25421
296 1 2 . 1 1 22 22 ALA H H 22 9.357 9.357 8.400 0.957 25421
297 1 2 . 1 1 23 23 CYS N N 23 122.679 122.679 118.144 4.535 25421
298 1 2 . 1 1 23 23 CYS HA H 23 4.565 4.565 4.973 -0.408 25421
299 1 2 . 1 1 23 23 CYS C C 23 174.530 174.530 174.811 -0.281 25421
300 1 2 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.281 -2.577 25421
301 1 2 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.474 12.366 25421
302 1 2 . 1 1 23 23 CYS H H 23 8.917 8.917 8.418 0.499 25421
303 1 2 . 1 1 24 24 SER N N 24 123.845 123.845 120.536 3.309 25421
304 1 2 . 1 1 24 24 SER HA H 24 4.455 4.455 4.952 -0.497 25421
305 1 2 . 1 1 24 24 SER C C 24 175.964 175.964 174.929 1.035 25421
306 1 2 . 1 1 24 24 SER CA C 24 57.449 57.449 56.941 0.508 25421
307 1 2 . 1 1 24 24 SER CB C 24 63.616 63.616 64.437 -0.821 25421
308 1 2 . 1 1 24 24 SER H H 24 8.057 8.057 8.562 -0.505 25421
309 1 2 . 1 1 25 25 SER N N 25 124.964 124.964 123.877 1.087 25421
310 1 2 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.257 25421
311 1 2 . 1 1 25 25 SER C C 25 174.925 174.925 175.455 -0.530 25421
312 1 2 . 1 1 25 25 SER CA C 25 61.411 61.411 59.769 1.642 25421
313 1 2 . 1 1 25 25 SER CB C 25 62.650 62.650 63.424 -0.774 25421
314 1 2 . 1 1 25 25 SER H H 25 9.029 9.029 8.989 0.040 25421
315 1 2 . 1 1 26 26 ARG N N 26 119.221 119.221 120.219 -0.998 25421
316 1 2 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.031 0.094 25421
317 1 2 . 1 1 26 26 ARG C C 26 177.031 177.031 176.300 0.731 25421
318 1 2 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.349 -0.414 25421
319 1 2 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.908 1.212 25421
320 1 2 . 1 1 26 26 ARG H H 26 7.880 7.880 8.197 -0.317 25421
321 1 2 . 1 1 27 27 ASP N N 27 115.090 115.090 115.165 -0.075 25421
322 1 2 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.278 -0.005 25421
323 1 2 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.196 1.361 25421
324 1 2 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.881 0.074 25421
325 1 2 . 1 1 27 27 ASP H H 27 7.396 7.396 7.380 0.016 25421
326 1 2 . 1 1 28 28 LYS N N 28 114.145 114.145 116.911 -2.766 25421
327 1 2 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.880 -0.038 25421
328 1 2 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.270 0.216 25421
329 1 2 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.015 -1.949 25421
330 1 2 . 1 1 28 28 LYS H H 28 8.096 8.096 7.882 0.214 25421
331 1 2 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.343 0.054 25421
332 1 2 . 1 1 29 29 TRP C C 29 177.187 177.187 174.926 2.261 25421
333 1 2 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.118 2.586 25421
334 1 2 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.844 1.435 25421
335 1 2 . 1 1 30 30 CYS N N 30 119.238 119.238 119.043 0.195 25421
336 1 2 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.074 -0.178 25421
337 1 2 . 1 1 30 30 CYS C C 30 174.364 174.364 174.763 -0.399 25421
338 1 2 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.144 -2.558 25421
339 1 2 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.731 10.475 25421
340 1 2 . 1 1 30 30 CYS H H 30 8.447 8.447 8.066 0.381 25421
341 1 2 . 1 1 31 31 LYS N N 31 124.793 124.793 120.824 3.969 25421
342 1 2 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.904 0.137 25421
343 1 2 . 1 1 31 31 LYS C C 31 175.662 175.662 174.910 0.752 25421
344 1 2 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.132 1.044 25421
345 1 2 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.954 -0.079 25421
346 1 2 . 1 1 31 31 LYS H H 31 9.191 9.191 8.853 0.338 25421
347 1 2 . 1 1 32 32 VAL N N 32 121.483 121.483 122.259 -0.776 25421
348 1 2 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.902 -0.081 25421
349 1 2 . 1 1 32 32 VAL C C 32 175.973 175.973 174.880 1.093 25421
350 1 2 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.353 4.720 25421
351 1 2 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.332 -0.964 25421
352 1 2 . 1 1 32 32 VAL H H 32 8.424 8.424 8.581 -0.157 25421
353 1 2 . 1 1 33 33 LEU N N 33 128.865 128.865 129.641 -0.776 25421
354 1 2 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.231 0.076 25421
355 1 2 . 1 1 33 33 LEU C C 33 175.217 175.217 176.904 -1.687 25421
356 1 2 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.360 -0.045 25421
357 1 2 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.058 0.531 25421
358 1 2 . 1 1 33 33 LEU H H 33 8.045 8.045 8.217 -0.172 25421
359 1 3 . 1 1 2 2 GLU N N 2 120.667 120.667 119.755 0.912 25421
360 1 3 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.448 -0.022 25421
361 1 3 . 1 1 2 2 GLU C C 2 175.960 175.960 175.865 0.095 25421
362 1 3 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.470 -0.397 25421
363 1 3 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.322 0.117 25421
364 1 3 . 1 1 2 2 GLU H H 2 8.716 8.716 8.944 -0.228 25421
365 1 3 . 1 1 3 3 CYS N N 3 119.340 119.340 117.672 1.668 25421
366 1 3 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.657 0.165 25421
367 1 3 . 1 1 3 3 CYS C C 3 173.426 173.426 174.543 -1.117 25421
368 1 3 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.343 -1.643 25421
369 1 3 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.284 12.332 25421
370 1 3 . 1 1 3 3 CYS H H 3 8.457 8.457 8.441 0.016 25421
371 1 3 . 1 1 4 4 LYS N N 4 121.064 121.064 122.278 -1.214 25421
372 1 3 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.144 0.182 25421
373 1 3 . 1 1 4 4 LYS C C 4 174.620 174.620 176.968 -2.348 25421
374 1 3 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.689 -1.086 25421
375 1 3 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.947 1.363 25421
376 1 3 . 1 1 4 4 LYS H H 4 8.763 8.763 8.207 0.556 25421
377 1 3 . 1 1 5 5 GLY N N 5 109.502 109.502 107.205 2.297 25421
378 1 3 . 1 1 5 5 GLY C C 5 171.833 171.833 173.500 -1.667 25421
379 1 3 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.018 -2.376 25421
380 1 3 . 1 1 5 5 GLY H H 5 7.983 7.983 7.972 0.011 25421
381 1 3 . 1 1 6 6 PHE N N 6 117.331 117.331 119.547 -2.216 25421
382 1 3 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.889 -1.263 25421
383 1 3 . 1 1 6 6 PHE C C 6 176.435 176.435 174.929 1.506 25421
384 1 3 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.115 -0.202 25421
385 1 3 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.933 -1.850 25421
386 1 3 . 1 1 6 6 PHE H H 6 7.581 7.581 7.725 -0.144 25421
387 1 3 . 1 1 7 7 TRP N N 7 123.869 123.869 116.705 7.164 25421
388 1 3 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.575 -0.987 25421
389 1 3 . 1 1 7 7 TRP C C 7 175.204 175.204 175.682 -0.478 25421
390 1 3 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.800 2.720 25421
391 1 3 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.953 -0.666 25421
392 1 3 . 1 1 7 7 TRP H H 7 8.997 8.997 7.304 1.692 25421
393 1 3 . 1 1 8 8 LYS N N 8 118.614 118.614 121.486 -2.872 25421
394 1 3 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.226 0.283 25421
395 1 3 . 1 1 8 8 LYS C C 8 176.595 176.595 176.052 0.543 25421
396 1 3 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.241 -2.257 25421
397 1 3 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.856 -0.060 25421
398 1 3 . 1 1 8 8 LYS H H 8 7.719 7.719 7.299 0.420 25421
399 1 3 . 1 1 9 9 SER N N 9 116.747 116.747 114.642 2.105 25421
400 1 3 . 1 1 9 9 SER HA H 9 4.808 4.808 4.859 -0.051 25421
401 1 3 . 1 1 9 9 SER C C 9 172.976 172.976 173.209 -0.233 25421
402 1 3 . 1 1 9 9 SER CA C 9 59.175 59.175 57.569 1.605 25421
403 1 3 . 1 1 9 9 SER CB C 9 63.827 63.827 63.815 0.012 25421
404 1 3 . 1 1 9 9 SER H H 9 8.430 8.430 8.297 0.133 25421
405 1 3 . 1 1 10 10 CYS N N 10 118.508 118.508 121.371 -2.863 25421
406 1 3 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.183 -0.205 25421
407 1 3 . 1 1 10 10 CYS C C 10 172.556 172.556 173.150 -0.594 25421
408 1 3 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.118 -2.841 25421
409 1 3 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.276 15.484 25421
410 1 3 . 1 1 10 10 CYS H H 10 8.142 8.142 7.903 0.239 25421
411 1 3 . 1 1 11 11 VAL N N 11 122.963 122.963 114.948 8.015 25421
412 1 3 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.693 -0.358 25421
413 1 3 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.716 1.608 25421
414 1 3 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.359 0.564 25421
415 1 3 . 1 1 11 11 VAL H H 11 8.835 8.835 8.376 0.459 25421
416 1 3 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.435 -0.492 25421
417 1 3 . 1 1 12 12 PRO C C 12 176.806 176.806 177.659 -0.853 25421
418 1 3 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.000 0.329 25421
419 1 3 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.470 0.319 25421
420 1 3 . 1 1 13 13 GLY N N 13 111.847 111.847 112.963 -1.116 25421
421 1 3 . 1 1 13 13 GLY C C 13 174.856 174.856 175.029 -0.173 25421
422 1 3 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.060 0.236 25421
423 1 3 . 1 1 13 13 GLY H H 13 8.826 8.826 8.609 0.217 25421
424 1 3 . 1 1 14 14 LYS N N 14 117.957 117.957 121.134 -3.177 25421
425 1 3 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.320 0.163 25421
426 1 3 . 1 1 14 14 LYS C C 14 175.718 175.718 176.850 -1.132 25421
427 1 3 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.518 -1.105 25421
428 1 3 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.443 -0.590 25421
429 1 3 . 1 1 14 14 LYS H H 14 7.590 7.590 7.641 -0.051 25421
430 1 3 . 1 1 15 15 ASN N N 15 118.663 118.663 117.250 1.413 25421
431 1 3 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.474 0.203 25421
432 1 3 . 1 1 15 15 ASN C C 15 175.372 175.372 175.311 0.061 25421
433 1 3 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.588 0.034 25421
434 1 3 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.039 0.332 25421
435 1 3 . 1 1 15 15 ASN H H 15 8.473 8.473 8.017 0.456 25421
436 1 3 . 1 1 16 16 GLU N N 16 115.492 115.492 114.794 0.698 25421
437 1 3 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.098 0.206 25421
438 1 3 . 1 1 16 16 GLU C C 16 178.083 178.083 177.244 0.839 25421
439 1 3 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.164 -0.742 25421
440 1 3 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.879 2.647 25421
441 1 3 . 1 1 16 16 GLU H H 16 8.848 8.848 8.633 0.215 25421
442 1 3 . 1 1 17 17 CYS N N 17 117.244 117.244 117.156 0.088 25421
443 1 3 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.092 1.084 25421
444 1 3 . 1 1 17 17 CYS C C 17 175.716 175.716 176.002 -0.286 25421
445 1 3 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.196 -4.666 25421
446 1 3 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.057 13.017 25421
447 1 3 . 1 1 17 17 CYS H H 17 8.278 8.278 8.120 0.158 25421
448 1 3 . 1 1 18 18 CYS N N 18 121.456 121.456 123.011 -1.555 25421
449 1 3 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.366 0.200 25421
450 1 3 . 1 1 18 18 CYS C C 18 172.720 172.720 175.937 -3.217 25421
451 1 3 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.067 -4.731 25421
452 1 3 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.529 13.614 25421
453 1 3 . 1 1 18 18 CYS H H 18 9.308 9.308 8.482 0.827 25421
454 1 3 . 1 1 19 19 SER N N 19 114.196 114.196 117.294 -3.098 25421
455 1 3 . 1 1 19 19 SER HA H 19 4.273 4.273 4.267 0.006 25421
456 1 3 . 1 1 19 19 SER C C 19 175.114 175.114 175.783 -0.669 25421
457 1 3 . 1 1 19 19 SER CA C 19 60.335 60.335 60.368 -0.033 25421
458 1 3 . 1 1 19 19 SER CB C 19 63.047 63.047 63.468 -0.420 25421
459 1 3 . 1 1 19 19 SER H H 19 8.461 8.461 8.571 -0.110 25421
460 1 3 . 1 1 20 20 GLY N N 20 113.736 113.736 113.484 0.252 25421
461 1 3 . 1 1 20 20 GLY C C 20 173.468 173.468 174.122 -0.654 25421
462 1 3 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.851 -0.269 25421
463 1 3 . 1 1 20 20 GLY H H 20 8.836 8.836 8.661 0.175 25421
464 1 3 . 1 1 21 21 TYR N N 21 118.820 118.820 121.168 -2.348 25421
465 1 3 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.832 0.437 25421
466 1 3 . 1 1 21 21 TYR C C 21 174.011 174.011 174.625 -0.614 25421
467 1 3 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.371 -1.316 25421
468 1 3 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.536 2.123 25421
469 1 3 . 1 1 21 21 TYR H H 21 8.276 8.276 8.011 0.265 25421
470 1 3 . 1 1 22 22 ALA N N 22 120.868 120.868 123.756 -2.888 25421
471 1 3 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.659 -0.006 25421
472 1 3 . 1 1 22 22 ALA C C 22 176.439 176.439 175.218 1.221 25421
473 1 3 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.615 0.356 25421
474 1 3 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.647 1.459 25421
475 1 3 . 1 1 22 22 ALA H H 22 9.357 9.357 8.301 1.056 25421
476 1 3 . 1 1 23 23 CYS N N 23 122.679 122.679 118.053 4.626 25421
477 1 3 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.107 -0.542 25421
478 1 3 . 1 1 23 23 CYS C C 23 174.530 174.530 174.823 -0.293 25421
479 1 3 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.259 -2.555 25421
480 1 3 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.496 12.344 25421
481 1 3 . 1 1 23 23 CYS H H 23 8.917 8.917 8.414 0.503 25421
482 1 3 . 1 1 24 24 SER N N 24 123.845 123.845 120.491 3.354 25421
483 1 3 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421
484 1 3 . 1 1 24 24 SER C C 24 175.964 175.964 174.963 1.001 25421
485 1 3 . 1 1 24 24 SER CA C 24 57.449 57.449 56.980 0.469 25421
486 1 3 . 1 1 24 24 SER CB C 24 63.616 63.616 64.493 -0.877 25421
487 1 3 . 1 1 24 24 SER H H 24 8.057 8.057 8.685 -0.628 25421
488 1 3 . 1 1 25 25 SER N N 25 124.964 124.964 124.180 0.784 25421
489 1 3 . 1 1 25 25 SER HA H 25 3.977 3.977 4.214 -0.237 25421
490 1 3 . 1 1 25 25 SER C C 25 174.925 174.925 175.705 -0.780 25421
491 1 3 . 1 1 25 25 SER CA C 25 61.411 61.411 59.938 1.474 25421
492 1 3 . 1 1 25 25 SER CB C 25 62.650 62.650 63.443 -0.793 25421
493 1 3 . 1 1 25 25 SER H H 25 9.029 9.029 9.067 -0.038 25421
494 1 3 . 1 1 26 26 ARG N N 26 119.221 119.221 120.353 -1.132 25421
495 1 3 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.033 0.092 25421
496 1 3 . 1 1 26 26 ARG C C 26 177.031 177.031 177.037 -0.006 25421
497 1 3 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.535 -0.600 25421
498 1 3 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.305 0.815 25421
499 1 3 . 1 1 26 26 ARG H H 26 7.880 7.880 8.344 -0.464 25421
500 1 3 . 1 1 27 27 ASP N N 27 115.090 115.090 114.691 0.399 25421
501 1 3 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.378 -0.105 25421
502 1 3 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.987 1.570 25421
503 1 3 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.947 0.008 25421
504 1 3 . 1 1 27 27 ASP H H 27 7.396 7.396 7.512 -0.116 25421
505 1 3 . 1 1 28 28 LYS N N 28 114.145 114.145 117.247 -3.102 25421
506 1 3 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.006 -0.164 25421
507 1 3 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.393 0.093 25421
508 1 3 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.117 -2.051 25421
509 1 3 . 1 1 28 28 LYS H H 28 8.096 8.096 7.897 0.199 25421
510 1 3 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.391 0.006 25421
511 1 3 . 1 1 29 29 TRP C C 29 177.187 177.187 174.828 2.359 25421
512 1 3 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.246 2.458 25421
513 1 3 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.046 1.233 25421
514 1 3 . 1 1 30 30 CYS N N 30 119.238 119.238 119.026 0.212 25421
515 1 3 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.185 -0.289 25421
516 1 3 . 1 1 30 30 CYS C C 30 174.364 174.364 174.687 -0.323 25421
517 1 3 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.203 -2.618 25421
518 1 3 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.727 10.479 25421
519 1 3 . 1 1 30 30 CYS H H 30 8.447 8.447 8.208 0.239 25421
520 1 3 . 1 1 31 31 LYS N N 31 124.793 124.793 119.860 4.933 25421
521 1 3 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.928 0.113 25421
522 1 3 . 1 1 31 31 LYS C C 31 175.662 175.662 174.813 0.849 25421
523 1 3 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.601 0.575 25421
524 1 3 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.927 -0.052 25421
525 1 3 . 1 1 31 31 LYS H H 31 9.191 9.191 8.739 0.452 25421
526 1 3 . 1 1 32 32 VAL N N 32 121.483 121.483 121.623 -0.140 25421
527 1 3 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.877 -0.056 25421
528 1 3 . 1 1 32 32 VAL C C 32 175.973 175.973 174.623 1.350 25421
529 1 3 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.837 4.236 25421
530 1 3 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.809 -1.442 25421
531 1 3 . 1 1 32 32 VAL H H 32 8.424 8.424 8.547 -0.123 25421
532 1 3 . 1 1 33 33 LEU N N 33 128.865 128.865 128.876 -0.011 25421
533 1 3 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.220 0.087 25421
534 1 3 . 1 1 33 33 LEU C C 33 175.217 175.217 177.146 -1.929 25421
535 1 3 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.553 -0.238 25421
536 1 3 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.032 0.557 25421
537 1 3 . 1 1 33 33 LEU H H 33 8.045 8.045 8.248 -0.203 25421
538 1 4 . 1 1 2 2 GLU N N 2 120.667 120.667 119.636 1.031 25421
539 1 4 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.840 -0.414 25421
540 1 4 . 1 1 2 2 GLU C C 2 175.960 175.960 174.873 1.087 25421
541 1 4 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.037 0.036 25421
542 1 4 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.848 -0.409 25421
543 1 4 . 1 1 2 2 GLU H H 2 8.716 8.716 8.963 -0.247 25421
544 1 4 . 1 1 3 3 CYS N N 3 119.340 119.340 118.852 0.488 25421
545 1 4 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.764 0.058 25421
546 1 4 . 1 1 3 3 CYS C C 3 173.426 173.426 174.596 -1.170 25421
547 1 4 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.055 -2.355 25421
548 1 4 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.212 12.404 25421
549 1 4 . 1 1 3 3 CYS H H 3 8.457 8.457 8.398 0.059 25421
550 1 4 . 1 1 4 4 LYS N N 4 121.064 121.064 123.092 -2.028 25421
551 1 4 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.293 0.033 25421
552 1 4 . 1 1 4 4 LYS C C 4 174.620 174.620 176.873 -2.253 25421
553 1 4 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.631 -1.028 25421
554 1 4 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.048 1.262 25421
555 1 4 . 1 1 4 4 LYS H H 4 8.763 8.763 8.418 0.345 25421
556 1 4 . 1 1 5 5 GLY N N 5 109.502 109.502 107.479 2.023 25421
557 1 4 . 1 1 5 5 GLY C C 5 171.833 171.833 173.798 -1.965 25421
558 1 4 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.326 -2.684 25421
559 1 4 . 1 1 5 5 GLY H H 5 7.983 7.983 8.228 -0.245 25421
560 1 4 . 1 1 6 6 PHE N N 6 117.331 117.331 119.108 -1.777 25421
561 1 4 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.981 -1.355 25421
562 1 4 . 1 1 6 6 PHE C C 6 176.435 176.435 175.268 1.167 25421
563 1 4 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.939 -0.026 25421
564 1 4 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.092 -2.009 25421
565 1 4 . 1 1 6 6 PHE H H 6 7.581 7.581 8.283 -0.702 25421
566 1 4 . 1 1 7 7 TRP N N 7 123.869 123.869 119.750 4.119 25421
567 1 4 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.353 -0.765 25421
568 1 4 . 1 1 7 7 TRP C C 7 175.204 175.204 175.811 -0.607 25421
569 1 4 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.100 1.420 25421
570 1 4 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.263 -1.976 25421
571 1 4 . 1 1 7 7 TRP H H 7 8.997 8.997 7.973 1.024 25421
572 1 4 . 1 1 8 8 LYS N N 8 118.614 118.614 119.161 -0.547 25421
573 1 4 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.261 0.249 25421
574 1 4 . 1 1 8 8 LYS C C 8 176.595 176.595 175.736 0.859 25421
575 1 4 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.820 -2.836 25421
576 1 4 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.538 0.258 25421
577 1 4 . 1 1 8 8 LYS H H 8 7.719 7.719 7.768 -0.049 25421
578 1 4 . 1 1 9 9 SER N N 9 116.747 116.747 111.982 4.765 25421
579 1 4 . 1 1 9 9 SER HA H 9 4.808 4.808 4.841 -0.033 25421
580 1 4 . 1 1 9 9 SER C C 9 172.976 172.976 174.025 -1.049 25421
581 1 4 . 1 1 9 9 SER CA C 9 59.175 59.175 57.233 1.942 25421
582 1 4 . 1 1 9 9 SER CB C 9 63.827 63.827 63.625 0.202 25421
583 1 4 . 1 1 9 9 SER H H 9 8.430 8.430 8.234 0.196 25421
584 1 4 . 1 1 10 10 CYS N N 10 118.508 118.508 120.814 -2.306 25421
585 1 4 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.154 -0.176 25421
586 1 4 . 1 1 10 10 CYS C C 10 172.556 172.556 173.121 -0.565 25421
587 1 4 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.951 -3.673 25421
588 1 4 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.338 15.421 25421
589 1 4 . 1 1 10 10 CYS H H 10 8.142 8.142 7.774 0.368 25421
590 1 4 . 1 1 11 11 VAL N N 11 122.963 122.963 115.199 7.764 25421
591 1 4 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.543 -0.208 25421
592 1 4 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.490 1.834 25421
593 1 4 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.358 0.565 25421
594 1 4 . 1 1 11 11 VAL H H 11 8.835 8.835 8.018 0.817 25421
595 1 4 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.354 -0.411 25421
596 1 4 . 1 1 12 12 PRO C C 12 176.806 176.806 177.749 -0.943 25421
597 1 4 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.671 0.658 25421
598 1 4 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.296 0.493 25421
599 1 4 . 1 1 13 13 GLY N N 13 111.847 111.847 114.716 -2.869 25421
600 1 4 . 1 1 13 13 GLY C C 13 174.856 174.856 175.065 -0.209 25421
601 1 4 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.112 0.184 25421
602 1 4 . 1 1 13 13 GLY H H 13 8.826 8.826 8.573 0.253 25421
603 1 4 . 1 1 14 14 LYS N N 14 117.957 117.957 120.731 -2.774 25421
604 1 4 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.224 0.259 25421
605 1 4 . 1 1 14 14 LYS C C 14 175.718 175.718 176.969 -1.251 25421
606 1 4 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.881 -1.468 25421
607 1 4 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.412 -0.559 25421
608 1 4 . 1 1 14 14 LYS H H 14 7.590 7.590 7.494 0.096 25421
609 1 4 . 1 1 15 15 ASN N N 15 118.663 118.663 115.739 2.924 25421
610 1 4 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.490 0.187 25421
611 1 4 . 1 1 15 15 ASN C C 15 175.372 175.372 175.218 0.154 25421
612 1 4 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.819 -0.197 25421
613 1 4 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.967 0.404 25421
614 1 4 . 1 1 15 15 ASN H H 15 8.473 8.473 8.036 0.437 25421
615 1 4 . 1 1 16 16 GLU N N 16 115.492 115.492 114.937 0.555 25421
616 1 4 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.139 0.165 25421
617 1 4 . 1 1 16 16 GLU C C 16 178.083 178.083 177.401 0.682 25421
618 1 4 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.154 -0.732 25421
619 1 4 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.030 2.496 25421
620 1 4 . 1 1 16 16 GLU H H 16 8.848 8.848 8.744 0.104 25421
621 1 4 . 1 1 17 17 CYS N N 17 117.244 117.244 117.471 -0.227 25421
622 1 4 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.144 1.032 25421
623 1 4 . 1 1 17 17 CYS C C 17 175.716 175.716 175.988 -0.272 25421
624 1 4 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.440 -4.910 25421
625 1 4 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.107 12.967 25421
626 1 4 . 1 1 17 17 CYS H H 17 8.278 8.278 8.224 0.054 25421
627 1 4 . 1 1 18 18 CYS N N 18 121.456 121.456 123.009 -1.553 25421
628 1 4 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.401 0.165 25421
629 1 4 . 1 1 18 18 CYS C C 18 172.720 172.720 175.969 -3.249 25421
630 1 4 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.047 -4.711 25421
631 1 4 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.545 13.598 25421
632 1 4 . 1 1 18 18 CYS H H 18 9.308 9.308 8.534 0.774 25421
633 1 4 . 1 1 19 19 SER N N 19 114.196 114.196 117.321 -3.125 25421
634 1 4 . 1 1 19 19 SER HA H 19 4.273 4.273 4.278 -0.005 25421
635 1 4 . 1 1 19 19 SER C C 19 175.114 175.114 175.804 -0.690 25421
636 1 4 . 1 1 19 19 SER CA C 19 60.335 60.335 60.288 0.047 25421
637 1 4 . 1 1 19 19 SER CB C 19 63.047 63.047 63.509 -0.462 25421
638 1 4 . 1 1 19 19 SER H H 19 8.461 8.461 8.563 -0.102 25421
639 1 4 . 1 1 20 20 GLY N N 20 113.736 113.736 113.682 0.054 25421
640 1 4 . 1 1 20 20 GLY C C 20 173.468 173.468 174.112 -0.644 25421
641 1 4 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.844 -0.262 25421
642 1 4 . 1 1 20 20 GLY H H 20 8.836 8.836 8.671 0.165 25421
643 1 4 . 1 1 21 21 TYR N N 21 118.820 118.820 121.144 -2.324 25421
644 1 4 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.853 0.416 25421
645 1 4 . 1 1 21 21 TYR C C 21 174.011 174.011 174.680 -0.669 25421
646 1 4 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.397 -1.342 25421
647 1 4 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.567 2.092 25421
648 1 4 . 1 1 21 21 TYR H H 21 8.276 8.276 7.989 0.287 25421
649 1 4 . 1 1 22 22 ALA N N 22 120.868 120.868 124.113 -3.245 25421
650 1 4 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.690 -0.037 25421
651 1 4 . 1 1 22 22 ALA C C 22 176.439 176.439 175.096 1.343 25421
652 1 4 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.333 0.638 25421
653 1 4 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.629 1.477 25421
654 1 4 . 1 1 22 22 ALA H H 22 9.357 9.357 8.391 0.966 25421
655 1 4 . 1 1 23 23 CYS N N 23 122.679 122.679 118.089 4.590 25421
656 1 4 . 1 1 23 23 CYS HA H 23 4.565 4.565 4.977 -0.412 25421
657 1 4 . 1 1 23 23 CYS C C 23 174.530 174.530 174.811 -0.281 25421
658 1 4 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.264 -2.560 25421
659 1 4 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.490 12.350 25421
660 1 4 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421
661 1 4 . 1 1 24 24 SER N N 24 123.845 123.845 120.504 3.341 25421
662 1 4 . 1 1 24 24 SER HA H 24 4.455 4.455 4.900 -0.445 25421
663 1 4 . 1 1 24 24 SER C C 24 175.964 175.964 174.601 1.363 25421
664 1 4 . 1 1 24 24 SER CA C 24 57.449 57.449 57.056 0.393 25421
665 1 4 . 1 1 24 24 SER CB C 24 63.616 63.616 64.516 -0.900 25421
666 1 4 . 1 1 24 24 SER H H 24 8.057 8.057 8.618 -0.561 25421
667 1 4 . 1 1 25 25 SER N N 25 124.964 124.964 123.888 1.076 25421
668 1 4 . 1 1 25 25 SER HA H 25 3.977 3.977 4.200 -0.223 25421
669 1 4 . 1 1 25 25 SER C C 25 174.925 174.925 175.593 -0.668 25421
670 1 4 . 1 1 25 25 SER CA C 25 61.411 61.411 59.741 1.670 25421
671 1 4 . 1 1 25 25 SER CB C 25 62.650 62.650 63.321 -0.671 25421
672 1 4 . 1 1 25 25 SER H H 25 9.029 9.029 9.024 0.005 25421
673 1 4 . 1 1 26 26 ARG N N 26 119.221 119.221 119.996 -0.775 25421
674 1 4 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.026 0.099 25421
675 1 4 . 1 1 26 26 ARG C C 26 177.031 177.031 176.818 0.213 25421
676 1 4 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.359 -0.424 25421
677 1 4 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.281 0.839 25421
678 1 4 . 1 1 26 26 ARG H H 26 7.880 7.880 8.198 -0.318 25421
679 1 4 . 1 1 27 27 ASP N N 27 115.090 115.090 115.166 -0.076 25421
680 1 4 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.301 -0.028 25421
681 1 4 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.233 1.324 25421
682 1 4 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.657 0.298 25421
683 1 4 . 1 1 27 27 ASP H H 27 7.396 7.396 7.473 -0.077 25421
684 1 4 . 1 1 28 28 LYS N N 28 114.145 114.145 116.391 -2.246 25421
685 1 4 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.892 -0.050 25421
686 1 4 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.316 0.170 25421
687 1 4 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.086 -2.020 25421
688 1 4 . 1 1 28 28 LYS H H 28 8.096 8.096 7.816 0.280 25421
689 1 4 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.316 0.081 25421
690 1 4 . 1 1 29 29 TRP C C 29 177.187 177.187 174.960 2.227 25421
691 1 4 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.111 2.593 25421
692 1 4 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.871 1.408 25421
693 1 4 . 1 1 30 30 CYS N N 30 119.238 119.238 119.030 0.208 25421
694 1 4 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.097 -0.201 25421
695 1 4 . 1 1 30 30 CYS C C 30 174.364 174.364 174.799 -0.435 25421
696 1 4 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.165 -2.579 25421
697 1 4 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.751 10.455 25421
698 1 4 . 1 1 30 30 CYS H H 30 8.447 8.447 8.106 0.341 25421
699 1 4 . 1 1 31 31 LYS N N 31 124.793 124.793 120.417 4.376 25421
700 1 4 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.932 0.109 25421
701 1 4 . 1 1 31 31 LYS C C 31 175.662 175.662 175.020 0.642 25421
702 1 4 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.356 0.820 25421
703 1 4 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.995 -0.120 25421
704 1 4 . 1 1 31 31 LYS H H 31 9.191 9.191 8.829 0.362 25421
705 1 4 . 1 1 32 32 VAL N N 32 121.483 121.483 121.473 0.010 25421
706 1 4 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.826 -0.005 25421
707 1 4 . 1 1 32 32 VAL C C 32 175.973 175.973 174.817 1.156 25421
708 1 4 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.775 3.298 25421
709 1 4 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.417 -1.049 25421
710 1 4 . 1 1 32 32 VAL H H 32 8.424 8.424 8.473 -0.049 25421
711 1 4 . 1 1 33 33 LEU N N 33 128.865 128.865 128.684 0.181 25421
712 1 4 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.379 -0.072 25421
713 1 4 . 1 1 33 33 LEU C C 33 175.217 175.217 177.280 -2.063 25421
714 1 4 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.963 0.352 25421
715 1 4 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.082 0.507 25421
716 1 4 . 1 1 33 33 LEU H H 33 8.045 8.045 8.297 -0.252 25421
717 1 5 . 1 1 2 2 GLU N N 2 120.667 120.667 120.170 0.497 25421
718 1 5 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.560 -0.134 25421
719 1 5 . 1 1 2 2 GLU C C 2 175.960 175.960 175.684 0.276 25421
720 1 5 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.834 0.240 25421
721 1 5 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.122 -0.683 25421
722 1 5 . 1 1 2 2 GLU H H 2 8.716 8.716 8.249 0.467 25421
723 1 5 . 1 1 3 3 CYS N N 3 119.340 119.340 118.691 0.649 25421
724 1 5 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.683 0.139 25421
725 1 5 . 1 1 3 3 CYS C C 3 173.426 173.426 174.578 -1.152 25421
726 1 5 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.645 -1.945 25421
727 1 5 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.958 12.658 25421
728 1 5 . 1 1 3 3 CYS H H 3 8.457 8.457 8.430 0.027 25421
729 1 5 . 1 1 4 4 LYS N N 4 121.064 121.064 123.028 -1.964 25421
730 1 5 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.201 0.125 25421
731 1 5 . 1 1 4 4 LYS C C 4 174.620 174.620 176.722 -2.102 25421
732 1 5 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.641 -1.038 25421
733 1 5 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.007 1.303 25421
734 1 5 . 1 1 4 4 LYS H H 4 8.763 8.763 8.309 0.454 25421
735 1 5 . 1 1 5 5 GLY N N 5 109.502 109.502 107.204 2.298 25421
736 1 5 . 1 1 5 5 GLY C C 5 171.833 171.833 173.797 -1.964 25421
737 1 5 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.285 -2.643 25421
738 1 5 . 1 1 5 5 GLY H H 5 7.983 7.983 8.015 -0.032 25421
739 1 5 . 1 1 6 6 PHE N N 6 117.331 117.331 118.586 -1.255 25421
740 1 5 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.985 -1.359 25421
741 1 5 . 1 1 6 6 PHE C C 6 176.435 176.435 174.860 1.575 25421
742 1 5 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.322 -0.409 25421
743 1 5 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.140 -2.057 25421
744 1 5 . 1 1 6 6 PHE H H 6 7.581 7.581 8.176 -0.595 25421
745 1 5 . 1 1 7 7 TRP N N 7 123.869 123.869 116.744 7.125 25421
746 1 5 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.464 -0.876 25421
747 1 5 . 1 1 7 7 TRP C C 7 175.204 175.204 175.625 -0.421 25421
748 1 5 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.176 2.344 25421
749 1 5 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.870 -0.583 25421
750 1 5 . 1 1 7 7 TRP H H 7 8.997 8.997 7.705 1.292 25421
751 1 5 . 1 1 8 8 LYS N N 8 118.614 118.614 120.584 -1.970 25421
752 1 5 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.705 0.805 25421
753 1 5 . 1 1 8 8 LYS C C 8 176.595 176.595 175.939 0.656 25421
754 1 5 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.333 -2.349 25421
755 1 5 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.418 0.378 25421
756 1 5 . 1 1 8 8 LYS H H 8 7.719 7.719 7.223 0.496 25421
757 1 5 . 1 1 9 9 SER N N 9 116.747 116.747 114.450 2.297 25421
758 1 5 . 1 1 9 9 SER HA H 9 4.808 4.808 4.869 -0.061 25421
759 1 5 . 1 1 9 9 SER C C 9 172.976 172.976 173.326 -0.350 25421
760 1 5 . 1 1 9 9 SER CA C 9 59.175 59.175 57.452 1.724 25421
761 1 5 . 1 1 9 9 SER CB C 9 63.827 63.827 63.853 -0.026 25421
762 1 5 . 1 1 9 9 SER H H 9 8.430 8.430 8.180 0.250 25421
763 1 5 . 1 1 10 10 CYS N N 10 118.508 118.508 121.577 -3.069 25421
764 1 5 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.995 -0.017 25421
765 1 5 . 1 1 10 10 CYS C C 10 172.556 172.556 173.016 -0.460 25421
766 1 5 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.226 -2.948 25421
767 1 5 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.746 16.014 25421
768 1 5 . 1 1 10 10 CYS H H 10 8.142 8.142 7.961 0.181 25421
769 1 5 . 1 1 11 11 VAL N N 11 122.963 122.963 114.800 8.163 25421
770 1 5 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.570 -0.235 25421
771 1 5 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.752 1.572 25421
772 1 5 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.855 0.068 25421
773 1 5 . 1 1 11 11 VAL H H 11 8.835 8.835 8.088 0.747 25421
774 1 5 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.444 -0.501 25421
775 1 5 . 1 1 12 12 PRO C C 12 176.806 176.806 177.662 -0.856 25421
776 1 5 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.123 0.206 25421
777 1 5 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.640 0.149 25421
778 1 5 . 1 1 13 13 GLY N N 13 111.847 111.847 112.256 -0.409 25421
779 1 5 . 1 1 13 13 GLY C C 13 174.856 174.856 175.027 -0.171 25421
780 1 5 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.103 0.193 25421
781 1 5 . 1 1 13 13 GLY H H 13 8.826 8.826 8.574 0.252 25421
782 1 5 . 1 1 14 14 LYS N N 14 117.957 117.957 121.347 -3.390 25421
783 1 5 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.159 0.324 25421
784 1 5 . 1 1 14 14 LYS C C 14 175.718 175.718 177.039 -1.321 25421
785 1 5 . 1 1 14 14 LYS CA C 14 55.413 55.413 57.177 -1.764 25421
786 1 5 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.232 -0.379 25421
787 1 5 . 1 1 14 14 LYS H H 14 7.590 7.590 7.526 0.064 25421
788 1 5 . 1 1 15 15 ASN N N 15 118.663 118.663 114.764 3.899 25421
789 1 5 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.488 0.189 25421
790 1 5 . 1 1 15 15 ASN C C 15 175.372 175.372 175.022 0.350 25421
791 1 5 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.734 -0.112 25421
792 1 5 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.707 0.664 25421
793 1 5 . 1 1 15 15 ASN H H 15 8.473 8.473 8.043 0.430 25421
794 1 5 . 1 1 16 16 GLU N N 16 115.492 115.492 115.594 -0.102 25421
795 1 5 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.130 0.174 25421
796 1 5 . 1 1 16 16 GLU C C 16 178.083 178.083 177.445 0.638 25421
797 1 5 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.005 -0.583 25421
798 1 5 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.024 2.502 25421
799 1 5 . 1 1 16 16 GLU H H 16 8.848 8.848 8.687 0.161 25421
800 1 5 . 1 1 17 17 CYS N N 17 117.244 117.244 117.317 -0.073 25421
801 1 5 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.137 1.039 25421
802 1 5 . 1 1 17 17 CYS C C 17 175.716 175.716 176.001 -0.285 25421
803 1 5 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.511 -4.981 25421
804 1 5 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.358 12.716 25421
805 1 5 . 1 1 17 17 CYS H H 17 8.278 8.278 8.148 0.130 25421
806 1 5 . 1 1 18 18 CYS N N 18 121.456 121.456 121.191 0.265 25421
807 1 5 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.512 0.054 25421
808 1 5 . 1 1 18 18 CYS C C 18 172.720 172.720 175.775 -3.055 25421
809 1 5 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.696 -4.360 25421
810 1 5 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.199 12.944 25421
811 1 5 . 1 1 18 18 CYS H H 18 9.308 9.308 8.653 0.655 25421
812 1 5 . 1 1 19 19 SER N N 19 114.196 114.196 118.311 -4.115 25421
813 1 5 . 1 1 19 19 SER HA H 19 4.273 4.273 4.258 0.015 25421
814 1 5 . 1 1 19 19 SER C C 19 175.114 175.114 175.724 -0.610 25421
815 1 5 . 1 1 19 19 SER CA C 19 60.335 60.335 60.041 0.294 25421
816 1 5 . 1 1 19 19 SER CB C 19 63.047 63.047 63.568 -0.521 25421
817 1 5 . 1 1 19 19 SER H H 19 8.461 8.461 8.769 -0.308 25421
818 1 5 . 1 1 20 20 GLY N N 20 113.736 113.736 113.484 0.252 25421
819 1 5 . 1 1 20 20 GLY C C 20 173.468 173.468 174.139 -0.671 25421
820 1 5 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.914 -0.332 25421
821 1 5 . 1 1 20 20 GLY H H 20 8.836 8.836 8.612 0.224 25421
822 1 5 . 1 1 21 21 TYR N N 21 118.820 118.820 121.175 -2.355 25421
823 1 5 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.854 0.415 25421
824 1 5 . 1 1 21 21 TYR C C 21 174.011 174.011 174.651 -0.640 25421
825 1 5 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.336 -1.281 25421
826 1 5 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.575 2.084 25421
827 1 5 . 1 1 21 21 TYR H H 21 8.276 8.276 7.955 0.321 25421
828 1 5 . 1 1 22 22 ALA N N 22 120.868 120.868 124.203 -3.335 25421
829 1 5 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.686 -0.033 25421
830 1 5 . 1 1 22 22 ALA C C 22 176.439 176.439 175.081 1.358 25421
831 1 5 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.337 0.634 25421
832 1 5 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.614 1.492 25421
833 1 5 . 1 1 22 22 ALA H H 22 9.357 9.357 8.353 1.004 25421
834 1 5 . 1 1 23 23 CYS N N 23 122.679 122.679 118.075 4.604 25421
835 1 5 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.106 -0.541 25421
836 1 5 . 1 1 23 23 CYS C C 23 174.530 174.530 174.838 -0.308 25421
837 1 5 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.233 -2.529 25421
838 1 5 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.427 12.413 25421
839 1 5 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421
840 1 5 . 1 1 24 24 SER N N 24 123.845 123.845 120.758 3.087 25421
841 1 5 . 1 1 24 24 SER HA H 24 4.455 4.455 4.995 -0.540 25421
842 1 5 . 1 1 24 24 SER C C 24 175.964 175.964 175.038 0.926 25421
843 1 5 . 1 1 24 24 SER CA C 24 57.449 57.449 57.018 0.431 25421
844 1 5 . 1 1 24 24 SER CB C 24 63.616 63.616 64.418 -0.802 25421
845 1 5 . 1 1 24 24 SER H H 24 8.057 8.057 8.738 -0.681 25421
846 1 5 . 1 1 25 25 SER N N 25 124.964 124.964 123.899 1.065 25421
847 1 5 . 1 1 25 25 SER HA H 25 3.977 3.977 4.233 -0.256 25421
848 1 5 . 1 1 25 25 SER C C 25 174.925 174.925 175.394 -0.469 25421
849 1 5 . 1 1 25 25 SER CA C 25 61.411 61.411 59.802 1.609 25421
850 1 5 . 1 1 25 25 SER CB C 25 62.650 62.650 63.460 -0.810 25421
851 1 5 . 1 1 25 25 SER H H 25 9.029 9.029 8.954 0.075 25421
852 1 5 . 1 1 26 26 ARG N N 26 119.221 119.221 120.491 -1.270 25421
853 1 5 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.046 0.079 25421
854 1 5 . 1 1 26 26 ARG C C 26 177.031 177.031 176.677 0.354 25421
855 1 5 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.482 -0.547 25421
856 1 5 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.222 0.898 25421
857 1 5 . 1 1 26 26 ARG H H 26 7.880 7.880 8.168 -0.288 25421
858 1 5 . 1 1 27 27 ASP N N 27 115.090 115.090 114.824 0.266 25421
859 1 5 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.373 -0.100 25421
860 1 5 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.956 1.601 25421
861 1 5 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.867 0.088 25421
862 1 5 . 1 1 27 27 ASP H H 27 7.396 7.396 7.544 -0.148 25421
863 1 5 . 1 1 28 28 LYS N N 28 114.145 114.145 117.185 -3.040 25421
864 1 5 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.975 -0.133 25421
865 1 5 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.390 0.096 25421
866 1 5 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.038 -1.972 25421
867 1 5 . 1 1 28 28 LYS H H 28 8.096 8.096 7.939 0.157 25421
868 1 5 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.385 0.012 25421
869 1 5 . 1 1 29 29 TRP C C 29 177.187 177.187 175.070 2.117 25421
870 1 5 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.306 2.398 25421
871 1 5 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.051 1.228 25421
872 1 5 . 1 1 30 30 CYS N N 30 119.238 119.238 119.008 0.230 25421
873 1 5 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.197 -0.301 25421
874 1 5 . 1 1 30 30 CYS C C 30 174.364 174.364 174.682 -0.318 25421
875 1 5 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.181 -2.595 25421
876 1 5 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.722 10.484 25421
877 1 5 . 1 1 30 30 CYS H H 30 8.447 8.447 8.172 0.275 25421
878 1 5 . 1 1 31 31 LYS N N 31 124.793 124.793 119.828 4.965 25421
879 1 5 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.912 0.129 25421
880 1 5 . 1 1 31 31 LYS C C 31 175.662 175.662 174.678 0.984 25421
881 1 5 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.542 0.634 25421
882 1 5 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.005 -0.130 25421
883 1 5 . 1 1 31 31 LYS H H 31 9.191 9.191 8.743 0.448 25421
884 1 5 . 1 1 32 32 VAL N N 32 121.483 121.483 122.120 -0.637 25421
885 1 5 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.951 -0.130 25421
886 1 5 . 1 1 32 32 VAL C C 32 175.973 175.973 174.469 1.504 25421
887 1 5 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.761 4.312 25421
888 1 5 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.886 -1.518 25421
889 1 5 . 1 1 32 32 VAL H H 32 8.424 8.424 8.573 -0.149 25421
890 1 5 . 1 1 33 33 LEU N N 33 128.865 128.865 128.863 0.002 25421
891 1 5 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.323 -0.016 25421
892 1 5 . 1 1 33 33 LEU C C 33 175.217 175.217 177.344 -2.127 25421
893 1 5 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.046 0.269 25421
894 1 5 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.891 0.698 25421
895 1 5 . 1 1 33 33 LEU H H 33 8.045 8.045 8.310 -0.265 25421
896 1 6 . 1 1 2 2 GLU N N 2 120.667 120.667 120.684 -0.017 25421
897 1 6 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.321 0.105 25421
898 1 6 . 1 1 2 2 GLU C C 2 175.960 175.960 175.888 0.072 25421
899 1 6 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.172 -0.099 25421
900 1 6 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.374 0.065 25421
901 1 6 . 1 1 2 2 GLU H H 2 8.716 8.716 8.500 0.216 25421
902 1 6 . 1 1 3 3 CYS N N 3 119.340 119.340 117.633 1.707 25421
903 1 6 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.608 0.214 25421
904 1 6 . 1 1 3 3 CYS C C 3 173.426 173.426 174.638 -1.212 25421
905 1 6 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.956 -2.256 25421
906 1 6 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.931 12.685 25421
907 1 6 . 1 1 3 3 CYS H H 3 8.457 8.457 8.385 0.072 25421
908 1 6 . 1 1 4 4 LYS N N 4 121.064 121.064 123.136 -2.072 25421
909 1 6 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.261 0.065 25421
910 1 6 . 1 1 4 4 LYS C C 4 174.620 174.620 177.009 -2.389 25421
911 1 6 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.784 -1.181 25421
912 1 6 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.022 1.288 25421
913 1 6 . 1 1 4 4 LYS H H 4 8.763 8.763 8.373 0.390 25421
914 1 6 . 1 1 5 5 GLY N N 5 109.502 109.502 107.434 2.068 25421
915 1 6 . 1 1 5 5 GLY C C 5 171.833 171.833 173.392 -1.559 25421
916 1 6 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.318 -2.676 25421
917 1 6 . 1 1 5 5 GLY H H 5 7.983 7.983 8.243 -0.260 25421
918 1 6 . 1 1 6 6 PHE N N 6 117.331 117.331 118.657 -1.326 25421
919 1 6 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.923 -1.297 25421
920 1 6 . 1 1 6 6 PHE C C 6 176.435 176.435 175.246 1.189 25421
921 1 6 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.091 -0.178 25421
922 1 6 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.322 -2.239 25421
923 1 6 . 1 1 6 6 PHE H H 6 7.581 7.581 8.075 -0.494 25421
924 1 6 . 1 1 7 7 TRP N N 7 123.869 123.869 121.251 2.618 25421
925 1 6 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.297 -0.709 25421
926 1 6 . 1 1 7 7 TRP C C 7 175.204 175.204 175.822 -0.618 25421
927 1 6 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.012 1.508 25421
928 1 6 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.858 -1.571 25421
929 1 6 . 1 1 7 7 TRP H H 7 8.997 8.997 8.160 0.837 25421
930 1 6 . 1 1 8 8 LYS N N 8 118.614 118.614 120.069 -1.455 25421
931 1 6 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.282 0.229 25421
932 1 6 . 1 1 8 8 LYS C C 8 176.595 176.595 175.810 0.785 25421
933 1 6 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.549 -2.565 25421
934 1 6 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.059 -0.263 25421
935 1 6 . 1 1 8 8 LYS H H 8 7.719 7.719 7.734 -0.015 25421
936 1 6 . 1 1 9 9 SER N N 9 116.747 116.747 114.357 2.390 25421
937 1 6 . 1 1 9 9 SER HA H 9 4.808 4.808 4.791 0.017 25421
938 1 6 . 1 1 9 9 SER C C 9 172.976 172.976 173.437 -0.461 25421
939 1 6 . 1 1 9 9 SER CA C 9 59.175 59.175 57.551 1.624 25421
940 1 6 . 1 1 9 9 SER CB C 9 63.827 63.827 63.794 0.033 25421
941 1 6 . 1 1 9 9 SER H H 9 8.430 8.430 8.334 0.096 25421
942 1 6 . 1 1 10 10 CYS N N 10 118.508 118.508 121.200 -2.692 25421
943 1 6 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.874 0.104 25421
944 1 6 . 1 1 10 10 CYS C C 10 172.556 172.556 172.886 -0.330 25421
945 1 6 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.730 -3.452 25421
946 1 6 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.588 16.172 25421
947 1 6 . 1 1 10 10 CYS H H 10 8.142 8.142 7.993 0.149 25421
948 1 6 . 1 1 11 11 VAL N N 11 122.963 122.963 114.799 8.164 25421
949 1 6 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.559 -0.224 25421
950 1 6 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.682 1.642 25421
951 1 6 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.724 0.200 25421
952 1 6 . 1 1 11 11 VAL H H 11 8.835 8.835 8.013 0.822 25421
953 1 6 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.309 -0.366 25421
954 1 6 . 1 1 12 12 PRO C C 12 176.806 176.806 177.367 -0.561 25421
955 1 6 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.835 0.494 25421
956 1 6 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.268 0.521 25421
957 1 6 . 1 1 13 13 GLY N N 13 111.847 111.847 114.138 -2.291 25421
958 1 6 . 1 1 13 13 GLY C C 13 174.856 174.856 175.254 -0.398 25421
959 1 6 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.257 0.039 25421
960 1 6 . 1 1 13 13 GLY H H 13 8.826 8.826 8.566 0.260 25421
961 1 6 . 1 1 14 14 LYS N N 14 117.957 117.957 121.592 -3.635 25421
962 1 6 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.306 0.177 25421
963 1 6 . 1 1 14 14 LYS C C 14 175.718 175.718 176.954 -1.236 25421
964 1 6 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.475 -1.062 25421
965 1 6 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.184 -0.331 25421
966 1 6 . 1 1 14 14 LYS H H 14 7.590 7.590 7.666 -0.076 25421
967 1 6 . 1 1 15 15 ASN N N 15 118.663 118.663 115.401 3.262 25421
968 1 6 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.472 0.205 25421
969 1 6 . 1 1 15 15 ASN C C 15 175.372 175.372 175.203 0.169 25421
970 1 6 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.942 -0.320 25421
971 1 6 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.941 0.430 25421
972 1 6 . 1 1 15 15 ASN H H 15 8.473 8.473 7.992 0.481 25421
973 1 6 . 1 1 16 16 GLU N N 16 115.492 115.492 115.395 0.097 25421
974 1 6 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.127 0.177 25421
975 1 6 . 1 1 16 16 GLU C C 16 178.083 178.083 177.414 0.669 25421
976 1 6 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.133 -0.711 25421
977 1 6 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.167 2.359 25421
978 1 6 . 1 1 16 16 GLU H H 16 8.848 8.848 8.661 0.187 25421
979 1 6 . 1 1 17 17 CYS N N 17 117.244 117.244 117.274 -0.030 25421
980 1 6 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.152 1.024 25421
981 1 6 . 1 1 17 17 CYS C C 17 175.716 175.716 176.001 -0.285 25421
982 1 6 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.252 -4.722 25421
983 1 6 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.148 12.926 25421
984 1 6 . 1 1 17 17 CYS H H 17 8.278 8.278 8.207 0.071 25421
985 1 6 . 1 1 18 18 CYS N N 18 121.456 121.456 123.165 -1.709 25421
986 1 6 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.405 0.161 25421
987 1 6 . 1 1 18 18 CYS C C 18 172.720 172.720 175.998 -3.278 25421
988 1 6 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.041 -4.705 25421
989 1 6 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.522 13.621 25421
990 1 6 . 1 1 18 18 CYS H H 18 9.308 9.308 8.531 0.777 25421
991 1 6 . 1 1 19 19 SER N N 19 114.196 114.196 117.304 -3.108 25421
992 1 6 . 1 1 19 19 SER HA H 19 4.273 4.273 4.284 -0.011 25421
993 1 6 . 1 1 19 19 SER C C 19 175.114 175.114 175.801 -0.687 25421
994 1 6 . 1 1 19 19 SER CA C 19 60.335 60.335 60.338 -0.003 25421
995 1 6 . 1 1 19 19 SER CB C 19 63.047 63.047 63.476 -0.429 25421
996 1 6 . 1 1 19 19 SER H H 19 8.461 8.461 8.584 -0.123 25421
997 1 6 . 1 1 20 20 GLY N N 20 113.736 113.736 113.624 0.112 25421
998 1 6 . 1 1 20 20 GLY C C 20 173.468 173.468 174.104 -0.636 25421
999 1 6 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.827 -0.245 25421
1000 1 6 . 1 1 20 20 GLY H H 20 8.836 8.836 8.673 0.163 25421
1001 1 6 . 1 1 21 21 TYR N N 21 118.820 118.820 121.286 -2.466 25421
1002 1 6 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.862 0.407 25421
1003 1 6 . 1 1 21 21 TYR C C 21 174.011 174.011 174.670 -0.659 25421
1004 1 6 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.398 -1.343 25421
1005 1 6 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.520 2.139 25421
1006 1 6 . 1 1 21 21 TYR H H 21 8.276 8.276 7.976 0.300 25421
1007 1 6 . 1 1 22 22 ALA N N 22 120.868 120.868 124.309 -3.441 25421
1008 1 6 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.695 -0.042 25421
1009 1 6 . 1 1 22 22 ALA C C 22 176.439 176.439 175.078 1.361 25421
1010 1 6 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.347 0.624 25421
1011 1 6 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.651 1.456 25421
1012 1 6 . 1 1 22 22 ALA H H 22 9.357 9.357 8.353 1.004 25421
1013 1 6 . 1 1 23 23 CYS N N 23 122.679 122.679 118.041 4.638 25421
1014 1 6 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.099 -0.534 25421
1015 1 6 . 1 1 23 23 CYS C C 23 174.530 174.530 174.829 -0.299 25421
1016 1 6 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.237 -2.533 25421
1017 1 6 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.428 12.412 25421
1018 1 6 . 1 1 23 23 CYS H H 23 8.917 8.917 8.419 0.498 25421
1019 1 6 . 1 1 24 24 SER N N 24 123.845 123.845 120.645 3.200 25421
1020 1 6 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421
1021 1 6 . 1 1 24 24 SER C C 24 175.964 175.964 174.986 0.978 25421
1022 1 6 . 1 1 24 24 SER CA C 24 57.449 57.449 57.011 0.438 25421
1023 1 6 . 1 1 24 24 SER CB C 24 63.616 63.616 64.463 -0.847 25421
1024 1 6 . 1 1 24 24 SER H H 24 8.057 8.057 8.700 -0.643 25421
1025 1 6 . 1 1 25 25 SER N N 25 124.964 124.964 123.773 1.191 25421
1026 1 6 . 1 1 25 25 SER HA H 25 3.977 3.977 4.214 -0.237 25421
1027 1 6 . 1 1 25 25 SER C C 25 174.925 174.925 175.469 -0.544 25421
1028 1 6 . 1 1 25 25 SER CA C 25 61.411 61.411 59.817 1.594 25421
1029 1 6 . 1 1 25 25 SER CB C 25 62.650 62.650 63.479 -0.829 25421
1030 1 6 . 1 1 25 25 SER H H 25 9.029 9.029 8.991 0.038 25421
1031 1 6 . 1 1 26 26 ARG N N 26 119.221 119.221 120.516 -1.295 25421
1032 1 6 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.034 0.091 25421
1033 1 6 . 1 1 26 26 ARG C C 26 177.031 177.031 176.574 0.457 25421
1034 1 6 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.389 -0.454 25421
1035 1 6 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.250 0.871 25421
1036 1 6 . 1 1 26 26 ARG H H 26 7.880 7.880 8.274 -0.394 25421
1037 1 6 . 1 1 27 27 ASP N N 27 115.090 115.090 114.218 0.872 25421
1038 1 6 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.283 -0.010 25421
1039 1 6 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.403 1.154 25421
1040 1 6 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.852 0.103 25421
1041 1 6 . 1 1 27 27 ASP H H 27 7.396 7.396 7.469 -0.073 25421
1042 1 6 . 1 1 28 28 LYS N N 28 114.145 114.145 118.029 -3.884 25421
1043 1 6 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.961 -0.119 25421
1044 1 6 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.328 0.158 25421
1045 1 6 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.919 -1.853 25421
1046 1 6 . 1 1 28 28 LYS H H 28 8.096 8.096 7.972 0.124 25421
1047 1 6 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.234 0.163 25421
1048 1 6 . 1 1 29 29 TRP C C 29 177.187 177.187 174.807 2.380 25421
1049 1 6 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.163 2.541 25421
1050 1 6 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.836 1.443 25421
1051 1 6 . 1 1 30 30 CYS N N 30 119.238 119.238 118.966 0.272 25421
1052 1 6 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.198 -0.302 25421
1053 1 6 . 1 1 30 30 CYS C C 30 174.364 174.364 174.697 -0.333 25421
1054 1 6 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.201 -2.615 25421
1055 1 6 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.772 10.434 25421
1056 1 6 . 1 1 30 30 CYS H H 30 8.447 8.447 8.085 0.362 25421
1057 1 6 . 1 1 31 31 LYS N N 31 124.793 124.793 120.036 4.757 25421
1058 1 6 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.978 0.063 25421
1059 1 6 . 1 1 31 31 LYS C C 31 175.662 175.662 174.808 0.854 25421
1060 1 6 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.654 0.521 25421
1061 1 6 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.003 -0.128 25421
1062 1 6 . 1 1 31 31 LYS H H 31 9.191 9.191 8.777 0.414 25421
1063 1 6 . 1 1 32 32 VAL N N 32 121.483 121.483 121.943 -0.460 25421
1064 1 6 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.927 -0.106 25421
1065 1 6 . 1 1 32 32 VAL C C 32 175.973 175.973 174.243 1.730 25421
1066 1 6 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.945 4.128 25421
1067 1 6 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.388 -1.020 25421
1068 1 6 . 1 1 32 32 VAL H H 32 8.424 8.424 8.500 -0.076 25421
1069 1 6 . 1 1 33 33 LEU N N 33 128.865 128.865 129.005 -0.140 25421
1070 1 6 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.254 0.053 25421
1071 1 6 . 1 1 33 33 LEU C C 33 175.217 175.217 177.046 -1.829 25421
1072 1 6 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.605 -0.290 25421
1073 1 6 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.066 0.523 25421
1074 1 6 . 1 1 33 33 LEU H H 33 8.045 8.045 8.273 -0.228 25421
1075 1 7 . 1 1 2 2 GLU N N 2 120.667 120.667 122.077 -1.410 25421
1076 1 7 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.725 -0.299 25421
1077 1 7 . 1 1 2 2 GLU C C 2 175.960 175.960 175.773 0.187 25421
1078 1 7 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.128 -0.055 25421
1079 1 7 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.706 -0.268 25421
1080 1 7 . 1 1 2 2 GLU H H 2 8.716 8.716 8.674 0.042 25421
1081 1 7 . 1 1 3 3 CYS N N 3 119.340 119.340 117.847 1.493 25421
1082 1 7 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.739 0.083 25421
1083 1 7 . 1 1 3 3 CYS C C 3 173.426 173.426 174.720 -1.294 25421
1084 1 7 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.012 -2.312 25421
1085 1 7 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.927 12.688 25421
1086 1 7 . 1 1 3 3 CYS H H 3 8.457 8.457 8.346 0.111 25421
1087 1 7 . 1 1 4 4 LYS N N 4 121.064 121.064 122.971 -1.907 25421
1088 1 7 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.282 0.044 25421
1089 1 7 . 1 1 4 4 LYS C C 4 174.620 174.620 177.024 -2.404 25421
1090 1 7 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.753 -1.150 25421
1091 1 7 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.041 1.269 25421
1092 1 7 . 1 1 4 4 LYS H H 4 8.763 8.763 8.422 0.341 25421
1093 1 7 . 1 1 5 5 GLY N N 5 109.502 109.502 107.476 2.026 25421
1094 1 7 . 1 1 5 5 GLY C C 5 171.833 171.833 173.869 -2.036 25421
1095 1 7 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.381 -2.739 25421
1096 1 7 . 1 1 5 5 GLY H H 5 7.983 7.983 8.245 -0.262 25421
1097 1 7 . 1 1 6 6 PHE N N 6 117.331 117.331 118.528 -1.197 25421
1098 1 7 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.964 -1.338 25421
1099 1 7 . 1 1 6 6 PHE C C 6 176.435 176.435 175.066 1.369 25421
1100 1 7 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.950 -0.038 25421
1101 1 7 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.352 -2.269 25421
1102 1 7 . 1 1 6 6 PHE H H 6 7.581 7.581 8.162 -0.581 25421
1103 1 7 . 1 1 7 7 TRP N N 7 123.869 123.869 121.252 2.617 25421
1104 1 7 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.366 -0.778 25421
1105 1 7 . 1 1 7 7 TRP C C 7 175.204 175.204 175.891 -0.687 25421
1106 1 7 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.224 1.296 25421
1107 1 7 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.735 -1.448 25421
1108 1 7 . 1 1 7 7 TRP H H 7 8.997 8.997 8.162 0.835 25421
1109 1 7 . 1 1 8 8 LYS N N 8 118.614 118.614 120.265 -1.651 25421
1110 1 7 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.375 0.135 25421
1111 1 7 . 1 1 8 8 LYS C C 8 176.595 176.595 176.004 0.591 25421
1112 1 7 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.675 -2.691 25421
1113 1 7 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.063 -0.267 25421
1114 1 7 . 1 1 8 8 LYS H H 8 7.719 7.719 7.754 -0.035 25421
1115 1 7 . 1 1 9 9 SER N N 9 116.747 116.747 114.796 1.951 25421
1116 1 7 . 1 1 9 9 SER HA H 9 4.808 4.808 4.836 -0.028 25421
1117 1 7 . 1 1 9 9 SER C C 9 172.976 172.976 173.271 -0.295 25421
1118 1 7 . 1 1 9 9 SER CA C 9 59.175 59.175 57.578 1.597 25421
1119 1 7 . 1 1 9 9 SER CB C 9 63.827 63.827 63.763 0.064 25421
1120 1 7 . 1 1 9 9 SER H H 9 8.430 8.430 8.351 0.079 25421
1121 1 7 . 1 1 10 10 CYS N N 10 118.508 118.508 121.771 -3.263 25421
1122 1 7 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.079 -0.101 25421
1123 1 7 . 1 1 10 10 CYS C C 10 172.556 172.556 173.173 -0.617 25421
1124 1 7 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.401 -3.123 25421
1125 1 7 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.454 16.306 25421
1126 1 7 . 1 1 10 10 CYS H H 10 8.142 8.142 7.960 0.182 25421
1127 1 7 . 1 1 11 11 VAL N N 11 122.963 122.963 114.915 8.048 25421
1128 1 7 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.546 -0.211 25421
1129 1 7 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.109 1.215 25421
1130 1 7 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.710 0.213 25421
1131 1 7 . 1 1 11 11 VAL H H 11 8.835 8.835 8.116 0.719 25421
1132 1 7 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.450 -0.507 25421
1133 1 7 . 1 1 12 12 PRO C C 12 176.806 176.806 177.666 -0.860 25421
1134 1 7 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.997 0.332 25421
1135 1 7 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.623 0.166 25421
1136 1 7 . 1 1 13 13 GLY N N 13 111.847 111.847 112.523 -0.676 25421
1137 1 7 . 1 1 13 13 GLY C C 13 174.856 174.856 175.215 -0.359 25421
1138 1 7 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.208 0.088 25421
1139 1 7 . 1 1 13 13 GLY H H 13 8.826 8.826 8.627 0.199 25421
1140 1 7 . 1 1 14 14 LYS N N 14 117.957 117.957 121.414 -3.457 25421
1141 1 7 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.223 0.260 25421
1142 1 7 . 1 1 14 14 LYS C C 14 175.718 175.718 177.101 -1.383 25421
1143 1 7 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.464 -1.051 25421
1144 1 7 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.158 -0.305 25421
1145 1 7 . 1 1 14 14 LYS H H 14 7.590 7.590 7.657 -0.067 25421
1146 1 7 . 1 1 15 15 ASN N N 15 118.663 118.663 116.468 2.195 25421
1147 1 7 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.464 0.213 25421
1148 1 7 . 1 1 15 15 ASN C C 15 175.372 175.372 174.888 0.484 25421
1149 1 7 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.821 -0.198 25421
1150 1 7 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.674 -0.303 25421
1151 1 7 . 1 1 15 15 ASN H H 15 8.473 8.473 7.991 0.482 25421
1152 1 7 . 1 1 16 16 GLU N N 16 115.492 115.492 116.125 -0.633 25421
1153 1 7 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.226 0.078 25421
1154 1 7 . 1 1 16 16 GLU C C 16 178.083 178.083 177.478 0.605 25421
1155 1 7 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.702 -0.280 25421
1156 1 7 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.879 2.647 25421
1157 1 7 . 1 1 16 16 GLU H H 16 8.848 8.848 8.686 0.162 25421
1158 1 7 . 1 1 17 17 CYS N N 17 117.244 117.244 117.593 -0.349 25421
1159 1 7 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.157 1.019 25421
1160 1 7 . 1 1 17 17 CYS C C 17 175.716 175.716 175.957 -0.241 25421
1161 1 7 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.570 -5.040 25421
1162 1 7 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.268 12.806 25421
1163 1 7 . 1 1 17 17 CYS H H 17 8.278 8.278 8.243 0.035 25421
1164 1 7 . 1 1 18 18 CYS N N 18 121.456 121.456 122.642 -1.186 25421
1165 1 7 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.449 0.117 25421
1166 1 7 . 1 1 18 18 CYS C C 18 172.720 172.720 175.897 -3.177 25421
1167 1 7 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.926 -4.590 25421
1168 1 7 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.684 13.459 25421
1169 1 7 . 1 1 18 18 CYS H H 18 9.308 9.308 8.582 0.726 25421
1170 1 7 . 1 1 19 19 SER N N 19 114.196 114.196 117.407 -3.211 25421
1171 1 7 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421
1172 1 7 . 1 1 19 19 SER C C 19 175.114 175.114 175.742 -0.628 25421
1173 1 7 . 1 1 19 19 SER CA C 19 60.335 60.335 60.338 -0.003 25421
1174 1 7 . 1 1 19 19 SER CB C 19 63.047 63.047 63.501 -0.454 25421
1175 1 7 . 1 1 19 19 SER H H 19 8.461 8.461 8.538 -0.077 25421
1176 1 7 . 1 1 20 20 GLY N N 20 113.736 113.736 113.895 -0.159 25421
1177 1 7 . 1 1 20 20 GLY C C 20 173.468 173.468 174.100 -0.632 25421
1178 1 7 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.924 -0.342 25421
1179 1 7 . 1 1 20 20 GLY H H 20 8.836 8.836 8.835 0.001 25421
1180 1 7 . 1 1 21 21 TYR N N 21 118.820 118.820 121.259 -2.439 25421
1181 1 7 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.867 0.402 25421
1182 1 7 . 1 1 21 21 TYR C C 21 174.011 174.011 174.622 -0.611 25421
1183 1 7 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.322 -1.267 25421
1184 1 7 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.563 2.096 25421
1185 1 7 . 1 1 21 21 TYR H H 21 8.276 8.276 7.957 0.319 25421
1186 1 7 . 1 1 22 22 ALA N N 22 120.868 120.868 124.280 -3.412 25421
1187 1 7 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.684 -0.031 25421
1188 1 7 . 1 1 22 22 ALA C C 22 176.439 176.439 175.078 1.361 25421
1189 1 7 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.308 0.663 25421
1190 1 7 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.640 1.466 25421
1191 1 7 . 1 1 22 22 ALA H H 22 9.357 9.357 8.331 1.026 25421
1192 1 7 . 1 1 23 23 CYS N N 23 122.679 122.679 118.137 4.542 25421
1193 1 7 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.109 -0.544 25421
1194 1 7 . 1 1 23 23 CYS C C 23 174.530 174.530 174.825 -0.295 25421
1195 1 7 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.218 -2.514 25421
1196 1 7 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.433 12.407 25421
1197 1 7 . 1 1 23 23 CYS H H 23 8.917 8.917 8.417 0.500 25421
1198 1 7 . 1 1 24 24 SER N N 24 123.845 123.845 120.612 3.233 25421
1199 1 7 . 1 1 24 24 SER HA H 24 4.455 4.455 4.877 -0.422 25421
1200 1 7 . 1 1 24 24 SER C C 24 175.964 175.964 174.541 1.423 25421
1201 1 7 . 1 1 24 24 SER CA C 24 57.449 57.449 57.154 0.295 25421
1202 1 7 . 1 1 24 24 SER CB C 24 63.616 63.616 64.530 -0.914 25421
1203 1 7 . 1 1 24 24 SER H H 24 8.057 8.057 8.621 -0.564 25421
1204 1 7 . 1 1 25 25 SER N N 25 124.964 124.964 123.262 1.702 25421
1205 1 7 . 1 1 25 25 SER HA H 25 3.977 3.977 4.194 -0.217 25421
1206 1 7 . 1 1 25 25 SER C C 25 174.925 174.925 175.544 -0.619 25421
1207 1 7 . 1 1 25 25 SER CA C 25 61.411 61.411 59.650 1.762 25421
1208 1 7 . 1 1 25 25 SER CB C 25 62.650 62.650 63.205 -0.555 25421
1209 1 7 . 1 1 25 25 SER H H 25 9.029 9.029 8.994 0.035 25421
1210 1 7 . 1 1 26 26 ARG N N 26 119.221 119.221 119.857 -0.636 25421
1211 1 7 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.039 0.086 25421
1212 1 7 . 1 1 26 26 ARG C C 26 177.031 177.031 176.445 0.586 25421
1213 1 7 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.249 -0.314 25421
1214 1 7 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.948 1.172 25421
1215 1 7 . 1 1 26 26 ARG H H 26 7.880 7.880 8.148 -0.268 25421
1216 1 7 . 1 1 27 27 ASP N N 27 115.090 115.090 114.849 0.241 25421
1217 1 7 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.310 -0.037 25421
1218 1 7 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.140 1.417 25421
1219 1 7 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.044 -0.089 25421
1220 1 7 . 1 1 27 27 ASP H H 27 7.396 7.396 7.461 -0.065 25421
1221 1 7 . 1 1 28 28 LYS N N 28 114.145 114.145 117.495 -3.350 25421
1222 1 7 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.954 -0.112 25421
1223 1 7 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.324 0.162 25421
1224 1 7 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.241 -2.175 25421
1225 1 7 . 1 1 28 28 LYS H H 28 8.096 8.096 7.865 0.231 25421
1226 1 7 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.297 0.100 25421
1227 1 7 . 1 1 29 29 TRP C C 29 177.187 177.187 174.815 2.372 25421
1228 1 7 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.121 2.583 25421
1229 1 7 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.851 1.428 25421
1230 1 7 . 1 1 30 30 CYS N N 30 119.238 119.238 119.039 0.199 25421
1231 1 7 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.169 -0.273 25421
1232 1 7 . 1 1 30 30 CYS C C 30 174.364 174.364 174.770 -0.406 25421
1233 1 7 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.205 -2.619 25421
1234 1 7 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.666 10.540 25421
1235 1 7 . 1 1 30 30 CYS H H 30 8.447 8.447 8.161 0.286 25421
1236 1 7 . 1 1 31 31 LYS N N 31 124.793 124.793 120.583 4.210 25421
1237 1 7 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.900 0.141 25421
1238 1 7 . 1 1 31 31 LYS C C 31 175.662 175.662 174.833 0.829 25421
1239 1 7 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.139 1.037 25421
1240 1 7 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.048 -0.173 25421
1241 1 7 . 1 1 31 31 LYS H H 31 9.191 9.191 8.806 0.385 25421
1242 1 7 . 1 1 32 32 VAL N N 32 121.483 121.483 121.956 -0.473 25421
1243 1 7 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.872 -0.051 25421
1244 1 7 . 1 1 32 32 VAL C C 32 175.973 175.973 174.638 1.335 25421
1245 1 7 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.906 4.167 25421
1246 1 7 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.162 -0.794 25421
1247 1 7 . 1 1 32 32 VAL H H 32 8.424 8.424 8.489 -0.065 25421
1248 1 7 . 1 1 33 33 LEU N N 33 128.865 128.865 129.036 -0.171 25421
1249 1 7 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.319 -0.012 25421
1250 1 7 . 1 1 33 33 LEU C C 33 175.217 175.217 177.009 -1.792 25421
1251 1 7 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.278 0.037 25421
1252 1 7 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.776 0.812 25421
1253 1 7 . 1 1 33 33 LEU H H 33 8.045 8.045 8.192 -0.147 25421
1254 1 8 . 1 1 2 2 GLU N N 2 120.667 120.667 119.714 0.953 25421
1255 1 8 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.595 -0.169 25421
1256 1 8 . 1 1 2 2 GLU C C 2 175.960 175.960 176.545 -0.585 25421
1257 1 8 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.093 -0.020 25421
1258 1 8 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.969 -0.530 25421
1259 1 8 . 1 1 2 2 GLU H H 2 8.716 8.716 8.587 0.129 25421
1260 1 8 . 1 1 3 3 CYS N N 3 119.340 119.340 117.435 1.905 25421
1261 1 8 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.615 0.207 25421
1262 1 8 . 1 1 3 3 CYS C C 3 173.426 173.426 175.474 -2.048 25421
1263 1 8 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.445 -1.745 25421
1264 1 8 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.216 13.400 25421
1265 1 8 . 1 1 3 3 CYS H H 3 8.457 8.457 8.457 -0.000 25421
1266 1 8 . 1 1 4 4 LYS N N 4 121.064 121.064 122.188 -1.124 25421
1267 1 8 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.137 0.189 25421
1268 1 8 . 1 1 4 4 LYS C C 4 174.620 174.620 177.020 -2.400 25421
1269 1 8 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.771 -1.168 25421
1270 1 8 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.994 1.316 25421
1271 1 8 . 1 1 4 4 LYS H H 4 8.763 8.763 8.070 0.693 25421
1272 1 8 . 1 1 5 5 GLY N N 5 109.502 109.502 107.231 2.271 25421
1273 1 8 . 1 1 5 5 GLY C C 5 171.833 171.833 173.705 -1.872 25421
1274 1 8 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.209 -2.567 25421
1275 1 8 . 1 1 5 5 GLY H H 5 7.983 7.983 7.975 0.008 25421
1276 1 8 . 1 1 6 6 PHE N N 6 117.331 117.331 119.111 -1.780 25421
1277 1 8 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.916 -1.290 25421
1278 1 8 . 1 1 6 6 PHE C C 6 176.435 176.435 175.055 1.380 25421
1279 1 8 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.282 -0.369 25421
1280 1 8 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.062 -1.979 25421
1281 1 8 . 1 1 6 6 PHE H H 6 7.581 7.581 8.029 -0.448 25421
1282 1 8 . 1 1 7 7 TRP N N 7 123.869 123.869 117.089 6.780 25421
1283 1 8 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.502 -0.914 25421
1284 1 8 . 1 1 7 7 TRP C C 7 175.204 175.204 175.587 -0.383 25421
1285 1 8 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.039 2.481 25421
1286 1 8 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.671 -0.384 25421
1287 1 8 . 1 1 7 7 TRP H H 7 8.997 8.997 7.661 1.336 25421
1288 1 8 . 1 1 8 8 LYS N N 8 118.614 118.614 121.220 -2.606 25421
1289 1 8 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.998 0.512 25421
1290 1 8 . 1 1 8 8 LYS C C 8 176.595 176.595 175.970 0.625 25421
1291 1 8 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.009 -2.025 25421
1292 1 8 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.839 -0.043 25421
1293 1 8 . 1 1 8 8 LYS H H 8 7.719 7.719 7.280 0.439 25421
1294 1 8 . 1 1 9 9 SER N N 9 116.747 116.747 114.562 2.185 25421
1295 1 8 . 1 1 9 9 SER HA H 9 4.808 4.808 4.833 -0.025 25421
1296 1 8 . 1 1 9 9 SER C C 9 172.976 172.976 173.087 -0.111 25421
1297 1 8 . 1 1 9 9 SER CA C 9 59.175 59.175 57.616 1.559 25421
1298 1 8 . 1 1 9 9 SER CB C 9 63.827 63.827 63.723 0.104 25421
1299 1 8 . 1 1 9 9 SER H H 9 8.430 8.430 8.252 0.178 25421
1300 1 8 . 1 1 10 10 CYS N N 10 118.508 118.508 121.986 -3.478 25421
1301 1 8 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.002 -0.024 25421
1302 1 8 . 1 1 10 10 CYS C C 10 172.556 172.556 173.010 -0.454 25421
1303 1 8 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.092 -2.814 25421
1304 1 8 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.821 15.939 25421
1305 1 8 . 1 1 10 10 CYS H H 10 8.142 8.142 7.951 0.191 25421
1306 1 8 . 1 1 11 11 VAL N N 11 122.963 122.963 115.031 7.932 25421
1307 1 8 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.565 -0.230 25421
1308 1 8 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.055 1.269 25421
1309 1 8 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.941 -0.017 25421
1310 1 8 . 1 1 11 11 VAL H H 11 8.835 8.835 8.083 0.752 25421
1311 1 8 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.426 -0.483 25421
1312 1 8 . 1 1 12 12 PRO C C 12 176.806 176.806 177.685 -0.879 25421
1313 1 8 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.438 0.891 25421
1314 1 8 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.528 0.261 25421
1315 1 8 . 1 1 13 13 GLY N N 13 111.847 111.847 112.868 -1.021 25421
1316 1 8 . 1 1 13 13 GLY C C 13 174.856 174.856 175.390 -0.534 25421
1317 1 8 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.828 -0.532 25421
1318 1 8 . 1 1 13 13 GLY H H 13 8.826 8.826 8.417 0.409 25421
1319 1 8 . 1 1 14 14 LYS N N 14 117.957 117.957 121.698 -3.741 25421
1320 1 8 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.335 0.148 25421
1321 1 8 . 1 1 14 14 LYS C C 14 175.718 175.718 176.901 -1.183 25421
1322 1 8 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.506 -1.093 25421
1323 1 8 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.214 -0.361 25421
1324 1 8 . 1 1 14 14 LYS H H 14 7.590 7.590 7.681 -0.091 25421
1325 1 8 . 1 1 15 15 ASN N N 15 118.663 118.663 114.833 3.830 25421
1326 1 8 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.447 0.230 25421
1327 1 8 . 1 1 15 15 ASN C C 15 175.372 175.372 174.927 0.445 25421
1328 1 8 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.865 -0.243 25421
1329 1 8 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.407 0.964 25421
1330 1 8 . 1 1 15 15 ASN H H 15 8.473 8.473 8.035 0.438 25421
1331 1 8 . 1 1 16 16 GLU N N 16 115.492 115.492 115.682 -0.190 25421
1332 1 8 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.122 0.182 25421
1333 1 8 . 1 1 16 16 GLU C C 16 178.083 178.083 177.562 0.521 25421
1334 1 8 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.719 -0.297 25421
1335 1 8 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.773 2.753 25421
1336 1 8 . 1 1 16 16 GLU H H 16 8.848 8.848 8.718 0.130 25421
1337 1 8 . 1 1 17 17 CYS N N 17 117.244 117.244 117.389 -0.145 25421
1338 1 8 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.106 1.070 25421
1339 1 8 . 1 1 17 17 CYS C C 17 175.716 175.716 175.986 -0.270 25421
1340 1 8 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.594 -5.064 25421
1341 1 8 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.213 12.861 25421
1342 1 8 . 1 1 17 17 CYS H H 17 8.278 8.278 8.202 0.076 25421
1343 1 8 . 1 1 18 18 CYS N N 18 121.456 121.456 121.148 0.308 25421
1344 1 8 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.465 0.101 25421
1345 1 8 . 1 1 18 18 CYS C C 18 172.720 172.720 175.351 -2.631 25421
1346 1 8 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.724 -4.388 25421
1347 1 8 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.373 12.770 25421
1348 1 8 . 1 1 18 18 CYS H H 18 9.308 9.308 8.443 0.865 25421
1349 1 8 . 1 1 19 19 SER N N 19 114.196 114.196 117.892 -3.696 25421
1350 1 8 . 1 1 19 19 SER HA H 19 4.273 4.273 4.288 -0.015 25421
1351 1 8 . 1 1 19 19 SER C C 19 175.114 175.114 175.590 -0.476 25421
1352 1 8 . 1 1 19 19 SER CA C 19 60.335 60.335 59.949 0.386 25421
1353 1 8 . 1 1 19 19 SER CB C 19 63.047 63.047 63.415 -0.368 25421
1354 1 8 . 1 1 19 19 SER H H 19 8.461 8.461 8.746 -0.285 25421
1355 1 8 . 1 1 20 20 GLY N N 20 113.736 113.736 113.281 0.455 25421
1356 1 8 . 1 1 20 20 GLY C C 20 173.468 173.468 173.283 0.185 25421
1357 1 8 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.867 -0.285 25421
1358 1 8 . 1 1 20 20 GLY H H 20 8.836 8.836 8.709 0.127 25421
1359 1 8 . 1 1 21 21 TYR N N 21 118.820 118.820 119.013 -0.193 25421
1360 1 8 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.085 0.184 25421
1361 1 8 . 1 1 21 21 TYR C C 21 174.011 174.011 174.228 -0.217 25421
1362 1 8 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.169 -0.114 25421
1363 1 8 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.326 0.333 25421
1364 1 8 . 1 1 21 21 TYR H H 21 8.276 8.276 7.545 0.731 25421
1365 1 8 . 1 1 22 22 ALA N N 22 120.868 120.868 124.255 -3.387 25421
1366 1 8 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.765 -0.112 25421
1367 1 8 . 1 1 22 22 ALA C C 22 176.439 176.439 175.209 1.230 25421
1368 1 8 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.003 0.968 25421
1369 1 8 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.240 0.866 25421
1370 1 8 . 1 1 22 22 ALA H H 22 9.357 9.357 8.366 0.991 25421
1371 1 8 . 1 1 23 23 CYS N N 23 122.679 122.679 118.224 4.455 25421
1372 1 8 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.173 -0.608 25421
1373 1 8 . 1 1 23 23 CYS C C 23 174.530 174.530 174.838 -0.308 25421
1374 1 8 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.249 -2.545 25421
1375 1 8 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.412 12.428 25421
1376 1 8 . 1 1 23 23 CYS H H 23 8.917 8.917 8.706 0.211 25421
1377 1 8 . 1 1 24 24 SER N N 24 123.845 123.845 120.468 3.377 25421
1378 1 8 . 1 1 24 24 SER HA H 24 4.455 4.455 4.907 -0.452 25421
1379 1 8 . 1 1 24 24 SER C C 24 175.964 175.964 174.614 1.350 25421
1380 1 8 . 1 1 24 24 SER CA C 24 57.449 57.449 57.089 0.360 25421
1381 1 8 . 1 1 24 24 SER CB C 24 63.616 63.616 64.543 -0.927 25421
1382 1 8 . 1 1 24 24 SER H H 24 8.057 8.057 8.710 -0.653 25421
1383 1 8 . 1 1 25 25 SER N N 25 124.964 124.964 123.779 1.185 25421
1384 1 8 . 1 1 25 25 SER HA H 25 3.977 3.977 4.228 -0.251 25421
1385 1 8 . 1 1 25 25 SER C C 25 174.925 174.925 175.632 -0.707 25421
1386 1 8 . 1 1 25 25 SER CA C 25 61.411 61.411 59.721 1.690 25421
1387 1 8 . 1 1 25 25 SER CB C 25 62.650 62.650 63.285 -0.635 25421
1388 1 8 . 1 1 25 25 SER H H 25 9.029 9.029 9.058 -0.029 25421
1389 1 8 . 1 1 26 26 ARG N N 26 119.221 119.221 119.746 -0.525 25421
1390 1 8 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.053 0.072 25421
1391 1 8 . 1 1 26 26 ARG C C 26 177.031 177.031 176.847 0.184 25421
1392 1 8 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.384 -0.449 25421
1393 1 8 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.288 0.832 25421
1394 1 8 . 1 1 26 26 ARG H H 26 7.880 7.880 8.159 -0.279 25421
1395 1 8 . 1 1 27 27 ASP N N 27 115.090 115.090 114.680 0.410 25421
1396 1 8 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.378 -0.105 25421
1397 1 8 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.900 1.657 25421
1398 1 8 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.093 -0.138 25421
1399 1 8 . 1 1 27 27 ASP H H 27 7.396 7.396 7.523 -0.127 25421
1400 1 8 . 1 1 28 28 LYS N N 28 114.145 114.145 117.464 -3.319 25421
1401 1 8 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.969 -0.127 25421
1402 1 8 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.350 0.136 25421
1403 1 8 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.184 -2.118 25421
1404 1 8 . 1 1 28 28 LYS H H 28 8.096 8.096 7.938 0.158 25421
1405 1 8 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.430 -0.033 25421
1406 1 8 . 1 1 29 29 TRP C C 29 177.187 177.187 175.066 2.121 25421
1407 1 8 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.257 2.447 25421
1408 1 8 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.055 1.224 25421
1409 1 8 . 1 1 30 30 CYS N N 30 119.238 119.238 119.018 0.220 25421
1410 1 8 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.194 -0.298 25421
1411 1 8 . 1 1 30 30 CYS C C 30 174.364 174.364 174.699 -0.335 25421
1412 1 8 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.194 -2.608 25421
1413 1 8 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.726 10.480 25421
1414 1 8 . 1 1 30 30 CYS H H 30 8.447 8.447 8.160 0.287 25421
1415 1 8 . 1 1 31 31 LYS N N 31 124.793 124.793 119.799 4.994 25421
1416 1 8 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421
1417 1 8 . 1 1 31 31 LYS C C 31 175.662 175.662 174.759 0.903 25421
1418 1 8 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.641 0.535 25421
1419 1 8 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.957 -0.082 25421
1420 1 8 . 1 1 31 31 LYS H H 31 9.191 9.191 8.735 0.456 25421
1421 1 8 . 1 1 32 32 VAL N N 32 121.483 121.483 122.088 -0.605 25421
1422 1 8 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.952 -0.131 25421
1423 1 8 . 1 1 32 32 VAL C C 32 175.973 175.973 174.505 1.468 25421
1424 1 8 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.422 3.651 25421
1425 1 8 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.758 -1.390 25421
1426 1 8 . 1 1 32 32 VAL H H 32 8.424 8.424 8.493 -0.069 25421
1427 1 8 . 1 1 33 33 LEU N N 33 128.865 128.865 128.231 0.634 25421
1428 1 8 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.510 -0.203 25421
1429 1 8 . 1 1 33 33 LEU C C 33 175.217 175.217 177.024 -1.807 25421
1430 1 8 . 1 1 33 33 LEU CA C 33 55.315 55.315 53.926 1.389 25421
1431 1 8 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.362 0.227 25421
1432 1 8 . 1 1 33 33 LEU H H 33 8.045 8.045 7.791 0.254 25421
1433 1 9 . 1 1 2 2 GLU N N 2 120.667 120.667 119.758 0.909 25421
1434 1 9 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.563 -0.137 25421
1435 1 9 . 1 1 2 2 GLU C C 2 175.960 175.960 176.124 -0.164 25421
1436 1 9 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.846 0.227 25421
1437 1 9 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.501 -1.062 25421
1438 1 9 . 1 1 2 2 GLU H H 2 8.716 8.716 8.254 0.462 25421
1439 1 9 . 1 1 3 3 CYS N N 3 119.340 119.340 119.010 0.330 25421
1440 1 9 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.467 0.355 25421
1441 1 9 . 1 1 3 3 CYS C C 3 173.426 173.426 175.677 -2.251 25421
1442 1 9 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.511 -2.811 25421
1443 1 9 . 1 1 3 3 CYS CB C 3 42.616 42.616 27.927 14.689 25421
1444 1 9 . 1 1 3 3 CYS H H 3 8.457 8.457 8.467 -0.010 25421
1445 1 9 . 1 1 4 4 LYS N N 4 121.064 121.064 123.868 -2.804 25421
1446 1 9 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.201 0.125 25421
1447 1 9 . 1 1 4 4 LYS C C 4 174.620 174.620 177.457 -2.837 25421
1448 1 9 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.879 -1.276 25421
1449 1 9 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.009 1.301 25421
1450 1 9 . 1 1 4 4 LYS H H 4 8.763 8.763 8.218 0.545 25421
1451 1 9 . 1 1 5 5 GLY N N 5 109.502 109.502 107.370 2.132 25421
1452 1 9 . 1 1 5 5 GLY C C 5 171.833 171.833 173.846 -2.013 25421
1453 1 9 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.443 -2.801 25421
1454 1 9 . 1 1 5 5 GLY H H 5 7.983 7.983 8.231 -0.248 25421
1455 1 9 . 1 1 6 6 PHE N N 6 117.331 117.331 118.938 -1.607 25421
1456 1 9 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.861 -1.235 25421
1457 1 9 . 1 1 6 6 PHE C C 6 176.435 176.435 174.709 1.726 25421
1458 1 9 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.929 -0.016 25421
1459 1 9 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.909 -1.826 25421
1460 1 9 . 1 1 6 6 PHE H H 6 7.581 7.581 8.316 -0.735 25421
1461 1 9 . 1 1 7 7 TRP N N 7 123.869 123.869 119.882 3.987 25421
1462 1 9 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.416 -0.828 25421
1463 1 9 . 1 1 7 7 TRP C C 7 175.204 175.204 176.218 -1.014 25421
1464 1 9 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.858 1.662 25421
1465 1 9 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.957 -1.670 25421
1466 1 9 . 1 1 7 7 TRP H H 7 8.997 8.997 7.986 1.011 25421
1467 1 9 . 1 1 8 8 LYS N N 8 118.614 118.614 120.367 -1.753 25421
1468 1 9 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.430 0.080 25421
1469 1 9 . 1 1 8 8 LYS C C 8 176.595 176.595 176.324 0.271 25421
1470 1 9 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.765 -2.781 25421
1471 1 9 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.946 -0.150 25421
1472 1 9 . 1 1 8 8 LYS H H 8 7.719 7.719 7.691 0.028 25421
1473 1 9 . 1 1 9 9 SER N N 9 116.747 116.747 115.148 1.599 25421
1474 1 9 . 1 1 9 9 SER HA H 9 4.808 4.808 4.941 -0.133 25421
1475 1 9 . 1 1 9 9 SER C C 9 172.976 172.976 173.324 -0.348 25421
1476 1 9 . 1 1 9 9 SER CA C 9 59.175 59.175 57.594 1.581 25421
1477 1 9 . 1 1 9 9 SER CB C 9 63.827 63.827 63.729 0.098 25421
1478 1 9 . 1 1 9 9 SER H H 9 8.430 8.430 8.403 0.027 25421
1479 1 9 . 1 1 10 10 CYS N N 10 118.508 118.508 121.978 -3.470 25421
1480 1 9 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.057 -0.079 25421
1481 1 9 . 1 1 10 10 CYS C C 10 172.556 172.556 172.810 -0.254 25421
1482 1 9 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.498 -3.220 25421
1483 1 9 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.637 16.123 25421
1484 1 9 . 1 1 10 10 CYS H H 10 8.142 8.142 8.108 0.034 25421
1485 1 9 . 1 1 11 11 VAL N N 11 122.963 122.963 114.927 8.036 25421
1486 1 9 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.575 -0.240 25421
1487 1 9 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.559 1.765 25421
1488 1 9 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.849 0.074 25421
1489 1 9 . 1 1 11 11 VAL H H 11 8.835 8.835 7.999 0.836 25421
1490 1 9 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.316 -0.373 25421
1491 1 9 . 1 1 12 12 PRO C C 12 176.806 176.806 177.428 -0.622 25421
1492 1 9 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.806 0.523 25421
1493 1 9 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.495 0.293 25421
1494 1 9 . 1 1 13 13 GLY N N 13 111.847 111.847 113.734 -1.887 25421
1495 1 9 . 1 1 13 13 GLY C C 13 174.856 174.856 175.241 -0.385 25421
1496 1 9 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.303 -0.007 25421
1497 1 9 . 1 1 13 13 GLY H H 13 8.826 8.826 8.604 0.222 25421
1498 1 9 . 1 1 14 14 LYS N N 14 117.957 117.957 121.289 -3.332 25421
1499 1 9 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.335 0.148 25421
1500 1 9 . 1 1 14 14 LYS C C 14 175.718 175.718 176.748 -1.030 25421
1501 1 9 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.360 -0.947 25421
1502 1 9 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.254 -0.401 25421
1503 1 9 . 1 1 14 14 LYS H H 14 7.590 7.590 7.620 -0.030 25421
1504 1 9 . 1 1 15 15 ASN N N 15 118.663 118.663 115.002 3.661 25421
1505 1 9 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.473 0.204 25421
1506 1 9 . 1 1 15 15 ASN C C 15 175.372 175.372 175.039 0.333 25421
1507 1 9 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.960 -0.338 25421
1508 1 9 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.902 0.469 25421
1509 1 9 . 1 1 15 15 ASN H H 15 8.473 8.473 8.002 0.471 25421
1510 1 9 . 1 1 16 16 GLU N N 16 115.492 115.492 115.325 0.167 25421
1511 1 9 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.190 0.114 25421
1512 1 9 . 1 1 16 16 GLU C C 16 178.083 178.083 177.528 0.555 25421
1513 1 9 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.582 -0.160 25421
1514 1 9 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.968 2.558 25421
1515 1 9 . 1 1 16 16 GLU H H 16 8.848 8.848 8.723 0.125 25421
1516 1 9 . 1 1 17 17 CYS N N 17 117.244 117.244 117.774 -0.530 25421
1517 1 9 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.170 1.006 25421
1518 1 9 . 1 1 17 17 CYS C C 17 175.716 175.716 175.974 -0.258 25421
1519 1 9 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.536 -5.006 25421
1520 1 9 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.301 12.773 25421
1521 1 9 . 1 1 17 17 CYS H H 17 8.278 8.278 8.212 0.066 25421
1522 1 9 . 1 1 18 18 CYS N N 18 121.456 121.456 121.052 0.404 25421
1523 1 9 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.488 0.078 25421
1524 1 9 . 1 1 18 18 CYS C C 18 172.720 172.720 175.731 -3.011 25421
1525 1 9 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.761 -4.425 25421
1526 1 9 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.139 13.004 25421
1527 1 9 . 1 1 18 18 CYS H H 18 9.308 9.308 8.565 0.743 25421
1528 1 9 . 1 1 19 19 SER N N 19 114.196 114.196 118.453 -4.257 25421
1529 1 9 . 1 1 19 19 SER HA H 19 4.273 4.273 4.257 0.016 25421
1530 1 9 . 1 1 19 19 SER C C 19 175.114 175.114 175.684 -0.570 25421
1531 1 9 . 1 1 19 19 SER CA C 19 60.335 60.335 59.989 0.346 25421
1532 1 9 . 1 1 19 19 SER CB C 19 63.047 63.047 63.503 -0.456 25421
1533 1 9 . 1 1 19 19 SER H H 19 8.461 8.461 8.765 -0.304 25421
1534 1 9 . 1 1 20 20 GLY N N 20 113.736 113.736 113.738 -0.002 25421
1535 1 9 . 1 1 20 20 GLY C C 20 173.468 173.468 174.071 -0.603 25421
1536 1 9 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.828 -0.246 25421
1537 1 9 . 1 1 20 20 GLY H H 20 8.836 8.836 8.628 0.208 25421
1538 1 9 . 1 1 21 21 TYR N N 21 118.820 118.820 121.236 -2.416 25421
1539 1 9 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.854 0.415 25421
1540 1 9 . 1 1 21 21 TYR C C 21 174.011 174.011 174.634 -0.623 25421
1541 1 9 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.283 -1.228 25421
1542 1 9 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.533 2.126 25421
1543 1 9 . 1 1 21 21 TYR H H 21 8.276 8.276 7.981 0.295 25421
1544 1 9 . 1 1 22 22 ALA N N 22 120.868 120.868 124.296 -3.428 25421
1545 1 9 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.679 -0.026 25421
1546 1 9 . 1 1 22 22 ALA C C 22 176.439 176.439 175.075 1.364 25421
1547 1 9 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.332 0.639 25421
1548 1 9 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.605 1.501 25421
1549 1 9 . 1 1 22 22 ALA H H 22 9.357 9.357 8.301 1.056 25421
1550 1 9 . 1 1 23 23 CYS N N 23 122.679 122.679 118.065 4.614 25421
1551 1 9 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.115 -0.550 25421
1552 1 9 . 1 1 23 23 CYS C C 23 174.530 174.530 174.882 -0.352 25421
1553 1 9 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.186 -2.482 25421
1554 1 9 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.449 12.391 25421
1555 1 9 . 1 1 23 23 CYS H H 23 8.917 8.917 8.408 0.509 25421
1556 1 9 . 1 1 24 24 SER N N 24 123.845 123.845 120.882 2.963 25421
1557 1 9 . 1 1 24 24 SER HA H 24 4.455 4.455 4.833 -0.378 25421
1558 1 9 . 1 1 24 24 SER C C 24 175.964 175.964 174.517 1.447 25421
1559 1 9 . 1 1 24 24 SER CA C 24 57.449 57.449 57.307 0.142 25421
1560 1 9 . 1 1 24 24 SER CB C 24 63.616 63.616 64.416 -0.800 25421
1561 1 9 . 1 1 24 24 SER H H 24 8.057 8.057 8.635 -0.578 25421
1562 1 9 . 1 1 25 25 SER N N 25 124.964 124.964 123.648 1.316 25421
1563 1 9 . 1 1 25 25 SER HA H 25 3.977 3.977 4.272 -0.295 25421
1564 1 9 . 1 1 25 25 SER C C 25 174.925 174.925 175.703 -0.778 25421
1565 1 9 . 1 1 25 25 SER CA C 25 61.411 61.411 59.905 1.506 25421
1566 1 9 . 1 1 25 25 SER CB C 25 62.650 62.650 62.984 -0.334 25421
1567 1 9 . 1 1 25 25 SER H H 25 9.029 9.029 8.951 0.078 25421
1568 1 9 . 1 1 26 26 ARG N N 26 119.221 119.221 120.454 -1.233 25421
1569 1 9 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.112 0.013 25421
1570 1 9 . 1 1 26 26 ARG C C 26 177.031 177.031 176.812 0.219 25421
1571 1 9 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.477 -0.541 25421
1572 1 9 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.479 0.641 25421
1573 1 9 . 1 1 26 26 ARG H H 26 7.880 7.880 7.925 -0.045 25421
1574 1 9 . 1 1 27 27 ASP N N 27 115.090 115.090 115.829 -0.739 25421
1575 1 9 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.407 -0.134 25421
1576 1 9 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.315 1.242 25421
1577 1 9 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.674 0.281 25421
1578 1 9 . 1 1 27 27 ASP H H 27 7.396 7.396 7.444 -0.048 25421
1579 1 9 . 1 1 28 28 LYS N N 28 114.145 114.145 116.975 -2.830 25421
1580 1 9 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.025 -0.183 25421
1581 1 9 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.447 0.039 25421
1582 1 9 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.776 -1.710 25421
1583 1 9 . 1 1 28 28 LYS H H 28 8.096 8.096 7.913 0.183 25421
1584 1 9 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.453 -0.056 25421
1585 1 9 . 1 1 29 29 TRP C C 29 177.187 177.187 174.961 2.226 25421
1586 1 9 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.042 2.662 25421
1587 1 9 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.816 1.463 25421
1588 1 9 . 1 1 30 30 CYS N N 30 119.238 119.238 119.114 0.124 25421
1589 1 9 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.132 -0.236 25421
1590 1 9 . 1 1 30 30 CYS C C 30 174.364 174.364 174.538 -0.174 25421
1591 1 9 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.224 -2.639 25421
1592 1 9 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.555 10.651 25421
1593 1 9 . 1 1 30 30 CYS H H 30 8.447 8.447 8.194 0.253 25421
1594 1 9 . 1 1 31 31 LYS N N 31 124.793 124.793 120.317 4.476 25421
1595 1 9 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.758 0.283 25421
1596 1 9 . 1 1 31 31 LYS C C 31 175.662 175.662 174.775 0.887 25421
1597 1 9 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.439 0.737 25421
1598 1 9 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.952 -0.077 25421
1599 1 9 . 1 1 31 31 LYS H H 31 9.191 9.191 8.722 0.469 25421
1600 1 9 . 1 1 32 32 VAL N N 32 121.483 121.483 121.683 -0.200 25421
1601 1 9 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.927 -0.106 25421
1602 1 9 . 1 1 32 32 VAL C C 32 175.973 175.973 174.265 1.708 25421
1603 1 9 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.025 4.048 25421
1604 1 9 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.364 -0.996 25421
1605 1 9 . 1 1 32 32 VAL H H 32 8.424 8.424 8.467 -0.043 25421
1606 1 9 . 1 1 33 33 LEU N N 33 128.865 128.865 128.788 0.077 25421
1607 1 9 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.297 0.010 25421
1608 1 9 . 1 1 33 33 LEU C C 33 175.217 175.217 177.410 -2.193 25421
1609 1 9 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.140 0.175 25421
1610 1 9 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.988 0.601 25421
1611 1 9 . 1 1 33 33 LEU H H 33 8.045 8.045 8.265 -0.220 25421
1612 1 10 . 1 1 2 2 GLU N N 2 120.667 120.667 120.993 -0.326 25421
1613 1 10 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.578 -0.152 25421
1614 1 10 . 1 1 2 2 GLU C C 2 175.960 175.960 176.495 -0.535 25421
1615 1 10 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.989 0.084 25421
1616 1 10 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.579 -0.140 25421
1617 1 10 . 1 1 2 2 GLU H H 2 8.716 8.716 8.418 0.298 25421
1618 1 10 . 1 1 3 3 CYS N N 3 119.340 119.340 118.283 1.057 25421
1619 1 10 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.620 0.202 25421
1620 1 10 . 1 1 3 3 CYS C C 3 173.426 173.426 175.407 -1.981 25421
1621 1 10 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.834 -2.134 25421
1622 1 10 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.134 13.482 25421
1623 1 10 . 1 1 3 3 CYS H H 3 8.457 8.457 8.482 -0.025 25421
1624 1 10 . 1 1 4 4 LYS N N 4 121.064 121.064 122.353 -1.289 25421
1625 1 10 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.259 0.067 25421
1626 1 10 . 1 1 4 4 LYS C C 4 174.620 174.620 177.054 -2.434 25421
1627 1 10 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.913 -1.310 25421
1628 1 10 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.068 1.242 25421
1629 1 10 . 1 1 4 4 LYS H H 4 8.763 8.763 8.098 0.665 25421
1630 1 10 . 1 1 5 5 GLY N N 5 109.502 109.502 107.363 2.139 25421
1631 1 10 . 1 1 5 5 GLY C C 5 171.833 171.833 173.913 -2.080 25421
1632 1 10 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.430 -2.788 25421
1633 1 10 . 1 1 5 5 GLY H H 5 7.983 7.983 8.221 -0.238 25421
1634 1 10 . 1 1 6 6 PHE N N 6 117.331 117.331 118.543 -1.212 25421
1635 1 10 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.952 -1.326 25421
1636 1 10 . 1 1 6 6 PHE C C 6 176.435 176.435 175.057 1.378 25421
1637 1 10 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.901 0.012 25421
1638 1 10 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.326 -2.243 25421
1639 1 10 . 1 1 6 6 PHE H H 6 7.581 7.581 8.239 -0.658 25421
1640 1 10 . 1 1 7 7 TRP N N 7 123.869 123.869 120.938 2.931 25421
1641 1 10 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.364 -0.776 25421
1642 1 10 . 1 1 7 7 TRP C C 7 175.204 175.204 175.844 -0.640 25421
1643 1 10 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.767 1.753 25421
1644 1 10 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.026 -1.739 25421
1645 1 10 . 1 1 7 7 TRP H H 7 8.997 8.997 8.087 0.910 25421
1646 1 10 . 1 1 8 8 LYS N N 8 118.614 118.614 120.316 -1.702 25421
1647 1 10 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.253 0.257 25421
1648 1 10 . 1 1 8 8 LYS C C 8 176.595 176.595 175.802 0.793 25421
1649 1 10 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.650 -2.666 25421
1650 1 10 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.006 -0.210 25421
1651 1 10 . 1 1 8 8 LYS H H 8 7.719 7.719 7.752 -0.033 25421
1652 1 10 . 1 1 9 9 SER N N 9 116.747 116.747 114.849 1.898 25421
1653 1 10 . 1 1 9 9 SER HA H 9 4.808 4.808 4.793 0.015 25421
1654 1 10 . 1 1 9 9 SER C C 9 172.976 172.976 173.281 -0.305 25421
1655 1 10 . 1 1 9 9 SER CA C 9 59.175 59.175 57.346 1.829 25421
1656 1 10 . 1 1 9 9 SER CB C 9 63.827 63.827 63.847 -0.020 25421
1657 1 10 . 1 1 9 9 SER H H 9 8.430 8.430 8.266 0.164 25421
1658 1 10 . 1 1 10 10 CYS N N 10 118.508 118.508 121.070 -2.562 25421
1659 1 10 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.903 0.075 25421
1660 1 10 . 1 1 10 10 CYS C C 10 172.556 172.556 173.090 -0.534 25421
1661 1 10 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.255 -2.977 25421
1662 1 10 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.080 15.680 25421
1663 1 10 . 1 1 10 10 CYS H H 10 8.142 8.142 8.103 0.039 25421
1664 1 10 . 1 1 11 11 VAL N N 11 122.963 122.963 114.949 8.014 25421
1665 1 10 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.605 -0.270 25421
1666 1 10 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.308 1.016 25421
1667 1 10 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.842 0.081 25421
1668 1 10 . 1 1 11 11 VAL H H 11 8.835 8.835 8.348 0.487 25421
1669 1 10 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.393 -0.450 25421
1670 1 10 . 1 1 12 12 PRO C C 12 176.806 176.806 177.502 -0.696 25421
1671 1 10 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.517 0.812 25421
1672 1 10 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.654 0.135 25421
1673 1 10 . 1 1 13 13 GLY N N 13 111.847 111.847 112.650 -0.803 25421
1674 1 10 . 1 1 13 13 GLY C C 13 174.856 174.856 175.522 -0.666 25421
1675 1 10 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.709 -0.413 25421
1676 1 10 . 1 1 13 13 GLY H H 13 8.826 8.826 8.529 0.297 25421
1677 1 10 . 1 1 14 14 LYS N N 14 117.957 117.957 121.672 -3.715 25421
1678 1 10 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.333 0.150 25421
1679 1 10 . 1 1 14 14 LYS C C 14 175.718 175.718 176.898 -1.180 25421
1680 1 10 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.514 -1.101 25421
1681 1 10 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.208 -0.355 25421
1682 1 10 . 1 1 14 14 LYS H H 14 7.590 7.590 7.696 -0.106 25421
1683 1 10 . 1 1 15 15 ASN N N 15 118.663 118.663 115.125 3.538 25421
1684 1 10 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.451 0.226 25421
1685 1 10 . 1 1 15 15 ASN C C 15 175.372 175.372 175.040 0.332 25421
1686 1 10 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.980 -0.358 25421
1687 1 10 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.213 1.158 25421
1688 1 10 . 1 1 15 15 ASN H H 15 8.473 8.473 8.049 0.424 25421
1689 1 10 . 1 1 16 16 GLU N N 16 115.492 115.492 115.675 -0.183 25421
1690 1 10 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.126 0.178 25421
1691 1 10 . 1 1 16 16 GLU C C 16 178.083 178.083 177.484 0.599 25421
1692 1 10 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.097 -0.675 25421
1693 1 10 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.018 2.508 25421
1694 1 10 . 1 1 16 16 GLU H H 16 8.848 8.848 8.667 0.181 25421
1695 1 10 . 1 1 17 17 CYS N N 17 117.244 117.244 117.077 0.167 25421
1696 1 10 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421
1697 1 10 . 1 1 17 17 CYS C C 17 175.716 175.716 176.121 -0.405 25421
1698 1 10 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.365 -4.835 25421
1699 1 10 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.280 12.794 25421
1700 1 10 . 1 1 17 17 CYS H H 17 8.278 8.278 8.066 0.212 25421
1701 1 10 . 1 1 18 18 CYS N N 18 121.456 121.456 121.185 0.271 25421
1702 1 10 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.509 0.057 25421
1703 1 10 . 1 1 18 18 CYS C C 18 172.720 172.720 175.763 -3.043 25421
1704 1 10 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.839 -4.503 25421
1705 1 10 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.271 12.872 25421
1706 1 10 . 1 1 18 18 CYS H H 18 9.308 9.308 8.691 0.617 25421
1707 1 10 . 1 1 19 19 SER N N 19 114.196 114.196 118.031 -3.835 25421
1708 1 10 . 1 1 19 19 SER HA H 19 4.273 4.273 4.289 -0.016 25421
1709 1 10 . 1 1 19 19 SER C C 19 175.114 175.114 175.726 -0.612 25421
1710 1 10 . 1 1 19 19 SER CA C 19 60.335 60.335 60.027 0.308 25421
1711 1 10 . 1 1 19 19 SER CB C 19 63.047 63.047 63.554 -0.507 25421
1712 1 10 . 1 1 19 19 SER H H 19 8.461 8.461 8.782 -0.321 25421
1713 1 10 . 1 1 20 20 GLY N N 20 113.736 113.736 113.563 0.173 25421
1714 1 10 . 1 1 20 20 GLY C C 20 173.468 173.468 174.144 -0.676 25421
1715 1 10 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.920 -0.338 25421
1716 1 10 . 1 1 20 20 GLY H H 20 8.836 8.836 8.637 0.199 25421
1717 1 10 . 1 1 21 21 TYR N N 21 118.820 118.820 121.171 -2.351 25421
1718 1 10 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.858 0.411 25421
1719 1 10 . 1 1 21 21 TYR C C 21 174.011 174.011 174.654 -0.643 25421
1720 1 10 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.325 -1.270 25421
1721 1 10 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.592 2.067 25421
1722 1 10 . 1 1 21 21 TYR H H 21 8.276 8.276 7.887 0.389 25421
1723 1 10 . 1 1 22 22 ALA N N 22 120.868 120.868 124.691 -3.823 25421
1724 1 10 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.760 -0.107 25421
1725 1 10 . 1 1 22 22 ALA C C 22 176.439 176.439 175.269 1.170 25421
1726 1 10 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.010 0.961 25421
1727 1 10 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.220 0.886 25421
1728 1 10 . 1 1 22 22 ALA H H 22 9.357 9.357 8.254 1.103 25421
1729 1 10 . 1 1 23 23 CYS N N 23 122.679 122.679 118.175 4.504 25421
1730 1 10 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.204 -0.639 25421
1731 1 10 . 1 1 23 23 CYS C C 23 174.530 174.530 174.840 -0.310 25421
1732 1 10 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.268 -2.564 25421
1733 1 10 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.448 12.392 25421
1734 1 10 . 1 1 23 23 CYS H H 23 8.917 8.917 8.749 0.168 25421
1735 1 10 . 1 1 24 24 SER N N 24 123.845 123.845 120.432 3.413 25421
1736 1 10 . 1 1 24 24 SER HA H 24 4.455 4.455 4.973 -0.518 25421
1737 1 10 . 1 1 24 24 SER C C 24 175.964 175.964 174.967 0.997 25421
1738 1 10 . 1 1 24 24 SER CA C 24 57.449 57.449 56.960 0.489 25421
1739 1 10 . 1 1 24 24 SER CB C 24 63.616 63.616 64.523 -0.907 25421
1740 1 10 . 1 1 24 24 SER H H 24 8.057 8.057 8.650 -0.593 25421
1741 1 10 . 1 1 25 25 SER N N 25 124.964 124.964 123.792 1.172 25421
1742 1 10 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.258 25421
1743 1 10 . 1 1 25 25 SER C C 25 174.925 174.925 175.556 -0.631 25421
1744 1 10 . 1 1 25 25 SER CA C 25 61.411 61.411 59.863 1.548 25421
1745 1 10 . 1 1 25 25 SER CB C 25 62.650 62.650 63.466 -0.816 25421
1746 1 10 . 1 1 25 25 SER H H 25 9.029 9.029 9.026 0.003 25421
1747 1 10 . 1 1 26 26 ARG N N 26 119.221 119.221 119.988 -0.767 25421
1748 1 10 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.041 0.084 25421
1749 1 10 . 1 1 26 26 ARG C C 26 177.031 177.031 176.770 0.261 25421
1750 1 10 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.467 -0.532 25421
1751 1 10 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.227 0.893 25421
1752 1 10 . 1 1 26 26 ARG H H 26 7.880 7.880 8.175 -0.295 25421
1753 1 10 . 1 1 27 27 ASP N N 27 115.090 115.090 114.735 0.355 25421
1754 1 10 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.332 -0.059 25421
1755 1 10 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.140 1.417 25421
1756 1 10 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.222 -0.267 25421
1757 1 10 . 1 1 27 27 ASP H H 27 7.396 7.396 7.523 -0.127 25421
1758 1 10 . 1 1 28 28 LYS N N 28 114.145 114.145 117.329 -3.184 25421
1759 1 10 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.956 -0.114 25421
1760 1 10 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.365 0.120 25421
1761 1 10 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.114 -2.048 25421
1762 1 10 . 1 1 28 28 LYS H H 28 8.096 8.096 7.898 0.198 25421
1763 1 10 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.259 0.138 25421
1764 1 10 . 1 1 29 29 TRP C C 29 177.187 177.187 174.896 2.291 25421
1765 1 10 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.201 2.503 25421
1766 1 10 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.911 1.368 25421
1767 1 10 . 1 1 30 30 CYS N N 30 119.238 119.238 119.060 0.178 25421
1768 1 10 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.073 -0.177 25421
1769 1 10 . 1 1 30 30 CYS C C 30 174.364 174.364 174.735 -0.371 25421
1770 1 10 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.386 -2.800 25421
1771 1 10 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.596 10.610 25421
1772 1 10 . 1 1 30 30 CYS H H 30 8.447 8.447 8.200 0.247 25421
1773 1 10 . 1 1 31 31 LYS N N 31 124.793 124.793 120.084 4.709 25421
1774 1 10 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.961 0.080 25421
1775 1 10 . 1 1 31 31 LYS C C 31 175.662 175.662 174.826 0.836 25421
1776 1 10 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.583 0.593 25421
1777 1 10 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.977 -0.102 25421
1778 1 10 . 1 1 31 31 LYS H H 31 9.191 9.191 8.785 0.406 25421
1779 1 10 . 1 1 32 32 VAL N N 32 121.483 121.483 121.515 -0.032 25421
1780 1 10 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.891 -0.070 25421
1781 1 10 . 1 1 32 32 VAL C C 32 175.973 175.973 174.486 1.487 25421
1782 1 10 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.474 3.599 25421
1783 1 10 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.882 -1.514 25421
1784 1 10 . 1 1 32 32 VAL H H 32 8.424 8.424 8.516 -0.092 25421
1785 1 10 . 1 1 33 33 LEU N N 33 128.865 128.865 128.519 0.346 25421
1786 1 10 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.377 -0.070 25421
1787 1 10 . 1 1 33 33 LEU C C 33 175.217 175.217 177.016 -1.799 25421
1788 1 10 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.216 0.099 25421
1789 1 10 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.929 0.660 25421
1790 1 10 . 1 1 33 33 LEU H H 33 8.045 8.045 8.260 -0.215 25421
1791 1 11 . 1 1 2 2 GLU N N 2 120.667 120.667 120.325 0.342 25421
1792 1 11 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.580 -0.154 25421
1793 1 11 . 1 1 2 2 GLU C C 2 175.960 175.960 176.274 -0.314 25421
1794 1 11 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.268 -0.195 25421
1795 1 11 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.595 -0.155 25421
1796 1 11 . 1 1 2 2 GLU H H 2 8.716 8.716 8.561 0.155 25421
1797 1 11 . 1 1 3 3 CYS N N 3 119.340 119.340 118.481 0.859 25421
1798 1 11 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.730 0.092 25421
1799 1 11 . 1 1 3 3 CYS C C 3 173.426 173.426 174.589 -1.163 25421
1800 1 11 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.673 -1.973 25421
1801 1 11 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.953 12.663 25421
1802 1 11 . 1 1 3 3 CYS H H 3 8.457 8.457 8.483 -0.026 25421
1803 1 11 . 1 1 4 4 LYS N N 4 121.064 121.064 122.017 -0.953 25421
1804 1 11 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.284 0.042 25421
1805 1 11 . 1 1 4 4 LYS C C 4 174.620 174.620 177.016 -2.396 25421
1806 1 11 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.880 -1.277 25421
1807 1 11 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.071 1.239 25421
1808 1 11 . 1 1 4 4 LYS H H 4 8.763 8.763 8.065 0.698 25421
1809 1 11 . 1 1 5 5 GLY N N 5 109.502 109.502 107.378 2.124 25421
1810 1 11 . 1 1 5 5 GLY C C 5 171.833 171.833 173.877 -2.044 25421
1811 1 11 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.410 -2.768 25421
1812 1 11 . 1 1 5 5 GLY H H 5 7.983 7.983 8.185 -0.202 25421
1813 1 11 . 1 1 6 6 PHE N N 6 117.331 117.331 118.982 -1.651 25421
1814 1 11 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.913 -1.287 25421
1815 1 11 . 1 1 6 6 PHE C C 6 176.435 176.435 175.527 0.908 25421
1816 1 11 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.313 -0.400 25421
1817 1 11 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.138 -2.055 25421
1818 1 11 . 1 1 6 6 PHE H H 6 7.581 7.581 8.257 -0.676 25421
1819 1 11 . 1 1 7 7 TRP N N 7 123.869 123.869 120.132 3.737 25421
1820 1 11 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.305 -0.717 25421
1821 1 11 . 1 1 7 7 TRP C C 7 175.204 175.204 175.785 -0.581 25421
1822 1 11 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.249 1.271 25421
1823 1 11 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.055 -1.768 25421
1824 1 11 . 1 1 7 7 TRP H H 7 8.997 8.997 8.016 0.981 25421
1825 1 11 . 1 1 8 8 LYS N N 8 118.614 118.614 119.192 -0.578 25421
1826 1 11 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.247 0.263 25421
1827 1 11 . 1 1 8 8 LYS C C 8 176.595 176.595 175.532 1.063 25421
1828 1 11 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.730 -2.746 25421
1829 1 11 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.733 0.062 25421
1830 1 11 . 1 1 8 8 LYS H H 8 7.719 7.719 7.771 -0.052 25421
1831 1 11 . 1 1 9 9 SER N N 9 116.747 116.747 113.380 3.367 25421
1832 1 11 . 1 1 9 9 SER HA H 9 4.808 4.808 4.827 -0.019 25421
1833 1 11 . 1 1 9 9 SER C C 9 172.976 172.976 173.309 -0.333 25421
1834 1 11 . 1 1 9 9 SER CA C 9 59.175 59.175 57.111 2.064 25421
1835 1 11 . 1 1 9 9 SER CB C 9 63.827 63.827 64.127 -0.300 25421
1836 1 11 . 1 1 9 9 SER H H 9 8.430 8.430 8.284 0.146 25421
1837 1 11 . 1 1 10 10 CYS N N 10 118.508 118.508 119.942 -1.434 25421
1838 1 11 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.845 0.133 25421
1839 1 11 . 1 1 10 10 CYS C C 10 172.556 172.556 173.656 -1.100 25421
1840 1 11 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.025 -2.747 25421
1841 1 11 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.099 15.661 25421
1842 1 11 . 1 1 10 10 CYS H H 10 8.142 8.142 7.765 0.377 25421
1843 1 11 . 1 1 11 11 VAL N N 11 122.963 122.963 115.412 7.551 25421
1844 1 11 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.619 -0.284 25421
1845 1 11 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.713 0.611 25421
1846 1 11 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.817 0.106 25421
1847 1 11 . 1 1 11 11 VAL H H 11 8.835 8.835 8.381 0.454 25421
1848 1 11 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.336 -0.393 25421
1849 1 11 . 1 1 12 12 PRO C C 12 176.806 176.806 177.780 -0.974 25421
1850 1 11 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.808 0.521 25421
1851 1 11 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.361 0.428 25421
1852 1 11 . 1 1 13 13 GLY N N 13 111.847 111.847 113.864 -2.017 25421
1853 1 11 . 1 1 13 13 GLY C C 13 174.856 174.856 175.160 -0.304 25421
1854 1 11 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.242 0.054 25421
1855 1 11 . 1 1 13 13 GLY H H 13 8.826 8.826 8.695 0.131 25421
1856 1 11 . 1 1 14 14 LYS N N 14 117.957 117.957 121.037 -3.080 25421
1857 1 11 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.320 0.163 25421
1858 1 11 . 1 1 14 14 LYS C C 14 175.718 175.718 176.672 -0.954 25421
1859 1 11 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.837 -1.424 25421
1860 1 11 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.540 -0.687 25421
1861 1 11 . 1 1 14 14 LYS H H 14 7.590 7.590 7.623 -0.033 25421
1862 1 11 . 1 1 15 15 ASN N N 15 118.663 118.663 115.533 3.130 25421
1863 1 11 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.481 0.196 25421
1864 1 11 . 1 1 15 15 ASN C C 15 175.372 175.372 175.077 0.295 25421
1865 1 11 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.831 -0.209 25421
1866 1 11 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.286 1.085 25421
1867 1 11 . 1 1 15 15 ASN H H 15 8.473 8.473 8.057 0.416 25421
1868 1 11 . 1 1 16 16 GLU N N 16 115.492 115.492 115.477 0.015 25421
1869 1 11 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.109 0.195 25421
1870 1 11 . 1 1 16 16 GLU C C 16 178.083 178.083 177.405 0.678 25421
1871 1 11 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.221 -0.799 25421
1872 1 11 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.029 2.497 25421
1873 1 11 . 1 1 16 16 GLU H H 16 8.848 8.848 8.675 0.173 25421
1874 1 11 . 1 1 17 17 CYS N N 17 117.244 117.244 116.948 0.296 25421
1875 1 11 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421
1876 1 11 . 1 1 17 17 CYS C C 17 175.716 175.716 176.217 -0.501 25421
1877 1 11 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.406 -4.876 25421
1878 1 11 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.189 12.885 25421
1879 1 11 . 1 1 17 17 CYS H H 17 8.278 8.278 8.085 0.193 25421
1880 1 11 . 1 1 18 18 CYS N N 18 121.456 121.456 121.375 0.081 25421
1881 1 11 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.467 0.099 25421
1882 1 11 . 1 1 18 18 CYS C C 18 172.720 172.720 175.380 -2.660 25421
1883 1 11 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.936 -4.600 25421
1884 1 11 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.504 12.639 25421
1885 1 11 . 1 1 18 18 CYS H H 18 9.308 9.308 8.623 0.685 25421
1886 1 11 . 1 1 19 19 SER N N 19 114.196 114.196 117.046 -2.850 25421
1887 1 11 . 1 1 19 19 SER HA H 19 4.273 4.273 4.353 -0.080 25421
1888 1 11 . 1 1 19 19 SER C C 19 175.114 175.114 175.748 -0.634 25421
1889 1 11 . 1 1 19 19 SER CA C 19 60.335 60.335 59.872 0.463 25421
1890 1 11 . 1 1 19 19 SER CB C 19 63.047 63.047 63.318 -0.271 25421
1891 1 11 . 1 1 19 19 SER H H 19 8.461 8.461 8.772 -0.311 25421
1892 1 11 . 1 1 20 20 GLY N N 20 113.736 113.736 113.745 -0.009 25421
1893 1 11 . 1 1 20 20 GLY C C 20 173.468 173.468 173.305 0.163 25421
1894 1 11 . 1 1 20 20 GLY CA C 20 44.582 44.582 45.056 -0.474 25421
1895 1 11 . 1 1 20 20 GLY H H 20 8.836 8.836 8.727 0.109 25421
1896 1 11 . 1 1 21 21 TYR N N 21 118.820 118.820 119.087 -0.267 25421
1897 1 11 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.101 0.168 25421
1898 1 11 . 1 1 21 21 TYR C C 21 174.011 174.011 174.316 -0.305 25421
1899 1 11 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.245 -0.190 25421
1900 1 11 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.252 0.407 25421
1901 1 11 . 1 1 21 21 TYR H H 21 8.276 8.276 7.478 0.798 25421
1902 1 11 . 1 1 22 22 ALA N N 22 120.868 120.868 124.247 -3.379 25421
1903 1 11 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.765 -0.112 25421
1904 1 11 . 1 1 22 22 ALA C C 22 176.439 176.439 175.219 1.220 25421
1905 1 11 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.028 0.943 25421
1906 1 11 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.225 0.881 25421
1907 1 11 . 1 1 22 22 ALA H H 22 9.357 9.357 8.421 0.936 25421
1908 1 11 . 1 1 23 23 CYS N N 23 122.679 122.679 118.358 4.321 25421
1909 1 11 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.168 -0.603 25421
1910 1 11 . 1 1 23 23 CYS C C 23 174.530 174.530 174.836 -0.306 25421
1911 1 11 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.225 -2.521 25421
1912 1 11 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.398 12.441 25421
1913 1 11 . 1 1 23 23 CYS H H 23 8.917 8.917 8.699 0.218 25421
1914 1 11 . 1 1 24 24 SER N N 24 123.845 123.845 120.655 3.190 25421
1915 1 11 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421
1916 1 11 . 1 1 24 24 SER C C 24 175.964 175.964 175.008 0.956 25421
1917 1 11 . 1 1 24 24 SER CA C 24 57.449 57.449 56.966 0.483 25421
1918 1 11 . 1 1 24 24 SER CB C 24 63.616 63.616 64.377 -0.761 25421
1919 1 11 . 1 1 24 24 SER H H 24 8.057 8.057 8.662 -0.605 25421
1920 1 11 . 1 1 25 25 SER N N 25 124.964 124.964 123.835 1.129 25421
1921 1 11 . 1 1 25 25 SER HA H 25 3.977 3.977 4.218 -0.241 25421
1922 1 11 . 1 1 25 25 SER C C 25 174.925 174.925 175.375 -0.450 25421
1923 1 11 . 1 1 25 25 SER CA C 25 61.411 61.411 59.756 1.655 25421
1924 1 11 . 1 1 25 25 SER CB C 25 62.650 62.650 63.453 -0.803 25421
1925 1 11 . 1 1 25 25 SER H H 25 9.029 9.029 8.928 0.101 25421
1926 1 11 . 1 1 26 26 ARG N N 26 119.221 119.221 120.127 -0.906 25421
1927 1 11 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.024 0.101 25421
1928 1 11 . 1 1 26 26 ARG C C 26 177.031 177.031 176.647 0.384 25421
1929 1 11 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.410 -0.475 25421
1930 1 11 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.097 1.023 25421
1931 1 11 . 1 1 26 26 ARG H H 26 7.880 7.880 8.107 -0.227 25421
1932 1 11 . 1 1 27 27 ASP N N 27 115.090 115.090 114.476 0.614 25421
1933 1 11 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.269 0.004 25421
1934 1 11 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.205 1.352 25421
1935 1 11 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.054 -0.099 25421
1936 1 11 . 1 1 27 27 ASP H H 27 7.396 7.396 7.542 -0.146 25421
1937 1 11 . 1 1 28 28 LYS N N 28 114.145 114.145 118.032 -3.887 25421
1938 1 11 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.989 -0.147 25421
1939 1 11 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.401 0.085 25421
1940 1 11 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.887 -1.821 25421
1941 1 11 . 1 1 28 28 LYS H H 28 8.096 8.096 8.034 0.062 25421
1942 1 11 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.277 0.120 25421
1943 1 11 . 1 1 29 29 TRP C C 29 177.187 177.187 174.944 2.243 25421
1944 1 11 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.202 2.502 25421
1945 1 11 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.843 1.436 25421
1946 1 11 . 1 1 30 30 CYS N N 30 119.238 119.238 118.988 0.250 25421
1947 1 11 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.199 -0.303 25421
1948 1 11 . 1 1 30 30 CYS C C 30 174.364 174.364 174.762 -0.398 25421
1949 1 11 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.175 -2.589 25421
1950 1 11 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.756 10.450 25421
1951 1 11 . 1 1 30 30 CYS H H 30 8.447 8.447 8.054 0.393 25421
1952 1 11 . 1 1 31 31 LYS N N 31 124.793 124.793 120.330 4.463 25421
1953 1 11 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421
1954 1 11 . 1 1 31 31 LYS C C 31 175.662 175.662 174.863 0.799 25421
1955 1 11 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.332 0.844 25421
1956 1 11 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.025 -0.150 25421
1957 1 11 . 1 1 31 31 LYS H H 31 9.191 9.191 8.830 0.361 25421
1958 1 11 . 1 1 32 32 VAL N N 32 121.483 121.483 122.708 -1.225 25421
1959 1 11 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.953 -0.132 25421
1960 1 11 . 1 1 32 32 VAL C C 32 175.973 175.973 174.514 1.459 25421
1961 1 11 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.453 4.620 25421
1962 1 11 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.640 -1.272 25421
1963 1 11 . 1 1 32 32 VAL H H 32 8.424 8.424 8.650 -0.226 25421
1964 1 11 . 1 1 33 33 LEU N N 33 128.865 128.865 128.911 -0.046 25421
1965 1 11 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.174 0.133 25421
1966 1 11 . 1 1 33 33 LEU C C 33 175.217 175.217 176.610 -1.393 25421
1967 1 11 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.362 -0.047 25421
1968 1 11 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.021 1.568 25421
1969 1 11 . 1 1 33 33 LEU H H 33 8.045 8.045 8.079 -0.034 25421
1970 1 12 . 1 1 2 2 GLU N N 2 120.667 120.667 119.691 0.976 25421
1971 1 12 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.510 -0.084 25421
1972 1 12 . 1 1 2 2 GLU C C 2 175.960 175.960 175.044 0.916 25421
1973 1 12 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.049 0.024 25421
1974 1 12 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.613 -0.174 25421
1975 1 12 . 1 1 2 2 GLU H H 2 8.716 8.716 8.161 0.555 25421
1976 1 12 . 1 1 3 3 CYS N N 3 119.340 119.340 118.568 0.772 25421
1977 1 12 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.820 0.002 25421
1978 1 12 . 1 1 3 3 CYS C C 3 173.426 173.426 174.512 -1.086 25421
1979 1 12 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.986 -2.286 25421
1980 1 12 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.845 12.771 25421
1981 1 12 . 1 1 3 3 CYS H H 3 8.457 8.457 8.343 0.114 25421
1982 1 12 . 1 1 4 4 LYS N N 4 121.064 121.064 122.647 -1.583 25421
1983 1 12 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.272 0.054 25421
1984 1 12 . 1 1 4 4 LYS C C 4 174.620 174.620 176.819 -2.199 25421
1985 1 12 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.748 -1.145 25421
1986 1 12 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.959 1.351 25421
1987 1 12 . 1 1 4 4 LYS H H 4 8.763 8.763 8.452 0.311 25421
1988 1 12 . 1 1 5 5 GLY N N 5 109.502 109.502 107.228 2.274 25421
1989 1 12 . 1 1 5 5 GLY C C 5 171.833 171.833 173.158 -1.325 25421
1990 1 12 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.375 -2.733 25421
1991 1 12 . 1 1 5 5 GLY H H 5 7.983 7.983 8.179 -0.196 25421
1992 1 12 . 1 1 6 6 PHE N N 6 117.331 117.331 118.091 -0.760 25421
1993 1 12 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.817 -1.191 25421
1994 1 12 . 1 1 6 6 PHE C C 6 176.435 176.435 174.914 1.521 25421
1995 1 12 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.418 -0.505 25421
1996 1 12 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.810 -1.727 25421
1997 1 12 . 1 1 6 6 PHE H H 6 7.581 7.581 8.124 -0.543 25421
1998 1 12 . 1 1 7 7 TRP N N 7 123.869 123.869 118.839 5.030 25421
1999 1 12 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.419 -0.831 25421
2000 1 12 . 1 1 7 7 TRP C C 7 175.204 175.204 176.086 -0.882 25421
2001 1 12 . 1 1 7 7 TRP CA C 7 58.520 58.520 58.172 0.347 25421
2002 1 12 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.537 -1.250 25421
2003 1 12 . 1 1 7 7 TRP H H 7 8.997 8.997 8.130 0.867 25421
2004 1 12 . 1 1 8 8 LYS N N 8 118.614 118.614 118.844 -0.230 25421
2005 1 12 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.359 0.151 25421
2006 1 12 . 1 1 8 8 LYS C C 8 176.595 176.595 175.852 0.743 25421
2007 1 12 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.419 -2.435 25421
2008 1 12 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.676 0.120 25421
2009 1 12 . 1 1 8 8 LYS H H 8 7.719 7.719 7.778 -0.059 25421
2010 1 12 . 1 1 9 9 SER N N 9 116.747 116.747 112.557 4.190 25421
2011 1 12 . 1 1 9 9 SER HA H 9 4.808 4.808 4.943 -0.135 25421
2012 1 12 . 1 1 9 9 SER C C 9 172.976 172.976 173.602 -0.626 25421
2013 1 12 . 1 1 9 9 SER CA C 9 59.175 59.175 57.028 2.147 25421
2014 1 12 . 1 1 9 9 SER CB C 9 63.827 63.827 64.252 -0.425 25421
2015 1 12 . 1 1 9 9 SER H H 9 8.430 8.430 8.319 0.111 25421
2016 1 12 . 1 1 10 10 CYS N N 10 118.508 118.508 120.382 -1.874 25421
2017 1 12 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.050 -0.072 25421
2018 1 12 . 1 1 10 10 CYS C C 10 172.556 172.556 174.341 -1.785 25421
2019 1 12 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.603 -3.325 25421
2020 1 12 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.836 15.924 25421
2021 1 12 . 1 1 10 10 CYS H H 10 8.142 8.142 7.980 0.162 25421
2022 1 12 . 1 1 11 11 VAL N N 11 122.963 122.963 117.308 5.655 25421
2023 1 12 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.739 -0.404 25421
2024 1 12 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.850 0.474 25421
2025 1 12 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.182 0.741 25421
2026 1 12 . 1 1 11 11 VAL H H 11 8.835 8.835 8.513 0.322 25421
2027 1 12 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.403 -0.460 25421
2028 1 12 . 1 1 12 12 PRO C C 12 176.806 176.806 177.789 -0.983 25421
2029 1 12 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.940 0.389 25421
2030 1 12 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.452 0.337 25421
2031 1 12 . 1 1 13 13 GLY N N 13 111.847 111.847 112.165 -0.318 25421
2032 1 12 . 1 1 13 13 GLY C C 13 174.856 174.856 174.941 -0.085 25421
2033 1 12 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.126 0.170 25421
2034 1 12 . 1 1 13 13 GLY H H 13 8.826 8.826 8.576 0.249 25421
2035 1 12 . 1 1 14 14 LYS N N 14 117.957 117.957 120.998 -3.041 25421
2036 1 12 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.278 0.205 25421
2037 1 12 . 1 1 14 14 LYS C C 14 175.718 175.718 176.816 -1.098 25421
2038 1 12 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.853 -1.440 25421
2039 1 12 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.603 -0.750 25421
2040 1 12 . 1 1 14 14 LYS H H 14 7.590 7.590 7.614 -0.024 25421
2041 1 12 . 1 1 15 15 ASN N N 15 118.663 118.663 115.650 3.013 25421
2042 1 12 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.472 0.205 25421
2043 1 12 . 1 1 15 15 ASN C C 15 175.372 175.372 175.067 0.305 25421
2044 1 12 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.561 0.061 25421
2045 1 12 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.790 0.581 25421
2046 1 12 . 1 1 15 15 ASN H H 15 8.473 8.473 8.015 0.458 25421
2047 1 12 . 1 1 16 16 GLU N N 16 115.492 115.492 115.655 -0.163 25421
2048 1 12 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.115 0.189 25421
2049 1 12 . 1 1 16 16 GLU C C 16 178.083 178.083 177.353 0.730 25421
2050 1 12 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.144 -0.722 25421
2051 1 12 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.091 2.435 25421
2052 1 12 . 1 1 16 16 GLU H H 16 8.848 8.848 8.598 0.250 25421
2053 1 12 . 1 1 17 17 CYS N N 17 117.244 117.244 117.106 0.138 25421
2054 1 12 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.129 1.047 25421
2055 1 12 . 1 1 17 17 CYS C C 17 175.716 175.716 176.165 -0.449 25421
2056 1 12 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.270 -4.740 25421
2057 1 12 . 1 1 17 17 CYS CB C 17 40.074 40.074 26.943 13.131 25421
2058 1 12 . 1 1 17 17 CYS H H 17 8.278 8.278 8.159 0.119 25421
2059 1 12 . 1 1 18 18 CYS N N 18 121.456 121.456 121.339 0.117 25421
2060 1 12 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.379 0.187 25421
2061 1 12 . 1 1 18 18 CYS C C 18 172.720 172.720 175.482 -2.762 25421
2062 1 12 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.297 -4.961 25421
2063 1 12 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.098 13.045 25421
2064 1 12 . 1 1 18 18 CYS H H 18 9.308 9.308 8.338 0.970 25421
2065 1 12 . 1 1 19 19 SER N N 19 114.196 114.196 117.346 -3.150 25421
2066 1 12 . 1 1 19 19 SER HA H 19 4.273 4.273 4.299 -0.026 25421
2067 1 12 . 1 1 19 19 SER C C 19 175.114 175.114 175.626 -0.512 25421
2068 1 12 . 1 1 19 19 SER CA C 19 60.335 60.335 59.786 0.549 25421
2069 1 12 . 1 1 19 19 SER CB C 19 63.047 63.047 63.064 -0.017 25421
2070 1 12 . 1 1 19 19 SER H H 19 8.461 8.461 8.768 -0.307 25421
2071 1 12 . 1 1 20 20 GLY N N 20 113.736 113.736 114.334 -0.598 25421
2072 1 12 . 1 1 20 20 GLY C C 20 173.468 173.468 173.204 0.264 25421
2073 1 12 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.914 -0.332 25421
2074 1 12 . 1 1 20 20 GLY H H 20 8.836 8.836 8.689 0.147 25421
2075 1 12 . 1 1 21 21 TYR N N 21 118.820 118.820 119.294 -0.474 25421
2076 1 12 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.073 0.196 25421
2077 1 12 . 1 1 21 21 TYR C C 21 174.011 174.011 174.347 -0.336 25421
2078 1 12 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.221 -0.167 25421
2079 1 12 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.099 0.560 25421
2080 1 12 . 1 1 21 21 TYR H H 21 8.276 8.276 7.514 0.762 25421
2081 1 12 . 1 1 22 22 ALA N N 22 120.868 120.868 123.744 -2.876 25421
2082 1 12 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.721 -0.068 25421
2083 1 12 . 1 1 22 22 ALA C C 22 176.439 176.439 175.035 1.404 25421
2084 1 12 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.333 0.638 25421
2085 1 12 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.683 1.423 25421
2086 1 12 . 1 1 22 22 ALA H H 22 9.357 9.357 8.467 0.890 25421
2087 1 12 . 1 1 23 23 CYS N N 23 122.679 122.679 118.245 4.434 25421
2088 1 12 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.070 -0.505 25421
2089 1 12 . 1 1 23 23 CYS C C 23 174.530 174.530 174.826 -0.296 25421
2090 1 12 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.209 -2.505 25421
2091 1 12 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.403 12.437 25421
2092 1 12 . 1 1 23 23 CYS H H 23 8.917 8.917 8.417 0.500 25421
2093 1 12 . 1 1 24 24 SER N N 24 123.845 123.845 120.715 3.130 25421
2094 1 12 . 1 1 24 24 SER HA H 24 4.455 4.455 4.954 -0.499 25421
2095 1 12 . 1 1 24 24 SER C C 24 175.964 175.964 174.939 1.025 25421
2096 1 12 . 1 1 24 24 SER CA C 24 57.449 57.449 57.087 0.362 25421
2097 1 12 . 1 1 24 24 SER CB C 24 63.616 63.616 64.429 -0.813 25421
2098 1 12 . 1 1 24 24 SER H H 24 8.057 8.057 8.589 -0.532 25421
2099 1 12 . 1 1 25 25 SER N N 25 124.964 124.964 123.489 1.475 25421
2100 1 12 . 1 1 25 25 SER HA H 25 3.977 3.977 4.211 -0.234 25421
2101 1 12 . 1 1 25 25 SER C C 25 174.925 174.925 175.493 -0.568 25421
2102 1 12 . 1 1 25 25 SER CA C 25 61.411 61.411 59.895 1.516 25421
2103 1 12 . 1 1 25 25 SER CB C 25 62.650 62.650 63.491 -0.841 25421
2104 1 12 . 1 1 25 25 SER H H 25 9.029 9.029 8.915 0.114 25421
2105 1 12 . 1 1 26 26 ARG N N 26 119.221 119.221 119.917 -0.696 25421
2106 1 12 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.040 0.085 25421
2107 1 12 . 1 1 26 26 ARG C C 26 177.031 177.031 176.699 0.332 25421
2108 1 12 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.297 -0.361 25421
2109 1 12 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.999 1.121 25421
2110 1 12 . 1 1 26 26 ARG H H 26 7.880 7.880 8.119 -0.239 25421
2111 1 12 . 1 1 27 27 ASP N N 27 115.090 115.090 115.688 -0.598 25421
2112 1 12 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.305 -0.032 25421
2113 1 12 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.313 1.244 25421
2114 1 12 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.627 0.328 25421
2115 1 12 . 1 1 27 27 ASP H H 27 7.396 7.396 7.509 -0.113 25421
2116 1 12 . 1 1 28 28 LYS N N 28 114.145 114.145 116.746 -2.601 25421
2117 1 12 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.908 -0.066 25421
2118 1 12 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.328 0.158 25421
2119 1 12 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.120 -2.054 25421
2120 1 12 . 1 1 28 28 LYS H H 28 8.096 8.096 7.900 0.196 25421
2121 1 12 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.366 0.031 25421
2122 1 12 . 1 1 29 29 TRP C C 29 177.187 177.187 174.903 2.284 25421
2123 1 12 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.181 2.523 25421
2124 1 12 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.985 1.294 25421
2125 1 12 . 1 1 30 30 CYS N N 30 119.238 119.238 118.996 0.242 25421
2126 1 12 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.041 -0.145 25421
2127 1 12 . 1 1 30 30 CYS C C 30 174.364 174.364 174.574 -0.210 25421
2128 1 12 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.035 -2.449 25421
2129 1 12 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.681 10.525 25421
2130 1 12 . 1 1 30 30 CYS H H 30 8.447 8.447 8.052 0.395 25421
2131 1 12 . 1 1 31 31 LYS N N 31 124.793 124.793 120.231 4.562 25421
2132 1 12 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.737 0.304 25421
2133 1 12 . 1 1 31 31 LYS C C 31 175.662 175.662 174.780 0.882 25421
2134 1 12 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.150 1.026 25421
2135 1 12 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.045 -0.170 25421
2136 1 12 . 1 1 31 31 LYS H H 31 9.191 9.191 8.738 0.453 25421
2137 1 12 . 1 1 32 32 VAL N N 32 121.483 121.483 122.578 -1.095 25421
2138 1 12 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.930 -0.109 25421
2139 1 12 . 1 1 32 32 VAL C C 32 175.973 175.973 174.450 1.523 25421
2140 1 12 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.625 4.448 25421
2141 1 12 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.636 -1.268 25421
2142 1 12 . 1 1 32 32 VAL H H 32 8.424 8.424 8.632 -0.208 25421
2143 1 12 . 1 1 33 33 LEU N N 33 128.865 128.865 129.068 -0.203 25421
2144 1 12 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.227 0.080 25421
2145 1 12 . 1 1 33 33 LEU C C 33 175.217 175.217 176.651 -1.434 25421
2146 1 12 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.074 0.241 25421
2147 1 12 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.028 1.561 25421
2148 1 12 . 1 1 33 33 LEU H H 33 8.045 8.045 8.098 -0.053 25421
2149 1 13 . 1 1 2 2 GLU N N 2 120.667 120.667 121.217 -0.550 25421
2150 1 13 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.623 -0.197 25421
2151 1 13 . 1 1 2 2 GLU C C 2 175.960 175.960 176.053 -0.093 25421
2152 1 13 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.812 0.261 25421
2153 1 13 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.822 -0.383 25421
2154 1 13 . 1 1 2 2 GLU H H 2 8.716 8.716 8.309 0.407 25421
2155 1 13 . 1 1 3 3 CYS N N 3 119.340 119.340 119.809 -0.469 25421
2156 1 13 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.686 0.136 25421
2157 1 13 . 1 1 3 3 CYS C C 3 173.426 173.426 174.373 -0.947 25421
2158 1 13 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.717 -2.017 25421
2159 1 13 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.784 12.832 25421
2160 1 13 . 1 1 3 3 CYS H H 3 8.457 8.457 8.400 0.057 25421
2161 1 13 . 1 1 4 4 LYS N N 4 121.064 121.064 122.854 -1.790 25421
2162 1 13 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.319 0.007 25421
2163 1 13 . 1 1 4 4 LYS C C 4 174.620 174.620 176.937 -2.317 25421
2164 1 13 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.711 -1.108 25421
2165 1 13 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.086 1.224 25421
2166 1 13 . 1 1 4 4 LYS H H 4 8.763 8.763 8.337 0.426 25421
2167 1 13 . 1 1 5 5 GLY N N 5 109.502 109.502 107.468 2.034 25421
2168 1 13 . 1 1 5 5 GLY C C 5 171.833 171.833 173.906 -2.073 25421
2169 1 13 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.496 -2.854 25421
2170 1 13 . 1 1 5 5 GLY H H 5 7.983 7.983 8.217 -0.234 25421
2171 1 13 . 1 1 6 6 PHE N N 6 117.331 117.331 118.036 -0.705 25421
2172 1 13 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.877 -1.251 25421
2173 1 13 . 1 1 6 6 PHE C C 6 176.435 176.435 174.878 1.557 25421
2174 1 13 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.110 -0.197 25421
2175 1 13 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.849 -1.766 25421
2176 1 13 . 1 1 6 6 PHE H H 6 7.581 7.581 8.234 -0.653 25421
2177 1 13 . 1 1 7 7 TRP N N 7 123.869 123.869 119.027 4.842 25421
2178 1 13 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.426 -0.838 25421
2179 1 13 . 1 1 7 7 TRP C C 7 175.204 175.204 176.095 -0.891 25421
2180 1 13 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.596 0.924 25421
2181 1 13 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.776 -1.489 25421
2182 1 13 . 1 1 7 7 TRP H H 7 8.997 8.997 8.016 0.981 25421
2183 1 13 . 1 1 8 8 LYS N N 8 118.614 118.614 119.361 -0.747 25421
2184 1 13 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.312 0.198 25421
2185 1 13 . 1 1 8 8 LYS C C 8 176.595 176.595 175.994 0.601 25421
2186 1 13 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.809 -2.825 25421
2187 1 13 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.735 0.061 25421
2188 1 13 . 1 1 8 8 LYS H H 8 7.719 7.719 7.753 -0.034 25421
2189 1 13 . 1 1 9 9 SER N N 9 116.747 116.747 114.766 1.981 25421
2190 1 13 . 1 1 9 9 SER HA H 9 4.808 4.808 4.943 -0.135 25421
2191 1 13 . 1 1 9 9 SER C C 9 172.976 172.976 173.378 -0.402 25421
2192 1 13 . 1 1 9 9 SER CA C 9 59.175 59.175 57.393 1.782 25421
2193 1 13 . 1 1 9 9 SER CB C 9 63.827 63.827 64.020 -0.193 25421
2194 1 13 . 1 1 9 9 SER H H 9 8.430 8.430 8.345 0.085 25421
2195 1 13 . 1 1 10 10 CYS N N 10 118.508 118.508 121.407 -2.899 25421
2196 1 13 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.077 -0.099 25421
2197 1 13 . 1 1 10 10 CYS C C 10 172.556 172.556 172.960 -0.404 25421
2198 1 13 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.378 -3.100 25421
2199 1 13 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.600 16.160 25421
2200 1 13 . 1 1 10 10 CYS H H 10 8.142 8.142 8.011 0.131 25421
2201 1 13 . 1 1 11 11 VAL N N 11 122.963 122.963 114.657 8.306 25421
2202 1 13 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.578 -0.243 25421
2203 1 13 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.127 1.196 25421
2204 1 13 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.074 -0.151 25421
2205 1 13 . 1 1 11 11 VAL H H 11 8.835 8.835 7.986 0.849 25421
2206 1 13 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.365 -0.422 25421
2207 1 13 . 1 1 12 12 PRO C C 12 176.806 176.806 177.927 -1.121 25421
2208 1 13 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.639 0.690 25421
2209 1 13 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.526 0.263 25421
2210 1 13 . 1 1 13 13 GLY N N 13 111.847 111.847 113.641 -1.794 25421
2211 1 13 . 1 1 13 13 GLY C C 13 174.856 174.856 175.153 -0.297 25421
2212 1 13 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.332 -0.036 25421
2213 1 13 . 1 1 13 13 GLY H H 13 8.826 8.826 8.723 0.103 25421
2214 1 13 . 1 1 14 14 LYS N N 14 117.957 117.957 121.019 -3.062 25421
2215 1 13 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.250 0.233 25421
2216 1 13 . 1 1 14 14 LYS C C 14 175.718 175.718 176.871 -1.153 25421
2217 1 13 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.903 -1.490 25421
2218 1 13 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.439 -0.586 25421
2219 1 13 . 1 1 14 14 LYS H H 14 7.590 7.590 7.497 0.093 25421
2220 1 13 . 1 1 15 15 ASN N N 15 118.663 118.663 115.432 3.231 25421
2221 1 13 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.480 0.197 25421
2222 1 13 . 1 1 15 15 ASN C C 15 175.372 175.372 175.076 0.296 25421
2223 1 13 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.736 -0.114 25421
2224 1 13 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.536 0.835 25421
2225 1 13 . 1 1 15 15 ASN H H 15 8.473 8.473 8.065 0.408 25421
2226 1 13 . 1 1 16 16 GLU N N 16 115.492 115.492 115.890 -0.398 25421
2227 1 13 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.208 0.096 25421
2228 1 13 . 1 1 16 16 GLU C C 16 178.083 178.083 177.483 0.600 25421
2229 1 13 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.560 -0.138 25421
2230 1 13 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.998 2.528 25421
2231 1 13 . 1 1 16 16 GLU H H 16 8.848 8.848 8.778 0.070 25421
2232 1 13 . 1 1 17 17 CYS N N 17 117.244 117.244 117.731 -0.487 25421
2233 1 13 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.171 1.005 25421
2234 1 13 . 1 1 17 17 CYS C C 17 175.716 175.716 176.074 -0.358 25421
2235 1 13 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.484 -4.954 25421
2236 1 13 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.135 12.939 25421
2237 1 13 . 1 1 17 17 CYS H H 17 8.278 8.278 8.195 0.083 25421
2238 1 13 . 1 1 18 18 CYS N N 18 121.456 121.456 121.115 0.341 25421
2239 1 13 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.454 0.112 25421
2240 1 13 . 1 1 18 18 CYS C C 18 172.720 172.720 175.394 -2.674 25421
2241 1 13 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.899 -4.563 25421
2242 1 13 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.417 12.726 25421
2243 1 13 . 1 1 18 18 CYS H H 18 9.308 9.308 8.485 0.823 25421
2244 1 13 . 1 1 19 19 SER N N 19 114.196 114.196 117.277 -3.081 25421
2245 1 13 . 1 1 19 19 SER HA H 19 4.273 4.273 4.286 -0.013 25421
2246 1 13 . 1 1 19 19 SER C C 19 175.114 175.114 175.762 -0.648 25421
2247 1 13 . 1 1 19 19 SER CA C 19 60.335 60.335 60.004 0.331 25421
2248 1 13 . 1 1 19 19 SER CB C 19 63.047 63.047 63.240 -0.193 25421
2249 1 13 . 1 1 19 19 SER H H 19 8.461 8.461 8.784 -0.323 25421
2250 1 13 . 1 1 20 20 GLY N N 20 113.736 113.736 113.711 0.025 25421
2251 1 13 . 1 1 20 20 GLY C C 20 173.468 173.468 173.120 0.348 25421
2252 1 13 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.906 -0.324 25421
2253 1 13 . 1 1 20 20 GLY H H 20 8.836 8.836 8.627 0.209 25421
2254 1 13 . 1 1 21 21 TYR N N 21 118.820 118.820 119.099 -0.279 25421
2255 1 13 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.098 0.171 25421
2256 1 13 . 1 1 21 21 TYR C C 21 174.011 174.011 174.224 -0.213 25421
2257 1 13 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.138 -0.083 25421
2258 1 13 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.273 0.386 25421
2259 1 13 . 1 1 21 21 TYR H H 21 8.276 8.276 7.541 0.735 25421
2260 1 13 . 1 1 22 22 ALA N N 22 120.868 120.868 124.229 -3.361 25421
2261 1 13 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.760 -0.107 25421
2262 1 13 . 1 1 22 22 ALA C C 22 176.439 176.439 175.234 1.205 25421
2263 1 13 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.017 0.954 25421
2264 1 13 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.219 0.887 25421
2265 1 13 . 1 1 22 22 ALA H H 22 9.357 9.357 8.322 1.035 25421
2266 1 13 . 1 1 23 23 CYS N N 23 122.679 122.679 118.270 4.409 25421
2267 1 13 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.205 -0.640 25421
2268 1 13 . 1 1 23 23 CYS C C 23 174.530 174.530 174.926 -0.396 25421
2269 1 13 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.194 -2.490 25421
2270 1 13 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.410 12.430 25421
2271 1 13 . 1 1 23 23 CYS H H 23 8.917 8.917 8.709 0.208 25421
2272 1 13 . 1 1 24 24 SER N N 24 123.845 123.845 120.568 3.277 25421
2273 1 13 . 1 1 24 24 SER HA H 24 4.455 4.455 4.953 -0.498 25421
2274 1 13 . 1 1 24 24 SER C C 24 175.964 175.964 174.952 1.012 25421
2275 1 13 . 1 1 24 24 SER CA C 24 57.449 57.449 57.051 0.398 25421
2276 1 13 . 1 1 24 24 SER CB C 24 63.616 63.616 64.297 -0.681 25421
2277 1 13 . 1 1 24 24 SER H H 24 8.057 8.057 8.622 -0.565 25421
2278 1 13 . 1 1 25 25 SER N N 25 124.964 124.964 123.324 1.640 25421
2279 1 13 . 1 1 25 25 SER HA H 25 3.977 3.977 4.231 -0.254 25421
2280 1 13 . 1 1 25 25 SER C C 25 174.925 174.925 176.143 -1.218 25421
2281 1 13 . 1 1 25 25 SER CA C 25 61.411 61.411 60.113 1.298 25421
2282 1 13 . 1 1 25 25 SER CB C 25 62.650 62.650 63.276 -0.626 25421
2283 1 13 . 1 1 25 25 SER H H 25 9.029 9.029 9.058 -0.029 25421
2284 1 13 . 1 1 26 26 ARG N N 26 119.221 119.221 121.631 -2.410 25421
2285 1 13 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.068 0.057 25421
2286 1 13 . 1 1 26 26 ARG C C 26 177.031 177.031 176.702 0.329 25421
2287 1 13 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.745 -0.809 25421
2288 1 13 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.190 0.930 25421
2289 1 13 . 1 1 26 26 ARG H H 26 7.880 7.880 8.109 -0.229 25421
2290 1 13 . 1 1 27 27 ASP N N 27 115.090 115.090 115.561 -0.471 25421
2291 1 13 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.385 -0.112 25421
2292 1 13 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.150 1.407 25421
2293 1 13 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.598 0.357 25421
2294 1 13 . 1 1 27 27 ASP H H 27 7.396 7.396 7.493 -0.097 25421
2295 1 13 . 1 1 28 28 LYS N N 28 114.145 114.145 116.996 -2.851 25421
2296 1 13 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.011 -0.169 25421
2297 1 13 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.465 0.021 25421
2298 1 13 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.929 -1.863 25421
2299 1 13 . 1 1 28 28 LYS H H 28 8.096 8.096 7.968 0.128 25421
2300 1 13 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.436 -0.039 25421
2301 1 13 . 1 1 29 29 TRP C C 29 177.187 177.187 174.922 2.265 25421
2302 1 13 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.060 2.644 25421
2303 1 13 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.801 1.478 25421
2304 1 13 . 1 1 30 30 CYS N N 30 119.238 119.238 119.200 0.038 25421
2305 1 13 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.180 -0.284 25421
2306 1 13 . 1 1 30 30 CYS C C 30 174.364 174.364 174.717 -0.353 25421
2307 1 13 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.181 -2.595 25421
2308 1 13 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.575 10.631 25421
2309 1 13 . 1 1 30 30 CYS H H 30 8.447 8.447 8.210 0.237 25421
2310 1 13 . 1 1 31 31 LYS N N 31 124.793 124.793 120.874 3.919 25421
2311 1 13 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.792 0.249 25421
2312 1 13 . 1 1 31 31 LYS C C 31 175.662 175.662 174.819 0.843 25421
2313 1 13 . 1 1 31 31 LYS CA C 31 55.176 55.176 53.969 1.207 25421
2314 1 13 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.983 -0.108 25421
2315 1 13 . 1 1 31 31 LYS H H 31 9.191 9.191 8.803 0.388 25421
2316 1 13 . 1 1 32 32 VAL N N 32 121.483 121.483 122.765 -1.282 25421
2317 1 13 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.942 -0.121 25421
2318 1 13 . 1 1 32 32 VAL C C 32 175.973 175.973 174.781 1.192 25421
2319 1 13 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.669 4.404 25421
2320 1 13 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.316 -0.948 25421
2321 1 13 . 1 1 32 32 VAL H H 32 8.424 8.424 8.550 -0.126 25421
2322 1 13 . 1 1 33 33 LEU N N 33 128.865 128.865 129.486 -0.621 25421
2323 1 13 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.335 -0.028 25421
2324 1 13 . 1 1 33 33 LEU C C 33 175.217 175.217 176.880 -1.663 25421
2325 1 13 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.723 0.592 25421
2326 1 13 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.088 1.501 25421
2327 1 13 . 1 1 33 33 LEU H H 33 8.045 8.045 8.177 -0.132 25421
2328 1 14 . 1 1 2 2 GLU N N 2 120.667 120.667 120.188 0.479 25421
2329 1 14 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.813 -0.387 25421
2330 1 14 . 1 1 2 2 GLU C C 2 175.960 175.960 175.870 0.090 25421
2331 1 14 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.051 0.022 25421
2332 1 14 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.035 -0.596 25421
2333 1 14 . 1 1 2 2 GLU H H 2 8.716 8.716 8.638 0.078 25421
2334 1 14 . 1 1 3 3 CYS N N 3 119.340 119.340 118.629 0.711 25421
2335 1 14 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.711 0.111 25421
2336 1 14 . 1 1 3 3 CYS C C 3 173.426 173.426 174.716 -1.290 25421
2337 1 14 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.860 -2.160 25421
2338 1 14 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.393 13.223 25421
2339 1 14 . 1 1 3 3 CYS H H 3 8.457 8.457 8.466 -0.009 25421
2340 1 14 . 1 1 4 4 LYS N N 4 121.064 121.064 123.033 -1.969 25421
2341 1 14 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.257 0.069 25421
2342 1 14 . 1 1 4 4 LYS C C 4 174.620 174.620 176.879 -2.259 25421
2343 1 14 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.866 -1.263 25421
2344 1 14 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.016 1.294 25421
2345 1 14 . 1 1 4 4 LYS H H 4 8.763 8.763 8.400 0.363 25421
2346 1 14 . 1 1 5 5 GLY N N 5 109.502 109.502 107.362 2.140 25421
2347 1 14 . 1 1 5 5 GLY C C 5 171.833 171.833 173.793 -1.960 25421
2348 1 14 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.418 -2.776 25421
2349 1 14 . 1 1 5 5 GLY H H 5 7.983 7.983 8.210 -0.227 25421
2350 1 14 . 1 1 6 6 PHE N N 6 117.331 117.331 118.760 -1.429 25421
2351 1 14 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.980 -1.354 25421
2352 1 14 . 1 1 6 6 PHE C C 6 176.435 176.435 175.294 1.141 25421
2353 1 14 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.202 -0.289 25421
2354 1 14 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.271 -2.188 25421
2355 1 14 . 1 1 6 6 PHE H H 6 7.581 7.581 8.165 -0.584 25421
2356 1 14 . 1 1 7 7 TRP N N 7 123.869 123.869 120.362 3.507 25421
2357 1 14 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.336 -0.748 25421
2358 1 14 . 1 1 7 7 TRP C C 7 175.204 175.204 175.600 -0.396 25421
2359 1 14 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.129 1.391 25421
2360 1 14 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.051 -1.764 25421
2361 1 14 . 1 1 7 7 TRP H H 7 8.997 8.997 8.030 0.967 25421
2362 1 14 . 1 1 8 8 LYS N N 8 118.614 118.614 119.130 -0.516 25421
2363 1 14 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.224 0.286 25421
2364 1 14 . 1 1 8 8 LYS C C 8 176.595 176.595 175.596 0.999 25421
2365 1 14 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.617 -2.634 25421
2366 1 14 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.725 0.071 25421
2367 1 14 . 1 1 8 8 LYS H H 8 7.719 7.719 7.698 0.021 25421
2368 1 14 . 1 1 9 9 SER N N 9 116.747 116.747 113.646 3.101 25421
2369 1 14 . 1 1 9 9 SER HA H 9 4.808 4.808 4.882 -0.074 25421
2370 1 14 . 1 1 9 9 SER C C 9 172.976 172.976 174.064 -1.088 25421
2371 1 14 . 1 1 9 9 SER CA C 9 59.175 59.175 56.821 2.354 25421
2372 1 14 . 1 1 9 9 SER CB C 9 63.827 63.827 64.058 -0.231 25421
2373 1 14 . 1 1 9 9 SER H H 9 8.430 8.430 8.305 0.125 25421
2374 1 14 . 1 1 10 10 CYS N N 10 118.508 118.508 119.991 -1.483 25421
2375 1 14 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.917 0.061 25421
2376 1 14 . 1 1 10 10 CYS C C 10 172.556 172.556 172.768 -0.212 25421
2377 1 14 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.761 -3.483 25421
2378 1 14 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.378 15.382 25421
2379 1 14 . 1 1 10 10 CYS H H 10 8.142 8.142 8.289 -0.147 25421
2380 1 14 . 1 1 11 11 VAL N N 11 122.963 122.963 114.718 8.245 25421
2381 1 14 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.656 -0.321 25421
2382 1 14 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.655 1.669 25421
2383 1 14 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.531 0.392 25421
2384 1 14 . 1 1 11 11 VAL H H 11 8.835 8.835 8.414 0.421 25421
2385 1 14 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.345 -0.402 25421
2386 1 14 . 1 1 12 12 PRO C C 12 176.806 176.806 177.763 -0.957 25421
2387 1 14 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.615 0.714 25421
2388 1 14 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.581 0.208 25421
2389 1 14 . 1 1 13 13 GLY N N 13 111.847 111.847 114.111 -2.264 25421
2390 1 14 . 1 1 13 13 GLY C C 13 174.856 174.856 175.313 -0.457 25421
2391 1 14 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.322 -0.026 25421
2392 1 14 . 1 1 13 13 GLY H H 13 8.826 8.826 8.677 0.149 25421
2393 1 14 . 1 1 14 14 LYS N N 14 117.957 117.957 121.451 -3.494 25421
2394 1 14 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.310 0.173 25421
2395 1 14 . 1 1 14 14 LYS C C 14 175.718 175.718 176.979 -1.261 25421
2396 1 14 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.412 -0.999 25421
2397 1 14 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.123 -0.270 25421
2398 1 14 . 1 1 14 14 LYS H H 14 7.590 7.590 7.663 -0.073 25421
2399 1 14 . 1 1 15 15 ASN N N 15 118.663 118.663 115.211 3.452 25421
2400 1 14 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.481 0.196 25421
2401 1 14 . 1 1 15 15 ASN C C 15 175.372 175.372 175.075 0.297 25421
2402 1 14 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.977 -0.355 25421
2403 1 14 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.948 0.423 25421
2404 1 14 . 1 1 15 15 ASN H H 15 8.473 8.473 8.038 0.435 25421
2405 1 14 . 1 1 16 16 GLU N N 16 115.492 115.492 114.969 0.523 25421
2406 1 14 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.114 0.190 25421
2407 1 14 . 1 1 16 16 GLU C C 16 178.083 178.083 177.396 0.687 25421
2408 1 14 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.089 -0.667 25421
2409 1 14 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.095 2.431 25421
2410 1 14 . 1 1 16 16 GLU H H 16 8.848 8.848 8.630 0.218 25421
2411 1 14 . 1 1 17 17 CYS N N 17 117.244 117.244 117.202 0.042 25421
2412 1 14 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421
2413 1 14 . 1 1 17 17 CYS C C 17 175.716 175.716 176.040 -0.324 25421
2414 1 14 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.187 -4.657 25421
2415 1 14 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.304 12.770 25421
2416 1 14 . 1 1 17 17 CYS H H 17 8.278 8.278 8.182 0.096 25421
2417 1 14 . 1 1 18 18 CYS N N 18 121.456 121.456 121.107 0.349 25421
2418 1 14 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.476 0.090 25421
2419 1 14 . 1 1 18 18 CYS C C 18 172.720 172.720 175.780 -3.060 25421
2420 1 14 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.897 -4.561 25421
2421 1 14 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.132 13.011 25421
2422 1 14 . 1 1 18 18 CYS H H 18 9.308 9.308 8.561 0.747 25421
2423 1 14 . 1 1 19 19 SER N N 19 114.196 114.196 118.429 -4.233 25421
2424 1 14 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421
2425 1 14 . 1 1 19 19 SER C C 19 175.114 175.114 175.676 -0.562 25421
2426 1 14 . 1 1 19 19 SER CA C 19 60.335 60.335 60.011 0.324 25421
2427 1 14 . 1 1 19 19 SER CB C 19 63.047 63.047 63.436 -0.389 25421
2428 1 14 . 1 1 19 19 SER H H 19 8.461 8.461 8.788 -0.327 25421
2429 1 14 . 1 1 20 20 GLY N N 20 113.736 113.736 113.860 -0.124 25421
2430 1 14 . 1 1 20 20 GLY C C 20 173.468 173.468 174.080 -0.612 25421
2431 1 14 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.810 -0.228 25421
2432 1 14 . 1 1 20 20 GLY H H 20 8.836 8.836 8.650 0.186 25421
2433 1 14 . 1 1 21 21 TYR N N 21 118.820 118.820 121.309 -2.489 25421
2434 1 14 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.883 0.386 25421
2435 1 14 . 1 1 21 21 TYR C C 21 174.011 174.011 174.669 -0.658 25421
2436 1 14 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.367 -1.312 25421
2437 1 14 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.519 2.140 25421
2438 1 14 . 1 1 21 21 TYR H H 21 8.276 8.276 7.996 0.280 25421
2439 1 14 . 1 1 22 22 ALA N N 22 120.868 120.868 124.392 -3.524 25421
2440 1 14 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.699 -0.046 25421
2441 1 14 . 1 1 22 22 ALA C C 22 176.439 176.439 175.097 1.342 25421
2442 1 14 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.361 0.610 25421
2443 1 14 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.648 1.458 25421
2444 1 14 . 1 1 22 22 ALA H H 22 9.357 9.357 8.336 1.021 25421
2445 1 14 . 1 1 23 23 CYS N N 23 122.679 122.679 118.104 4.575 25421
2446 1 14 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.145 -0.580 25421
2447 1 14 . 1 1 23 23 CYS C C 23 174.530 174.530 174.906 -0.376 25421
2448 1 14 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.197 -2.493 25421
2449 1 14 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.468 12.372 25421
2450 1 14 . 1 1 23 23 CYS H H 23 8.917 8.917 8.426 0.491 25421
2451 1 14 . 1 1 24 24 SER N N 24 123.845 123.845 120.555 3.290 25421
2452 1 14 . 1 1 24 24 SER HA H 24 4.455 4.455 4.948 -0.493 25421
2453 1 14 . 1 1 24 24 SER C C 24 175.964 175.964 174.959 1.005 25421
2454 1 14 . 1 1 24 24 SER CA C 24 57.449 57.449 57.042 0.407 25421
2455 1 14 . 1 1 24 24 SER CB C 24 63.616 63.616 64.293 -0.677 25421
2456 1 14 . 1 1 24 24 SER H H 24 8.057 8.057 8.673 -0.616 25421
2457 1 14 . 1 1 25 25 SER N N 25 124.964 124.964 123.134 1.830 25421
2458 1 14 . 1 1 25 25 SER HA H 25 3.977 3.977 4.297 -0.320 25421
2459 1 14 . 1 1 25 25 SER C C 25 174.925 174.925 175.575 -0.650 25421
2460 1 14 . 1 1 25 25 SER CA C 25 61.411 61.411 60.013 1.398 25421
2461 1 14 . 1 1 25 25 SER CB C 25 62.650 62.650 63.237 -0.587 25421
2462 1 14 . 1 1 25 25 SER H H 25 9.029 9.029 9.086 -0.057 25421
2463 1 14 . 1 1 26 26 ARG N N 26 119.221 119.221 121.297 -2.076 25421
2464 1 14 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.109 0.016 25421
2465 1 14 . 1 1 26 26 ARG C C 26 177.031 177.031 176.728 0.303 25421
2466 1 14 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.404 -0.469 25421
2467 1 14 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.418 0.702 25421
2468 1 14 . 1 1 26 26 ARG H H 26 7.880 7.880 7.962 -0.082 25421
2469 1 14 . 1 1 27 27 ASP N N 27 115.090 115.090 116.598 -1.508 25421
2470 1 14 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.328 -0.055 25421
2471 1 14 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.240 1.317 25421
2472 1 14 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.926 0.029 25421
2473 1 14 . 1 1 27 27 ASP H H 27 7.396 7.396 7.445 -0.049 25421
2474 1 14 . 1 1 28 28 LYS N N 28 114.145 114.145 117.039 -2.894 25421
2475 1 14 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421
2476 1 14 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.375 0.111 25421
2477 1 14 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.880 -1.813 25421
2478 1 14 . 1 1 28 28 LYS H H 28 8.096 8.096 7.911 0.185 25421
2479 1 14 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.263 0.134 25421
2480 1 14 . 1 1 29 29 TRP C C 29 177.187 177.187 174.900 2.287 25421
2481 1 14 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.987 2.717 25421
2482 1 14 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.618 1.661 25421
2483 1 14 . 1 1 30 30 CYS N N 30 119.238 119.238 119.129 0.109 25421
2484 1 14 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.184 -0.288 25421
2485 1 14 . 1 1 30 30 CYS C C 30 174.364 174.364 174.630 -0.266 25421
2486 1 14 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.247 -2.661 25421
2487 1 14 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.624 10.582 25421
2488 1 14 . 1 1 30 30 CYS H H 30 8.447 8.447 8.127 0.320 25421
2489 1 14 . 1 1 31 31 LYS N N 31 124.793 124.793 120.082 4.711 25421
2490 1 14 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.943 0.098 25421
2491 1 14 . 1 1 31 31 LYS C C 31 175.662 175.662 174.687 0.975 25421
2492 1 14 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.460 0.716 25421
2493 1 14 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.120 -0.245 25421
2494 1 14 . 1 1 31 31 LYS H H 31 9.191 9.191 8.786 0.405 25421
2495 1 14 . 1 1 32 32 VAL N N 32 121.483 121.483 121.907 -0.424 25421
2496 1 14 . 1 1 32 32 VAL HA H 32 3.821 3.821 4.010 -0.189 25421
2497 1 14 . 1 1 32 32 VAL C C 32 175.973 175.973 174.413 1.560 25421
2498 1 14 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.746 4.327 25421
2499 1 14 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.953 -1.585 25421
2500 1 14 . 1 1 32 32 VAL H H 32 8.424 8.424 8.578 -0.154 25421
2501 1 14 . 1 1 33 33 LEU N N 33 128.865 128.865 129.672 -0.807 25421
2502 1 14 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.272 0.035 25421
2503 1 14 . 1 1 33 33 LEU C C 33 175.217 175.217 176.801 -1.584 25421
2504 1 14 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.614 -0.299 25421
2505 1 14 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.662 0.927 25421
2506 1 14 . 1 1 33 33 LEU H H 33 8.045 8.045 8.338 -0.293 25421
2507 1 15 . 1 1 2 2 GLU N N 2 120.667 120.667 123.377 -2.710 25421
2508 1 15 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.813 -0.387 25421
2509 1 15 . 1 1 2 2 GLU C C 2 175.960 175.960 175.983 -0.023 25421
2510 1 15 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.043 0.030 25421
2511 1 15 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.311 -0.872 25421
2512 1 15 . 1 1 2 2 GLU H H 2 8.716 8.716 8.536 0.180 25421
2513 1 15 . 1 1 3 3 CYS N N 3 119.340 119.340 120.605 -1.265 25421
2514 1 15 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.659 0.163 25421
2515 1 15 . 1 1 3 3 CYS C C 3 173.426 173.426 175.221 -1.795 25421
2516 1 15 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.901 -2.201 25421
2517 1 15 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.746 13.870 25421
2518 1 15 . 1 1 3 3 CYS H H 3 8.457 8.457 8.440 0.017 25421
2519 1 15 . 1 1 4 4 LYS N N 4 121.064 121.064 123.282 -2.218 25421
2520 1 15 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.194 0.132 25421
2521 1 15 . 1 1 4 4 LYS C C 4 174.620 174.620 177.281 -2.661 25421
2522 1 15 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.745 -1.142 25421
2523 1 15 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.977 1.333 25421
2524 1 15 . 1 1 4 4 LYS H H 4 8.763 8.763 8.335 0.428 25421
2525 1 15 . 1 1 5 5 GLY N N 5 109.502 109.502 107.319 2.183 25421
2526 1 15 . 1 1 5 5 GLY C C 5 171.833 171.833 173.833 -2.000 25421
2527 1 15 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.431 -2.789 25421
2528 1 15 . 1 1 5 5 GLY H H 5 7.983 7.983 8.217 -0.234 25421
2529 1 15 . 1 1 6 6 PHE N N 6 117.331 117.331 118.948 -1.617 25421
2530 1 15 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.930 -1.304 25421
2531 1 15 . 1 1 6 6 PHE C C 6 176.435 176.435 175.099 1.336 25421
2532 1 15 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.874 0.039 25421
2533 1 15 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.132 -2.049 25421
2534 1 15 . 1 1 6 6 PHE H H 6 7.581 7.581 8.291 -0.710 25421
2535 1 15 . 1 1 7 7 TRP N N 7 123.869 123.869 121.130 2.739 25421
2536 1 15 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.377 -0.789 25421
2537 1 15 . 1 1 7 7 TRP C C 7 175.204 175.204 175.961 -0.757 25421
2538 1 15 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.043 1.477 25421
2539 1 15 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.842 -1.555 25421
2540 1 15 . 1 1 7 7 TRP H H 7 8.997 8.997 8.078 0.919 25421
2541 1 15 . 1 1 8 8 LYS N N 8 118.614 118.614 120.709 -2.095 25421
2542 1 15 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.370 0.140 25421
2543 1 15 . 1 1 8 8 LYS C C 8 176.595 176.595 176.169 0.426 25421
2544 1 15 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.294 -2.310 25421
2545 1 15 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.817 -0.021 25421
2546 1 15 . 1 1 8 8 LYS H H 8 7.719 7.719 7.717 0.002 25421
2547 1 15 . 1 1 9 9 SER N N 9 116.747 116.747 114.786 1.961 25421
2548 1 15 . 1 1 9 9 SER HA H 9 4.808 4.808 4.893 -0.085 25421
2549 1 15 . 1 1 9 9 SER C C 9 172.976 172.976 173.674 -0.698 25421
2550 1 15 . 1 1 9 9 SER CA C 9 59.175 59.175 56.755 2.420 25421
2551 1 15 . 1 1 9 9 SER CB C 9 63.827 63.827 63.639 0.188 25421
2552 1 15 . 1 1 9 9 SER H H 9 8.430 8.430 8.230 0.200 25421
2553 1 15 . 1 1 10 10 CYS N N 10 118.508 118.508 120.335 -1.827 25421
2554 1 15 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.877 0.101 25421
2555 1 15 . 1 1 10 10 CYS C C 10 172.556 172.556 173.153 -0.597 25421
2556 1 15 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.243 -2.965 25421
2557 1 15 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.231 15.529 25421
2558 1 15 . 1 1 10 10 CYS H H 10 8.142 8.142 7.966 0.176 25421
2559 1 15 . 1 1 11 11 VAL N N 11 122.963 122.963 114.429 8.534 25421
2560 1 15 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.601 -0.266 25421
2561 1 15 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.316 1.008 25421
2562 1 15 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.160 -0.236 25421
2563 1 15 . 1 1 11 11 VAL H H 11 8.835 8.835 8.283 0.552 25421
2564 1 15 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.374 -0.431 25421
2565 1 15 . 1 1 12 12 PRO C C 12 176.806 176.806 177.601 -0.795 25421
2566 1 15 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.794 0.535 25421
2567 1 15 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.000 0.789 25421
2568 1 15 . 1 1 13 13 GLY N N 13 111.847 111.847 114.319 -2.472 25421
2569 1 15 . 1 1 13 13 GLY C C 13 174.856 174.856 175.181 -0.325 25421
2570 1 15 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.167 0.129 25421
2571 1 15 . 1 1 13 13 GLY H H 13 8.826 8.826 8.605 0.221 25421
2572 1 15 . 1 1 14 14 LYS N N 14 117.957 117.957 120.729 -2.772 25421
2573 1 15 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.317 0.166 25421
2574 1 15 . 1 1 14 14 LYS C C 14 175.718 175.718 176.693 -0.975 25421
2575 1 15 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.844 -1.431 25421
2576 1 15 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.450 -0.597 25421
2577 1 15 . 1 1 14 14 LYS H H 14 7.590 7.590 7.625 -0.035 25421
2578 1 15 . 1 1 15 15 ASN N N 15 118.663 118.663 115.735 2.928 25421
2579 1 15 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.461 0.216 25421
2580 1 15 . 1 1 15 15 ASN C C 15 175.372 175.372 175.093 0.279 25421
2581 1 15 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.978 -0.356 25421
2582 1 15 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.559 0.812 25421
2583 1 15 . 1 1 15 15 ASN H H 15 8.473 8.473 8.105 0.368 25421
2584 1 15 . 1 1 16 16 GLU N N 16 115.492 115.492 115.712 -0.220 25421
2585 1 15 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.160 0.144 25421
2586 1 15 . 1 1 16 16 GLU C C 16 178.083 178.083 177.521 0.562 25421
2587 1 15 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.093 -0.671 25421
2588 1 15 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.104 2.422 25421
2589 1 15 . 1 1 16 16 GLU H H 16 8.848 8.848 8.641 0.207 25421
2590 1 15 . 1 1 17 17 CYS N N 17 117.244 117.244 117.198 0.046 25421
2591 1 15 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.189 0.987 25421
2592 1 15 . 1 1 17 17 CYS C C 17 175.716 175.716 176.048 -0.332 25421
2593 1 15 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.309 -4.779 25421
2594 1 15 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.366 12.708 25421
2595 1 15 . 1 1 17 17 CYS H H 17 8.278 8.278 8.168 0.110 25421
2596 1 15 . 1 1 18 18 CYS N N 18 121.456 121.456 121.443 0.013 25421
2597 1 15 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.518 0.048 25421
2598 1 15 . 1 1 18 18 CYS C C 18 172.720 172.720 175.833 -3.113 25421
2599 1 15 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.745 -4.409 25421
2600 1 15 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.153 12.990 25421
2601 1 15 . 1 1 18 18 CYS H H 18 9.308 9.308 8.690 0.618 25421
2602 1 15 . 1 1 19 19 SER N N 19 114.196 114.196 118.372 -4.176 25421
2603 1 15 . 1 1 19 19 SER HA H 19 4.273 4.273 4.266 0.006 25421
2604 1 15 . 1 1 19 19 SER C C 19 175.114 175.114 175.705 -0.591 25421
2605 1 15 . 1 1 19 19 SER CA C 19 60.335 60.335 60.030 0.305 25421
2606 1 15 . 1 1 19 19 SER CB C 19 63.047 63.047 63.520 -0.473 25421
2607 1 15 . 1 1 19 19 SER H H 19 8.461 8.461 8.781 -0.320 25421
2608 1 15 . 1 1 20 20 GLY N N 20 113.736 113.736 113.658 0.078 25421
2609 1 15 . 1 1 20 20 GLY C C 20 173.468 173.468 174.069 -0.601 25421
2610 1 15 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.857 -0.275 25421
2611 1 15 . 1 1 20 20 GLY H H 20 8.836 8.836 8.628 0.208 25421
2612 1 15 . 1 1 21 21 TYR N N 21 118.820 118.820 121.210 -2.390 25421
2613 1 15 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.905 0.364 25421
2614 1 15 . 1 1 21 21 TYR C C 21 174.011 174.011 174.643 -0.632 25421
2615 1 15 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.245 -1.190 25421
2616 1 15 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.616 2.043 25421
2617 1 15 . 1 1 21 21 TYR H H 21 8.276 8.276 7.984 0.292 25421
2618 1 15 . 1 1 22 22 ALA N N 22 120.868 120.868 124.708 -3.840 25421
2619 1 15 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.753 -0.100 25421
2620 1 15 . 1 1 22 22 ALA C C 22 176.439 176.439 175.279 1.160 25421
2621 1 15 . 1 1 22 22 ALA CA C 22 50.971 50.971 49.996 0.975 25421
2622 1 15 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.200 0.907 25421
2623 1 15 . 1 1 22 22 ALA H H 22 9.357 9.357 8.237 1.120 25421
2624 1 15 . 1 1 23 23 CYS N N 23 122.679 122.679 118.227 4.452 25421
2625 1 15 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.214 -0.649 25421
2626 1 15 . 1 1 23 23 CYS C C 23 174.530 174.530 174.907 -0.377 25421
2627 1 15 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.196 -2.492 25421
2628 1 15 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.484 12.356 25421
2629 1 15 . 1 1 23 23 CYS H H 23 8.917 8.917 8.733 0.184 25421
2630 1 15 . 1 1 24 24 SER N N 24 123.845 123.845 120.554 3.291 25421
2631 1 15 . 1 1 24 24 SER HA H 24 4.455 4.455 4.951 -0.496 25421
2632 1 15 . 1 1 24 24 SER C C 24 175.964 175.964 174.931 1.033 25421
2633 1 15 . 1 1 24 24 SER CA C 24 57.449 57.449 57.026 0.423 25421
2634 1 15 . 1 1 24 24 SER CB C 24 63.616 63.616 64.308 -0.692 25421
2635 1 15 . 1 1 24 24 SER H H 24 8.057 8.057 8.646 -0.589 25421
2636 1 15 . 1 1 25 25 SER N N 25 124.964 124.964 123.167 1.797 25421
2637 1 15 . 1 1 25 25 SER HA H 25 3.977 3.977 4.297 -0.320 25421
2638 1 15 . 1 1 25 25 SER C C 25 174.925 174.925 175.565 -0.640 25421
2639 1 15 . 1 1 25 25 SER CA C 25 61.411 61.411 60.043 1.368 25421
2640 1 15 . 1 1 25 25 SER CB C 25 62.650 62.650 63.235 -0.585 25421
2641 1 15 . 1 1 25 25 SER H H 25 9.029 9.029 9.086 -0.057 25421
2642 1 15 . 1 1 26 26 ARG N N 26 119.221 119.221 121.108 -1.887 25421
2643 1 15 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.106 0.019 25421
2644 1 15 . 1 1 26 26 ARG C C 26 177.031 177.031 176.777 0.254 25421
2645 1 15 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.344 -0.409 25421
2646 1 15 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.434 0.686 25421
2647 1 15 . 1 1 26 26 ARG H H 26 7.880 7.880 7.941 -0.061 25421
2648 1 15 . 1 1 27 27 ASP N N 27 115.090 115.090 116.465 -1.375 25421
2649 1 15 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.337 -0.064 25421
2650 1 15 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.093 1.464 25421
2651 1 15 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.880 0.075 25421
2652 1 15 . 1 1 27 27 ASP H H 27 7.396 7.396 7.455 -0.059 25421
2653 1 15 . 1 1 28 28 LYS N N 28 114.145 114.145 116.955 -2.810 25421
2654 1 15 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421
2655 1 15 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.406 0.080 25421
2656 1 15 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.881 -1.815 25421
2657 1 15 . 1 1 28 28 LYS H H 28 8.096 8.096 7.923 0.173 25421
2658 1 15 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.356 0.041 25421
2659 1 15 . 1 1 29 29 TRP C C 29 177.187 177.187 174.951 2.236 25421
2660 1 15 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.976 2.728 25421
2661 1 15 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.674 1.605 25421
2662 1 15 . 1 1 30 30 CYS N N 30 119.238 119.238 119.144 0.094 25421
2663 1 15 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.196 -0.300 25421
2664 1 15 . 1 1 30 30 CYS C C 30 174.364 174.364 174.685 -0.321 25421
2665 1 15 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.246 -2.660 25421
2666 1 15 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.684 10.522 25421
2667 1 15 . 1 1 30 30 CYS H H 30 8.447 8.447 8.169 0.278 25421
2668 1 15 . 1 1 31 31 LYS N N 31 124.793 124.793 120.341 4.452 25421
2669 1 15 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421
2670 1 15 . 1 1 31 31 LYS C C 31 175.662 175.662 174.712 0.950 25421
2671 1 15 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.417 0.759 25421
2672 1 15 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.972 -0.097 25421
2673 1 15 . 1 1 31 31 LYS H H 31 9.191 9.191 8.786 0.405 25421
2674 1 15 . 1 1 32 32 VAL N N 32 121.483 121.483 122.541 -1.058 25421
2675 1 15 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.967 -0.146 25421
2676 1 15 . 1 1 32 32 VAL C C 32 175.973 175.973 174.557 1.416 25421
2677 1 15 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.393 4.680 25421
2678 1 15 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.337 -0.969 25421
2679 1 15 . 1 1 32 32 VAL H H 32 8.424 8.424 8.531 -0.107 25421
2680 1 15 . 1 1 33 33 LEU N N 33 128.865 128.865 128.956 -0.091 25421
2681 1 15 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.289 0.018 25421
2682 1 15 . 1 1 33 33 LEU C C 33 175.217 175.217 177.281 -2.064 25421
2683 1 15 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.908 0.407 25421
2684 1 15 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.203 0.386 25421
2685 1 15 . 1 1 33 33 LEU H H 33 8.045 8.045 8.400 -0.355 25421
2686 1 16 . 1 1 2 2 GLU N N 2 120.667 120.667 121.165 -0.498 25421
2687 1 16 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.597 -0.171 25421
2688 1 16 . 1 1 2 2 GLU C C 2 175.960 175.960 176.291 -0.331 25421
2689 1 16 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.389 0.684 25421
2690 1 16 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.447 -0.008 25421
2691 1 16 . 1 1 2 2 GLU H H 2 8.716 8.716 8.520 0.196 25421
2692 1 16 . 1 1 3 3 CYS N N 3 119.340 119.340 120.176 -0.836 25421
2693 1 16 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.478 0.344 25421
2694 1 16 . 1 1 3 3 CYS C C 3 173.426 173.426 175.494 -2.068 25421
2695 1 16 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.627 -2.927 25421
2696 1 16 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.410 14.207 25421
2697 1 16 . 1 1 3 3 CYS H H 3 8.457 8.457 8.408 0.049 25421
2698 1 16 . 1 1 4 4 LYS N N 4 121.064 121.064 124.213 -3.149 25421
2699 1 16 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.203 0.123 25421
2700 1 16 . 1 1 4 4 LYS C C 4 174.620 174.620 177.556 -2.936 25421
2701 1 16 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.813 -1.210 25421
2702 1 16 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.050 1.260 25421
2703 1 16 . 1 1 4 4 LYS H H 4 8.763 8.763 8.278 0.485 25421
2704 1 16 . 1 1 5 5 GLY N N 5 109.502 109.502 107.468 2.034 25421
2705 1 16 . 1 1 5 5 GLY C C 5 171.833 171.833 173.896 -2.063 25421
2706 1 16 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.433 -2.791 25421
2707 1 16 . 1 1 5 5 GLY H H 5 7.983 7.983 8.240 -0.257 25421
2708 1 16 . 1 1 6 6 PHE N N 6 117.331 117.331 118.861 -1.530 25421
2709 1 16 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.940 -1.314 25421
2710 1 16 . 1 1 6 6 PHE C C 6 176.435 176.435 175.015 1.420 25421
2711 1 16 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.848 0.065 25421
2712 1 16 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.166 -2.083 25421
2713 1 16 . 1 1 6 6 PHE H H 6 7.581 7.581 8.266 -0.685 25421
2714 1 16 . 1 1 7 7 TRP N N 7 123.869 123.869 121.118 2.751 25421
2715 1 16 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.400 -0.812 25421
2716 1 16 . 1 1 7 7 TRP C C 7 175.204 175.204 175.960 -0.756 25421
2717 1 16 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.973 1.547 25421
2718 1 16 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.863 -1.576 25421
2719 1 16 . 1 1 7 7 TRP H H 7 8.997 8.997 8.060 0.937 25421
2720 1 16 . 1 1 8 8 LYS N N 8 118.614 118.614 120.568 -1.954 25421
2721 1 16 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.344 0.166 25421
2722 1 16 . 1 1 8 8 LYS C C 8 176.595 176.595 175.988 0.607 25421
2723 1 16 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.279 -2.295 25421
2724 1 16 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.910 -0.114 25421
2725 1 16 . 1 1 8 8 LYS H H 8 7.719 7.719 7.710 0.009 25421
2726 1 16 . 1 1 9 9 SER N N 9 116.747 116.747 113.979 2.768 25421
2727 1 16 . 1 1 9 9 SER HA H 9 4.808 4.808 4.843 -0.035 25421
2728 1 16 . 1 1 9 9 SER C C 9 172.976 172.976 173.641 -0.665 25421
2729 1 16 . 1 1 9 9 SER CA C 9 59.175 59.175 56.937 2.238 25421
2730 1 16 . 1 1 9 9 SER CB C 9 63.827 63.827 63.454 0.373 25421
2731 1 16 . 1 1 9 9 SER H H 9 8.430 8.430 8.208 0.222 25421
2732 1 16 . 1 1 10 10 CYS N N 10 118.508 118.508 121.390 -2.882 25421
2733 1 16 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.076 -0.098 25421
2734 1 16 . 1 1 10 10 CYS C C 10 172.556 172.556 173.080 -0.524 25421
2735 1 16 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.720 -3.442 25421
2736 1 16 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.917 15.843 25421
2737 1 16 . 1 1 10 10 CYS H H 10 8.142 8.142 7.810 0.332 25421
2738 1 16 . 1 1 11 11 VAL N N 11 122.963 122.963 114.775 8.188 25421
2739 1 16 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.559 -0.224 25421
2740 1 16 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.123 1.201 25421
2741 1 16 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.107 -0.184 25421
2742 1 16 . 1 1 11 11 VAL H H 11 8.835 8.835 7.953 0.882 25421
2743 1 16 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.473 -0.530 25421
2744 1 16 . 1 1 12 12 PRO C C 12 176.806 176.806 177.894 -1.088 25421
2745 1 16 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.897 0.432 25421
2746 1 16 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.732 0.057 25421
2747 1 16 . 1 1 13 13 GLY N N 13 111.847 111.847 111.402 0.445 25421
2748 1 16 . 1 1 13 13 GLY C C 13 174.856 174.856 174.979 -0.123 25421
2749 1 16 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.169 0.127 25421
2750 1 16 . 1 1 13 13 GLY H H 13 8.826 8.826 8.626 0.200 25421
2751 1 16 . 1 1 14 14 LYS N N 14 117.957 117.957 120.648 -2.691 25421
2752 1 16 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.227 0.256 25421
2753 1 16 . 1 1 14 14 LYS C C 14 175.718 175.718 176.855 -1.137 25421
2754 1 16 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.545 -1.132 25421
2755 1 16 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.440 -0.587 25421
2756 1 16 . 1 1 14 14 LYS H H 14 7.590 7.590 7.488 0.102 25421
2757 1 16 . 1 1 15 15 ASN N N 15 118.663 118.663 116.918 1.745 25421
2758 1 16 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.474 0.203 25421
2759 1 16 . 1 1 15 15 ASN C C 15 175.372 175.372 175.368 0.004 25421
2760 1 16 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.746 -0.124 25421
2761 1 16 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.419 -0.048 25421
2762 1 16 . 1 1 15 15 ASN H H 15 8.473 8.473 8.044 0.429 25421
2763 1 16 . 1 1 16 16 GLU N N 16 115.492 115.492 115.243 0.249 25421
2764 1 16 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.202 0.102 25421
2765 1 16 . 1 1 16 16 GLU C C 16 178.083 178.083 177.394 0.689 25421
2766 1 16 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.801 -0.379 25421
2767 1 16 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.996 2.530 25421
2768 1 16 . 1 1 16 16 GLU H H 16 8.848 8.848 8.718 0.130 25421
2769 1 16 . 1 1 17 17 CYS N N 17 117.244 117.244 117.629 -0.385 25421
2770 1 16 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.170 1.006 25421
2771 1 16 . 1 1 17 17 CYS C C 17 175.716 175.716 175.984 -0.268 25421
2772 1 16 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.513 -4.983 25421
2773 1 16 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.263 12.811 25421
2774 1 16 . 1 1 17 17 CYS H H 17 8.278 8.278 8.229 0.049 25421
2775 1 16 . 1 1 18 18 CYS N N 18 121.456 121.456 122.707 -1.251 25421
2776 1 16 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.419 0.147 25421
2777 1 16 . 1 1 18 18 CYS C C 18 172.720 172.720 175.978 -3.258 25421
2778 1 16 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.022 -4.686 25421
2779 1 16 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.570 13.573 25421
2780 1 16 . 1 1 18 18 CYS H H 18 9.308 9.308 8.590 0.718 25421
2781 1 16 . 1 1 19 19 SER N N 19 114.196 114.196 117.355 -3.159 25421
2782 1 16 . 1 1 19 19 SER HA H 19 4.273 4.273 4.287 -0.014 25421
2783 1 16 . 1 1 19 19 SER C C 19 175.114 175.114 175.770 -0.656 25421
2784 1 16 . 1 1 19 19 SER CA C 19 60.335 60.335 60.341 -0.006 25421
2785 1 16 . 1 1 19 19 SER CB C 19 63.047 63.047 63.459 -0.412 25421
2786 1 16 . 1 1 19 19 SER H H 19 8.461 8.461 8.595 -0.134 25421
2787 1 16 . 1 1 20 20 GLY N N 20 113.736 113.736 113.663 0.073 25421
2788 1 16 . 1 1 20 20 GLY C C 20 173.468 173.468 174.089 -0.621 25421
2789 1 16 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.817 -0.235 25421
2790 1 16 . 1 1 20 20 GLY H H 20 8.836 8.836 8.663 0.173 25421
2791 1 16 . 1 1 21 21 TYR N N 21 118.820 118.820 121.358 -2.538 25421
2792 1 16 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.886 0.383 25421
2793 1 16 . 1 1 21 21 TYR C C 21 174.011 174.011 174.638 -0.627 25421
2794 1 16 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.334 -1.279 25421
2795 1 16 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.522 2.137 25421
2796 1 16 . 1 1 21 21 TYR H H 21 8.276 8.276 8.017 0.259 25421
2797 1 16 . 1 1 22 22 ALA N N 22 120.868 120.868 123.902 -3.034 25421
2798 1 16 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.738 -0.085 25421
2799 1 16 . 1 1 22 22 ALA C C 22 176.439 176.439 175.511 0.928 25421
2800 1 16 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.378 0.593 25421
2801 1 16 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.634 1.472 25421
2802 1 16 . 1 1 22 22 ALA H H 22 9.357 9.357 8.279 1.078 25421
2803 1 16 . 1 1 23 23 CYS N N 23 122.679 122.679 118.117 4.562 25421
2804 1 16 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.133 -0.568 25421
2805 1 16 . 1 1 23 23 CYS C C 23 174.530 174.530 174.904 -0.374 25421
2806 1 16 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.175 -2.471 25421
2807 1 16 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.468 12.372 25421
2808 1 16 . 1 1 23 23 CYS H H 23 8.917 8.917 8.429 0.488 25421
2809 1 16 . 1 1 24 24 SER N N 24 123.845 123.845 121.032 2.813 25421
2810 1 16 . 1 1 24 24 SER HA H 24 4.455 4.455 4.843 -0.388 25421
2811 1 16 . 1 1 24 24 SER C C 24 175.964 175.964 174.466 1.498 25421
2812 1 16 . 1 1 24 24 SER CA C 24 57.449 57.449 57.435 0.014 25421
2813 1 16 . 1 1 24 24 SER CB C 24 63.616 63.616 64.455 -0.839 25421
2814 1 16 . 1 1 24 24 SER H H 24 8.057 8.057 8.648 -0.591 25421
2815 1 16 . 1 1 25 25 SER N N 25 124.964 124.964 123.486 1.478 25421
2816 1 16 . 1 1 25 25 SER HA H 25 3.977 3.977 4.319 -0.342 25421
2817 1 16 . 1 1 25 25 SER C C 25 174.925 174.925 175.838 -0.913 25421
2818 1 16 . 1 1 25 25 SER CA C 25 61.411 61.411 59.966 1.445 25421
2819 1 16 . 1 1 25 25 SER CB C 25 62.650 62.650 62.971 -0.321 25421
2820 1 16 . 1 1 25 25 SER H H 25 9.029 9.029 9.076 -0.047 25421
2821 1 16 . 1 1 26 26 ARG N N 26 119.221 119.221 120.298 -1.077 25421
2822 1 16 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.136 -0.011 25421
2823 1 16 . 1 1 26 26 ARG C C 26 177.031 177.031 176.844 0.187 25421
2824 1 16 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.179 -0.244 25421
2825 1 16 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.525 0.595 25421
2826 1 16 . 1 1 26 26 ARG H H 26 7.880 7.880 7.969 -0.089 25421
2827 1 16 . 1 1 27 27 ASP N N 27 115.090 115.090 116.199 -1.109 25421
2828 1 16 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.362 -0.089 25421
2829 1 16 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.988 1.569 25421
2830 1 16 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.536 0.419 25421
2831 1 16 . 1 1 27 27 ASP H H 27 7.396 7.396 7.462 -0.066 25421
2832 1 16 . 1 1 28 28 LYS N N 28 114.145 114.145 116.778 -2.633 25421
2833 1 16 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.990 -0.148 25421
2834 1 16 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.385 0.101 25421
2835 1 16 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.656 -1.590 25421
2836 1 16 . 1 1 28 28 LYS H H 28 8.096 8.096 7.918 0.178 25421
2837 1 16 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.313 0.084 25421
2838 1 16 . 1 1 29 29 TRP C C 29 177.187 177.187 174.918 2.269 25421
2839 1 16 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.962 2.742 25421
2840 1 16 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.622 1.657 25421
2841 1 16 . 1 1 30 30 CYS N N 30 119.238 119.238 119.138 0.100 25421
2842 1 16 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.178 -0.282 25421
2843 1 16 . 1 1 30 30 CYS C C 30 174.364 174.364 174.698 -0.334 25421
2844 1 16 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.311 -2.725 25421
2845 1 16 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.591 10.615 25421
2846 1 16 . 1 1 30 30 CYS H H 30 8.447 8.447 8.169 0.278 25421
2847 1 16 . 1 1 31 31 LYS N N 31 124.793 124.793 120.270 4.523 25421
2848 1 16 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.924 0.117 25421
2849 1 16 . 1 1 31 31 LYS C C 31 175.662 175.662 174.854 0.808 25421
2850 1 16 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.541 0.635 25421
2851 1 16 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.003 -0.128 25421
2852 1 16 . 1 1 31 31 LYS H H 31 9.191 9.191 8.758 0.433 25421
2853 1 16 . 1 1 32 32 VAL N N 32 121.483 121.483 121.500 -0.017 25421
2854 1 16 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.916 -0.095 25421
2855 1 16 . 1 1 32 32 VAL C C 32 175.973 175.973 174.568 1.405 25421
2856 1 16 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.550 3.523 25421
2857 1 16 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.691 -1.323 25421
2858 1 16 . 1 1 32 32 VAL H H 32 8.424 8.424 8.538 -0.114 25421
2859 1 16 . 1 1 33 33 LEU N N 33 128.865 128.865 128.521 0.344 25421
2860 1 16 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.347 -0.040 25421
2861 1 16 . 1 1 33 33 LEU C C 33 175.217 175.217 177.515 -2.298 25421
2862 1 16 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.110 0.205 25421
2863 1 16 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.958 0.631 25421
2864 1 16 . 1 1 33 33 LEU H H 33 8.045 8.045 8.221 -0.176 25421
2865 1 17 . 1 1 2 2 GLU N N 2 120.667 120.667 120.532 0.135 25421
2866 1 17 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.529 -0.103 25421
2867 1 17 . 1 1 2 2 GLU C C 2 175.960 175.960 176.187 -0.227 25421
2868 1 17 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.981 0.092 25421
2869 1 17 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.888 -0.449 25421
2870 1 17 . 1 1 2 2 GLU H H 2 8.716 8.716 8.289 0.427 25421
2871 1 17 . 1 1 3 3 CYS N N 3 119.340 119.340 118.281 1.059 25421
2872 1 17 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.589 0.233 25421
2873 1 17 . 1 1 3 3 CYS C C 3 173.426 173.426 175.315 -1.889 25421
2874 1 17 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.591 -1.891 25421
2875 1 17 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.984 13.632 25421
2876 1 17 . 1 1 3 3 CYS H H 3 8.457 8.457 8.510 -0.053 25421
2877 1 17 . 1 1 4 4 LYS N N 4 121.064 121.064 122.897 -1.833 25421
2878 1 17 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.222 0.104 25421
2879 1 17 . 1 1 4 4 LYS C C 4 174.620 174.620 177.303 -2.683 25421
2880 1 17 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.669 -1.066 25421
2881 1 17 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.072 1.238 25421
2882 1 17 . 1 1 4 4 LYS H H 4 8.763 8.763 8.117 0.646 25421
2883 1 17 . 1 1 5 5 GLY N N 5 109.502 109.502 107.316 2.186 25421
2884 1 17 . 1 1 5 5 GLY C C 5 171.833 171.833 173.899 -2.066 25421
2885 1 17 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.424 -2.782 25421
2886 1 17 . 1 1 5 5 GLY H H 5 7.983 7.983 8.194 -0.211 25421
2887 1 17 . 1 1 6 6 PHE N N 6 117.331 117.331 119.060 -1.729 25421
2888 1 17 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.923 -1.297 25421
2889 1 17 . 1 1 6 6 PHE C C 6 176.435 176.435 175.102 1.333 25421
2890 1 17 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.871 0.042 25421
2891 1 17 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.069 -1.986 25421
2892 1 17 . 1 1 6 6 PHE H H 6 7.581 7.581 8.300 -0.719 25421
2893 1 17 . 1 1 7 7 TRP N N 7 123.869 123.869 121.080 2.789 25421
2894 1 17 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.336 -0.748 25421
2895 1 17 . 1 1 7 7 TRP C C 7 175.204 175.204 175.950 -0.746 25421
2896 1 17 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.082 1.438 25421
2897 1 17 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.791 -1.504 25421
2898 1 17 . 1 1 7 7 TRP H H 7 8.997 8.997 8.068 0.929 25421
2899 1 17 . 1 1 8 8 LYS N N 8 118.614 118.614 120.424 -1.810 25421
2900 1 17 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.368 0.142 25421
2901 1 17 . 1 1 8 8 LYS C C 8 176.595 176.595 175.944 0.651 25421
2902 1 17 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.215 -2.231 25421
2903 1 17 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.940 -0.144 25421
2904 1 17 . 1 1 8 8 LYS H H 8 7.719 7.719 7.703 0.016 25421
2905 1 17 . 1 1 9 9 SER N N 9 116.747 116.747 114.120 2.627 25421
2906 1 17 . 1 1 9 9 SER HA H 9 4.808 4.808 4.877 -0.069 25421
2907 1 17 . 1 1 9 9 SER C C 9 172.976 172.976 173.660 -0.684 25421
2908 1 17 . 1 1 9 9 SER CA C 9 59.175 59.175 56.846 2.329 25421
2909 1 17 . 1 1 9 9 SER CB C 9 63.827 63.827 63.747 0.080 25421
2910 1 17 . 1 1 9 9 SER H H 9 8.430 8.430 8.228 0.202 25421
2911 1 17 . 1 1 10 10 CYS N N 10 118.508 118.508 120.871 -2.363 25421
2912 1 17 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.045 -0.067 25421
2913 1 17 . 1 1 10 10 CYS C C 10 172.556 172.556 172.994 -0.438 25421
2914 1 17 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.633 -3.355 25421
2915 1 17 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.921 15.839 25421
2916 1 17 . 1 1 10 10 CYS H H 10 8.142 8.142 8.056 0.086 25421
2917 1 17 . 1 1 11 11 VAL N N 11 122.963 122.963 114.946 8.017 25421
2918 1 17 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.566 -0.231 25421
2919 1 17 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.562 0.763 25421
2920 1 17 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.388 -0.465 25421
2921 1 17 . 1 1 11 11 VAL H H 11 8.835 8.835 8.071 0.764 25421
2922 1 17 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.438 -0.495 25421
2923 1 17 . 1 1 12 12 PRO C C 12 176.806 176.806 177.625 -0.819 25421
2924 1 17 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.124 0.205 25421
2925 1 17 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.249 0.540 25421
2926 1 17 . 1 1 13 13 GLY N N 13 111.847 111.847 112.971 -1.124 25421
2927 1 17 . 1 1 13 13 GLY C C 13 174.856 174.856 175.058 -0.202 25421
2928 1 17 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.048 0.248 25421
2929 1 17 . 1 1 13 13 GLY H H 13 8.826 8.826 8.593 0.233 25421
2930 1 17 . 1 1 14 14 LYS N N 14 117.957 117.957 120.792 -2.835 25421
2931 1 17 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.233 0.250 25421
2932 1 17 . 1 1 14 14 LYS C C 14 175.718 175.718 176.877 -1.159 25421
2933 1 17 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.638 -1.225 25421
2934 1 17 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.395 -0.542 25421
2935 1 17 . 1 1 14 14 LYS H H 14 7.590 7.590 7.513 0.077 25421
2936 1 17 . 1 1 15 15 ASN N N 15 118.663 118.663 116.548 2.115 25421
2937 1 17 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.486 0.191 25421
2938 1 17 . 1 1 15 15 ASN C C 15 175.372 175.372 175.261 0.111 25421
2939 1 17 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.724 -0.102 25421
2940 1 17 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.311 0.060 25421
2941 1 17 . 1 1 15 15 ASN H H 15 8.473 8.473 8.056 0.417 25421
2942 1 17 . 1 1 16 16 GLU N N 16 115.492 115.492 114.592 0.900 25421
2943 1 17 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.165 0.139 25421
2944 1 17 . 1 1 16 16 GLU C C 16 178.083 178.083 177.408 0.675 25421
2945 1 17 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.703 -0.281 25421
2946 1 17 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.688 2.838 25421
2947 1 17 . 1 1 16 16 GLU H H 16 8.848 8.848 8.712 0.136 25421
2948 1 17 . 1 1 17 17 CYS N N 17 117.244 117.244 117.182 0.062 25421
2949 1 17 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.174 1.002 25421
2950 1 17 . 1 1 17 17 CYS C C 17 175.716 175.716 176.080 -0.364 25421
2951 1 17 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.625 -5.095 25421
2952 1 17 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.388 12.686 25421
2953 1 17 . 1 1 17 17 CYS H H 17 8.278 8.278 8.188 0.090 25421
2954 1 17 . 1 1 18 18 CYS N N 18 121.456 121.456 120.659 0.797 25421
2955 1 17 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.501 0.065 25421
2956 1 17 . 1 1 18 18 CYS C C 18 172.720 172.720 175.399 -2.679 25421
2957 1 17 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.761 -4.425 25421
2958 1 17 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.643 12.500 25421
2959 1 17 . 1 1 18 18 CYS H H 18 9.308 9.308 8.610 0.698 25421
2960 1 17 . 1 1 19 19 SER N N 19 114.196 114.196 117.249 -3.053 25421
2961 1 17 . 1 1 19 19 SER HA H 19 4.273 4.273 4.299 -0.026 25421
2962 1 17 . 1 1 19 19 SER C C 19 175.114 175.114 175.752 -0.638 25421
2963 1 17 . 1 1 19 19 SER CA C 19 60.335 60.335 60.034 0.301 25421
2964 1 17 . 1 1 19 19 SER CB C 19 63.047 63.047 63.212 -0.165 25421
2965 1 17 . 1 1 19 19 SER H H 19 8.461 8.461 8.792 -0.331 25421
2966 1 17 . 1 1 20 20 GLY N N 20 113.736 113.736 113.765 -0.029 25421
2967 1 17 . 1 1 20 20 GLY C C 20 173.468 173.468 173.170 0.298 25421
2968 1 17 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.943 -0.361 25421
2969 1 17 . 1 1 20 20 GLY H H 20 8.836 8.836 8.636 0.200 25421
2970 1 17 . 1 1 21 21 TYR N N 21 118.820 118.820 119.123 -0.303 25421
2971 1 17 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.081 0.188 25421
2972 1 17 . 1 1 21 21 TYR C C 21 174.011 174.011 174.213 -0.202 25421
2973 1 17 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.198 -0.143 25421
2974 1 17 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.300 0.359 25421
2975 1 17 . 1 1 21 21 TYR H H 21 8.276 8.276 7.559 0.717 25421
2976 1 17 . 1 1 22 22 ALA N N 22 120.868 120.868 123.527 -2.659 25421
2977 1 17 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.746 -0.093 25421
2978 1 17 . 1 1 22 22 ALA C C 22 176.439 176.439 175.265 1.174 25421
2979 1 17 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.541 0.430 25421
2980 1 17 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.645 1.461 25421
2981 1 17 . 1 1 22 22 ALA H H 22 9.357 9.357 8.378 0.979 25421
2982 1 17 . 1 1 23 23 CYS N N 23 122.679 122.679 118.075 4.604 25421
2983 1 17 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.107 -0.542 25421
2984 1 17 . 1 1 23 23 CYS C C 23 174.530 174.530 174.828 -0.298 25421
2985 1 17 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.216 -2.512 25421
2986 1 17 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.389 12.451 25421
2987 1 17 . 1 1 23 23 CYS H H 23 8.917 8.917 8.414 0.503 25421
2988 1 17 . 1 1 24 24 SER N N 24 123.845 123.845 120.641 3.204 25421
2989 1 17 . 1 1 24 24 SER HA H 24 4.455 4.455 4.878 -0.423 25421
2990 1 17 . 1 1 24 24 SER C C 24 175.964 175.964 174.585 1.379 25421
2991 1 17 . 1 1 24 24 SER CA C 24 57.449 57.449 57.139 0.310 25421
2992 1 17 . 1 1 24 24 SER CB C 24 63.616 63.616 64.507 -0.891 25421
2993 1 17 . 1 1 24 24 SER H H 24 8.057 8.057 8.727 -0.670 25421
2994 1 17 . 1 1 25 25 SER N N 25 124.964 124.964 123.531 1.433 25421
2995 1 17 . 1 1 25 25 SER HA H 25 3.977 3.977 4.191 -0.214 25421
2996 1 17 . 1 1 25 25 SER C C 25 174.925 174.925 175.597 -0.672 25421
2997 1 17 . 1 1 25 25 SER CA C 25 61.411 61.411 59.740 1.671 25421
2998 1 17 . 1 1 25 25 SER CB C 25 62.650 62.650 63.276 -0.625 25421
2999 1 17 . 1 1 25 25 SER H H 25 9.029 9.029 8.961 0.068 25421
3000 1 17 . 1 1 26 26 ARG N N 26 119.221 119.221 120.032 -0.811 25421
3001 1 17 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.030 0.095 25421
3002 1 17 . 1 1 26 26 ARG C C 26 177.031 177.031 176.825 0.206 25421
3003 1 17 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.203 -0.268 25421
3004 1 17 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.200 0.920 25421
3005 1 17 . 1 1 26 26 ARG H H 26 7.880 7.880 8.196 -0.316 25421
3006 1 17 . 1 1 27 27 ASP N N 27 115.090 115.090 114.790 0.300 25421
3007 1 17 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.328 -0.055 25421
3008 1 17 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.014 1.543 25421
3009 1 17 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.787 0.168 25421
3010 1 17 . 1 1 27 27 ASP H H 27 7.396 7.396 7.527 -0.131 25421
3011 1 17 . 1 1 28 28 LYS N N 28 114.145 114.145 116.987 -2.842 25421
3012 1 17 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.961 -0.119 25421
3013 1 17 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.356 0.130 25421
3014 1 17 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.002 -1.935 25421
3015 1 17 . 1 1 28 28 LYS H H 28 8.096 8.096 7.875 0.221 25421
3016 1 17 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.245 0.151 25421
3017 1 17 . 1 1 29 29 TRP C C 29 177.187 177.187 174.876 2.311 25421
3018 1 17 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.209 2.495 25421
3019 1 17 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.910 1.369 25421
3020 1 17 . 1 1 30 30 CYS N N 30 119.238 119.238 118.990 0.248 25421
3021 1 17 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.177 -0.281 25421
3022 1 17 . 1 1 30 30 CYS C C 30 174.364 174.364 174.695 -0.331 25421
3023 1 17 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.243 -2.657 25421
3024 1 17 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.641 10.565 25421
3025 1 17 . 1 1 30 30 CYS H H 30 8.447 8.447 8.091 0.356 25421
3026 1 17 . 1 1 31 31 LYS N N 31 124.793 124.793 119.733 5.060 25421
3027 1 17 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.915 0.126 25421
3028 1 17 . 1 1 31 31 LYS C C 31 175.662 175.662 174.742 0.920 25421
3029 1 17 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.671 0.505 25421
3030 1 17 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.022 -0.147 25421
3031 1 17 . 1 1 31 31 LYS H H 31 9.191 9.191 8.737 0.454 25421
3032 1 17 . 1 1 32 32 VAL N N 32 121.483 121.483 121.862 -0.379 25421
3033 1 17 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.917 -0.096 25421
3034 1 17 . 1 1 32 32 VAL C C 32 175.973 175.973 174.619 1.354 25421
3035 1 17 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.162 3.911 25421
3036 1 17 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.972 -1.604 25421
3037 1 17 . 1 1 32 32 VAL H H 32 8.424 8.424 8.511 -0.087 25421
3038 1 17 . 1 1 33 33 LEU N N 33 128.865 128.865 129.340 -0.475 25421
3039 1 17 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.298 0.009 25421
3040 1 17 . 1 1 33 33 LEU C C 33 175.217 175.217 176.833 -1.616 25421
3041 1 17 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.525 -0.210 25421
3042 1 17 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.885 0.704 25421
3043 1 17 . 1 1 33 33 LEU H H 33 8.045 8.045 8.206 -0.161 25421
3044 1 18 . 1 1 2 2 GLU N N 2 120.667 120.667 119.394 1.273 25421
3045 1 18 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.733 -0.307 25421
3046 1 18 . 1 1 2 2 GLU C C 2 175.960 175.960 175.751 0.209 25421
3047 1 18 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.846 0.228 25421
3048 1 18 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.245 -0.806 25421
3049 1 18 . 1 1 2 2 GLU H H 2 8.716 8.716 8.565 0.151 25421
3050 1 18 . 1 1 3 3 CYS N N 3 119.340 119.340 118.539 0.801 25421
3051 1 18 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.747 0.075 25421
3052 1 18 . 1 1 3 3 CYS C C 3 173.426 173.426 175.197 -1.771 25421
3053 1 18 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.906 -2.206 25421
3054 1 18 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.079 13.537 25421
3055 1 18 . 1 1 3 3 CYS H H 3 8.457 8.457 8.510 -0.053 25421
3056 1 18 . 1 1 4 4 LYS N N 4 121.064 121.064 122.247 -1.183 25421
3057 1 18 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.138 0.188 25421
3058 1 18 . 1 1 4 4 LYS C C 4 174.620 174.620 177.118 -2.498 25421
3059 1 18 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.805 -1.202 25421
3060 1 18 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.980 1.331 25421
3061 1 18 . 1 1 4 4 LYS H H 4 8.763 8.763 8.282 0.481 25421
3062 1 18 . 1 1 5 5 GLY N N 5 109.502 109.502 107.197 2.305 25421
3063 1 18 . 1 1 5 5 GLY C C 5 171.833 171.833 173.238 -1.405 25421
3064 1 18 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.077 -2.435 25421
3065 1 18 . 1 1 5 5 GLY H H 5 7.983 7.983 8.042 -0.059 25421
3066 1 18 . 1 1 6 6 PHE N N 6 117.331 117.331 118.835 -1.504 25421
3067 1 18 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.946 -1.320 25421
3068 1 18 . 1 1 6 6 PHE C C 6 176.435 176.435 175.136 1.299 25421
3069 1 18 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.099 -0.186 25421
3070 1 18 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.294 -2.211 25421
3071 1 18 . 1 1 6 6 PHE H H 6 7.581 7.581 8.142 -0.561 25421
3072 1 18 . 1 1 7 7 TRP N N 7 123.869 123.869 117.570 6.299 25421
3073 1 18 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.537 -0.949 25421
3074 1 18 . 1 1 7 7 TRP C C 7 175.204 175.204 175.536 -0.332 25421
3075 1 18 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.105 2.415 25421
3076 1 18 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.761 -0.474 25421
3077 1 18 . 1 1 7 7 TRP H H 7 8.997 8.997 7.970 1.027 25421
3078 1 18 . 1 1 8 8 LYS N N 8 118.614 118.614 121.491 -2.877 25421
3079 1 18 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.727 0.783 25421
3080 1 18 . 1 1 8 8 LYS C C 8 176.595 176.595 175.999 0.596 25421
3081 1 18 . 1 1 8 8 LYS CA C 8 53.984 53.984 55.779 -1.795 25421
3082 1 18 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.633 0.163 25421
3083 1 18 . 1 1 8 8 LYS H H 8 7.719 7.719 7.445 0.274 25421
3084 1 18 . 1 1 9 9 SER N N 9 116.747 116.747 112.221 4.526 25421
3085 1 18 . 1 1 9 9 SER HA H 9 4.808 4.808 4.883 -0.075 25421
3086 1 18 . 1 1 9 9 SER C C 9 172.976 172.976 174.145 -1.169 25421
3087 1 18 . 1 1 9 9 SER CA C 9 59.175 59.175 57.120 2.055 25421
3088 1 18 . 1 1 9 9 SER CB C 9 63.827 63.827 63.548 0.279 25421
3089 1 18 . 1 1 9 9 SER H H 9 8.430 8.430 8.098 0.332 25421
3090 1 18 . 1 1 10 10 CYS N N 10 118.508 118.508 121.231 -2.723 25421
3091 1 18 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.896 0.082 25421
3092 1 18 . 1 1 10 10 CYS C C 10 172.556 172.556 173.569 -1.013 25421
3093 1 18 . 1 1 10 10 CYS CA C 10 53.278 53.278 57.043 -3.765 25421
3094 1 18 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.286 15.474 25421
3095 1 18 . 1 1 10 10 CYS H H 10 8.142 8.142 8.006 0.136 25421
3096 1 18 . 1 1 11 11 VAL N N 11 122.963 122.963 116.183 6.780 25421
3097 1 18 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.546 -0.211 25421
3098 1 18 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.378 0.946 25421
3099 1 18 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.601 0.322 25421
3100 1 18 . 1 1 11 11 VAL H H 11 8.835 8.835 8.130 0.705 25421
3101 1 18 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.329 -0.386 25421
3102 1 18 . 1 1 12 12 PRO C C 12 176.806 176.806 177.767 -0.961 25421
3103 1 18 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.749 0.580 25421
3104 1 18 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.226 0.563 25421
3105 1 18 . 1 1 13 13 GLY N N 13 111.847 111.847 113.918 -2.071 25421
3106 1 18 . 1 1 13 13 GLY C C 13 174.856 174.856 175.151 -0.295 25421
3107 1 18 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.301 -0.005 25421
3108 1 18 . 1 1 13 13 GLY H H 13 8.826 8.826 8.695 0.131 25421
3109 1 18 . 1 1 14 14 LYS N N 14 117.957 117.957 120.946 -2.989 25421
3110 1 18 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.325 0.158 25421
3111 1 18 . 1 1 14 14 LYS C C 14 175.718 175.718 176.737 -1.019 25421
3112 1 18 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.820 -1.407 25421
3113 1 18 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.571 -0.718 25421
3114 1 18 . 1 1 14 14 LYS H H 14 7.590 7.590 7.606 -0.016 25421
3115 1 18 . 1 1 15 15 ASN N N 15 118.663 118.663 115.741 2.922 25421
3116 1 18 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.475 0.202 25421
3117 1 18 . 1 1 15 15 ASN C C 15 175.372 175.372 175.165 0.207 25421
3118 1 18 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.858 -0.236 25421
3119 1 18 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.531 0.840 25421
3120 1 18 . 1 1 15 15 ASN H H 15 8.473 8.473 8.039 0.434 25421
3121 1 18 . 1 1 16 16 GLU N N 16 115.492 115.492 115.752 -0.260 25421
3122 1 18 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.125 0.179 25421
3123 1 18 . 1 1 16 16 GLU C C 16 178.083 178.083 177.457 0.626 25421
3124 1 18 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.256 -0.834 25421
3125 1 18 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.113 2.413 25421
3126 1 18 . 1 1 16 16 GLU H H 16 8.848 8.848 8.687 0.161 25421
3127 1 18 . 1 1 17 17 CYS N N 17 117.244 117.244 117.278 -0.034 25421
3128 1 18 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.114 1.062 25421
3129 1 18 . 1 1 17 17 CYS C C 17 175.716 175.716 175.992 -0.276 25421
3130 1 18 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.254 -4.724 25421
3131 1 18 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.127 12.947 25421
3132 1 18 . 1 1 17 17 CYS H H 17 8.278 8.278 8.168 0.110 25421
3133 1 18 . 1 1 18 18 CYS N N 18 121.456 121.456 123.079 -1.623 25421
3134 1 18 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.372 0.194 25421
3135 1 18 . 1 1 18 18 CYS C C 18 172.720 172.720 175.978 -3.258 25421
3136 1 18 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.122 -4.786 25421
3137 1 18 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.487 13.656 25421
3138 1 18 . 1 1 18 18 CYS H H 18 9.308 9.308 8.519 0.789 25421
3139 1 18 . 1 1 19 19 SER N N 19 114.196 114.196 117.368 -3.172 25421
3140 1 18 . 1 1 19 19 SER HA H 19 4.273 4.273 4.273 -0.000 25421
3141 1 18 . 1 1 19 19 SER C C 19 175.114 175.114 175.794 -0.680 25421
3142 1 18 . 1 1 19 19 SER CA C 19 60.335 60.335 60.379 -0.044 25421
3143 1 18 . 1 1 19 19 SER CB C 19 63.047 63.047 63.472 -0.425 25421
3144 1 18 . 1 1 19 19 SER H H 19 8.461 8.461 8.586 -0.125 25421
3145 1 18 . 1 1 20 20 GLY N N 20 113.736 113.736 113.491 0.245 25421
3146 1 18 . 1 1 20 20 GLY C C 20 173.468 173.468 174.127 -0.659 25421
3147 1 18 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.829 -0.247 25421
3148 1 18 . 1 1 20 20 GLY H H 20 8.836 8.836 8.674 0.162 25421
3149 1 18 . 1 1 21 21 TYR N N 21 118.820 118.820 121.212 -2.392 25421
3150 1 18 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.850 0.419 25421
3151 1 18 . 1 1 21 21 TYR C C 21 174.011 174.011 174.676 -0.665 25421
3152 1 18 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.384 -1.329 25421
3153 1 18 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.520 2.139 25421
3154 1 18 . 1 1 21 21 TYR H H 21 8.276 8.276 8.004 0.272 25421
3155 1 18 . 1 1 22 22 ALA N N 22 120.868 120.868 124.336 -3.468 25421
3156 1 18 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.641 0.012 25421
3157 1 18 . 1 1 22 22 ALA C C 22 176.439 176.439 175.026 1.413 25421
3158 1 18 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.789 0.182 25421
3159 1 18 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.121 0.985 25421
3160 1 18 . 1 1 22 22 ALA H H 22 9.357 9.357 8.357 1.000 25421
3161 1 18 . 1 1 23 23 CYS N N 23 122.679 122.679 117.969 4.710 25421
3162 1 18 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.153 -0.588 25421
3163 1 18 . 1 1 23 23 CYS C C 23 174.530 174.530 174.852 -0.322 25421
3164 1 18 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.329 -2.625 25421
3165 1 18 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.491 12.349 25421
3166 1 18 . 1 1 23 23 CYS H H 23 8.917 8.917 8.785 0.132 25421
3167 1 18 . 1 1 24 24 SER N N 24 123.845 123.845 120.656 3.189 25421
3168 1 18 . 1 1 24 24 SER HA H 24 4.455 4.455 4.974 -0.519 25421
3169 1 18 . 1 1 24 24 SER C C 24 175.964 175.964 174.908 1.056 25421
3170 1 18 . 1 1 24 24 SER CA C 24 57.449 57.449 57.047 0.402 25421
3171 1 18 . 1 1 24 24 SER CB C 24 63.616 63.616 64.504 -0.888 25421
3172 1 18 . 1 1 24 24 SER H H 24 8.057 8.057 8.650 -0.593 25421
3173 1 18 . 1 1 25 25 SER N N 25 124.964 124.964 123.739 1.225 25421
3174 1 18 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.257 25421
3175 1 18 . 1 1 25 25 SER C C 25 174.925 174.925 175.495 -0.570 25421
3176 1 18 . 1 1 25 25 SER CA C 25 61.411 61.411 59.830 1.581 25421
3177 1 18 . 1 1 25 25 SER CB C 25 62.650 62.650 63.500 -0.850 25421
3178 1 18 . 1 1 25 25 SER H H 25 9.029 9.029 9.008 0.021 25421
3179 1 18 . 1 1 26 26 ARG N N 26 119.221 119.221 119.963 -0.742 25421
3180 1 18 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.056 0.069 25421
3181 1 18 . 1 1 26 26 ARG C C 26 177.031 177.031 176.544 0.487 25421
3182 1 18 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.416 -0.481 25421
3183 1 18 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.177 0.943 25421
3184 1 18 . 1 1 26 26 ARG H H 26 7.880 7.880 8.200 -0.320 25421
3185 1 18 . 1 1 27 27 ASP N N 27 115.090 115.090 114.866 0.224 25421
3186 1 18 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.321 -0.048 25421
3187 1 18 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.377 1.180 25421
3188 1 18 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.056 -0.101 25421
3189 1 18 . 1 1 27 27 ASP H H 27 7.396 7.396 7.497 -0.101 25421
3190 1 18 . 1 1 28 28 LYS N N 28 114.145 114.145 117.065 -2.920 25421
3191 1 18 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.920 -0.078 25421
3192 1 18 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.302 0.184 25421
3193 1 18 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.060 -1.994 25421
3194 1 18 . 1 1 28 28 LYS H H 28 8.096 8.096 7.927 0.169 25421
3195 1 18 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.465 -0.068 25421
3196 1 18 . 1 1 29 29 TRP C C 29 177.187 177.187 175.063 2.124 25421
3197 1 18 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.213 2.491 25421
3198 1 18 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.052 1.228 25421
3199 1 18 . 1 1 30 30 CYS N N 30 119.238 119.238 119.067 0.171 25421
3200 1 18 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.209 -0.313 25421
3201 1 18 . 1 1 30 30 CYS C C 30 174.364 174.364 174.830 -0.466 25421
3202 1 18 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.177 -2.591 25421
3203 1 18 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.779 10.427 25421
3204 1 18 . 1 1 30 30 CYS H H 30 8.447 8.447 8.224 0.223 25421
3205 1 18 . 1 1 31 31 LYS N N 31 124.793 124.793 120.584 4.209 25421
3206 1 18 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.937 0.104 25421
3207 1 18 . 1 1 31 31 LYS C C 31 175.662 175.662 174.839 0.823 25421
3208 1 18 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.226 0.950 25421
3209 1 18 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.029 -0.154 25421
3210 1 18 . 1 1 31 31 LYS H H 31 9.191 9.191 8.822 0.369 25421
3211 1 18 . 1 1 32 32 VAL N N 32 121.483 121.483 122.132 -0.649 25421
3212 1 18 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.873 -0.052 25421
3213 1 18 . 1 1 32 32 VAL C C 32 175.973 175.973 174.418 1.555 25421
3214 1 18 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.809 4.264 25421
3215 1 18 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.629 -1.261 25421
3216 1 18 . 1 1 32 32 VAL H H 32 8.424 8.424 8.596 -0.172 25421
3217 1 18 . 1 1 33 33 LEU N N 33 128.865 128.865 129.616 -0.751 25421
3218 1 18 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.280 0.027 25421
3219 1 18 . 1 1 33 33 LEU C C 33 175.217 175.217 177.055 -1.838 25421
3220 1 18 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.708 0.607 25421
3221 1 18 . 1 1 33 33 LEU CB C 33 42.589 42.589 40.833 1.756 25421
3222 1 18 . 1 1 33 33 LEU H H 33 8.045 8.045 8.390 -0.345 25421
3223 1 19 . 1 1 2 2 GLU N N 2 120.667 120.667 120.014 0.653 25421
3224 1 19 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.498 -0.072 25421
3225 1 19 . 1 1 2 2 GLU C C 2 175.960 175.960 175.978 -0.018 25421
3226 1 19 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.367 -0.294 25421
3227 1 19 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.573 -0.134 25421
3228 1 19 . 1 1 2 2 GLU H H 2 8.716 8.716 8.696 0.020 25421
3229 1 19 . 1 1 3 3 CYS N N 3 119.340 119.340 117.405 1.935 25421
3230 1 19 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.704 0.118 25421
3231 1 19 . 1 1 3 3 CYS C C 3 173.426 173.426 174.432 -1.006 25421
3232 1 19 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.556 -1.856 25421
3233 1 19 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.145 12.472 25421
3234 1 19 . 1 1 3 3 CYS H H 3 8.457 8.457 8.441 0.016 25421
3235 1 19 . 1 1 4 4 LYS N N 4 121.064 121.064 122.852 -1.788 25421
3236 1 19 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.211 0.115 25421
3237 1 19 . 1 1 4 4 LYS C C 4 174.620 174.620 177.075 -2.455 25421
3238 1 19 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.743 -1.140 25421
3239 1 19 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.995 1.315 25421
3240 1 19 . 1 1 4 4 LYS H H 4 8.763 8.763 8.382 0.381 25421
3241 1 19 . 1 1 5 5 GLY N N 5 109.502 109.502 107.421 2.081 25421
3242 1 19 . 1 1 5 5 GLY C C 5 171.833 171.833 173.558 -1.725 25421
3243 1 19 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.217 -2.575 25421
3244 1 19 . 1 1 5 5 GLY H H 5 7.983 7.983 8.111 -0.128 25421
3245 1 19 . 1 1 6 6 PHE N N 6 117.331 117.331 119.366 -2.035 25421
3246 1 19 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.839 -1.213 25421
3247 1 19 . 1 1 6 6 PHE C C 6 176.435 176.435 174.759 1.676 25421
3248 1 19 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.990 -0.077 25421
3249 1 19 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.721 -1.638 25421
3250 1 19 . 1 1 6 6 PHE H H 6 7.581 7.581 7.620 -0.039 25421
3251 1 19 . 1 1 7 7 TRP N N 7 123.869 123.869 117.303 6.566 25421
3252 1 19 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.514 -0.926 25421
3253 1 19 . 1 1 7 7 TRP C C 7 175.204 175.204 175.676 -0.472 25421
3254 1 19 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.243 3.277 25421
3255 1 19 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.587 -0.300 25421
3256 1 19 . 1 1 7 7 TRP H H 7 8.997 8.997 7.143 1.854 25421
3257 1 19 . 1 1 8 8 LYS N N 8 118.614 118.614 121.635 -3.021 25421
3258 1 19 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.446 0.065 25421
3259 1 19 . 1 1 8 8 LYS C C 8 176.595 176.595 176.183 0.412 25421
3260 1 19 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.203 -2.219 25421
3261 1 19 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.970 -0.174 25421
3262 1 19 . 1 1 8 8 LYS H H 8 7.719 7.719 7.429 0.290 25421
3263 1 19 . 1 1 9 9 SER N N 9 116.747 116.747 114.166 2.581 25421
3264 1 19 . 1 1 9 9 SER HA H 9 4.808 4.808 4.969 -0.161 25421
3265 1 19 . 1 1 9 9 SER C C 9 172.976 172.976 173.308 -0.332 25421
3266 1 19 . 1 1 9 9 SER CA C 9 59.175 59.175 57.373 1.802 25421
3267 1 19 . 1 1 9 9 SER CB C 9 63.827 63.827 63.961 -0.134 25421
3268 1 19 . 1 1 9 9 SER H H 9 8.430 8.430 8.352 0.078 25421
3269 1 19 . 1 1 10 10 CYS N N 10 118.508 118.508 121.117 -2.609 25421
3270 1 19 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.012 -0.034 25421
3271 1 19 . 1 1 10 10 CYS C C 10 172.556 172.556 173.228 -0.672 25421
3272 1 19 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.800 -3.522 25421
3273 1 19 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.558 16.201 25421
3274 1 19 . 1 1 10 10 CYS H H 10 8.142 8.142 8.216 -0.074 25421
3275 1 19 . 1 1 11 11 VAL N N 11 122.963 122.963 116.479 6.484 25421
3276 1 19 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.564 -0.229 25421
3277 1 19 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.611 0.713 25421
3278 1 19 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.052 -0.129 25421
3279 1 19 . 1 1 11 11 VAL H H 11 8.835 8.835 8.189 0.646 25421
3280 1 19 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.341 -0.398 25421
3281 1 19 . 1 1 12 12 PRO C C 12 176.806 176.806 177.836 -1.030 25421
3282 1 19 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.714 0.615 25421
3283 1 19 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.481 0.308 25421
3284 1 19 . 1 1 13 13 GLY N N 13 111.847 111.847 114.173 -2.326 25421
3285 1 19 . 1 1 13 13 GLY C C 13 174.856 174.856 175.104 -0.248 25421
3286 1 19 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.213 0.083 25421
3287 1 19 . 1 1 13 13 GLY H H 13 8.826 8.826 8.664 0.162 25421
3288 1 19 . 1 1 14 14 LYS N N 14 117.957 117.957 120.814 -2.857 25421
3289 1 19 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.232 0.251 25421
3290 1 19 . 1 1 14 14 LYS C C 14 175.718 175.718 176.978 -1.260 25421
3291 1 19 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.840 -1.427 25421
3292 1 19 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.381 -0.528 25421
3293 1 19 . 1 1 14 14 LYS H H 14 7.590 7.590 7.467 0.123 25421
3294 1 19 . 1 1 15 15 ASN N N 15 118.663 118.663 115.990 2.673 25421
3295 1 19 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.484 0.193 25421
3296 1 19 . 1 1 15 15 ASN C C 15 175.372 175.372 175.175 0.197 25421
3297 1 19 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.730 -0.108 25421
3298 1 19 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.952 0.419 25421
3299 1 19 . 1 1 15 15 ASN H H 15 8.473 8.473 8.040 0.433 25421
3300 1 19 . 1 1 16 16 GLU N N 16 115.492 115.492 115.621 -0.129 25421
3301 1 19 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.139 0.165 25421
3302 1 19 . 1 1 16 16 GLU C C 16 178.083 178.083 177.439 0.644 25421
3303 1 19 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.188 -0.766 25421
3304 1 19 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.144 2.382 25421
3305 1 19 . 1 1 16 16 GLU H H 16 8.848 8.848 8.744 0.104 25421
3306 1 19 . 1 1 17 17 CYS N N 17 117.244 117.244 117.409 -0.165 25421
3307 1 19 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.101 1.075 25421
3308 1 19 . 1 1 17 17 CYS C C 17 175.716 175.716 175.919 -0.203 25421
3309 1 19 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.408 -4.878 25421
3310 1 19 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.198 12.876 25421
3311 1 19 . 1 1 17 17 CYS H H 17 8.278 8.278 8.236 0.042 25421
3312 1 19 . 1 1 18 18 CYS N N 18 121.456 121.456 121.865 -0.409 25421
3313 1 19 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.410 0.156 25421
3314 1 19 . 1 1 18 18 CYS C C 18 172.720 172.720 175.883 -3.163 25421
3315 1 19 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.054 -4.718 25421
3316 1 19 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.903 13.240 25421
3317 1 19 . 1 1 18 18 CYS H H 18 9.308 9.308 8.401 0.907 25421
3318 1 19 . 1 1 19 19 SER N N 19 114.196 114.196 118.351 -4.155 25421
3319 1 19 . 1 1 19 19 SER HA H 19 4.273 4.273 4.239 0.034 25421
3320 1 19 . 1 1 19 19 SER C C 19 175.114 175.114 175.717 -0.603 25421
3321 1 19 . 1 1 19 19 SER CA C 19 60.335 60.335 60.139 0.196 25421
3322 1 19 . 1 1 19 19 SER CB C 19 63.047 63.047 63.443 -0.396 25421
3323 1 19 . 1 1 19 19 SER H H 19 8.461 8.461 8.756 -0.295 25421
3324 1 19 . 1 1 20 20 GLY N N 20 113.736 113.736 113.537 0.199 25421
3325 1 19 . 1 1 20 20 GLY C C 20 173.468 173.468 174.077 -0.609 25421
3326 1 19 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.781 -0.199 25421
3327 1 19 . 1 1 20 20 GLY H H 20 8.836 8.836 8.660 0.176 25421
3328 1 19 . 1 1 21 21 TYR N N 21 118.820 118.820 121.334 -2.514 25421
3329 1 19 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.819 0.450 25421
3330 1 19 . 1 1 21 21 TYR C C 21 174.011 174.011 174.649 -0.638 25421
3331 1 19 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.441 -1.386 25421
3332 1 19 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.451 2.208 25421
3333 1 19 . 1 1 21 21 TYR H H 21 8.276 8.276 7.962 0.314 25421
3334 1 19 . 1 1 22 22 ALA N N 22 120.868 120.868 124.259 -3.391 25421
3335 1 19 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.685 -0.032 25421
3336 1 19 . 1 1 22 22 ALA C C 22 176.439 176.439 175.081 1.358 25421
3337 1 19 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.331 0.640 25421
3338 1 19 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.642 1.464 25421
3339 1 19 . 1 1 22 22 ALA H H 22 9.357 9.357 8.331 1.026 25421
3340 1 19 . 1 1 23 23 CYS N N 23 122.679 122.679 118.039 4.640 25421
3341 1 19 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.105 -0.540 25421
3342 1 19 . 1 1 23 23 CYS C C 23 174.530 174.530 174.835 -0.305 25421
3343 1 19 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.252 -2.548 25421
3344 1 19 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.451 12.389 25421
3345 1 19 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421
3346 1 19 . 1 1 24 24 SER N N 24 123.845 123.845 120.665 3.180 25421
3347 1 19 . 1 1 24 24 SER HA H 24 4.455 4.455 4.997 -0.542 25421
3348 1 19 . 1 1 24 24 SER C C 24 175.964 175.964 175.050 0.914 25421
3349 1 19 . 1 1 24 24 SER CA C 24 57.449 57.449 57.000 0.449 25421
3350 1 19 . 1 1 24 24 SER CB C 24 63.616 63.616 64.387 -0.771 25421
3351 1 19 . 1 1 24 24 SER H H 24 8.057 8.057 8.733 -0.676 25421
3352 1 19 . 1 1 25 25 SER N N 25 124.964 124.964 124.132 0.832 25421
3353 1 19 . 1 1 25 25 SER HA H 25 3.977 3.977 4.277 -0.300 25421
3354 1 19 . 1 1 25 25 SER C C 25 174.925 174.925 175.387 -0.462 25421
3355 1 19 . 1 1 25 25 SER CA C 25 61.411 61.411 59.765 1.646 25421
3356 1 19 . 1 1 25 25 SER CB C 25 62.650 62.650 63.391 -0.741 25421
3357 1 19 . 1 1 25 25 SER H H 25 9.029 9.029 8.954 0.075 25421
3358 1 19 . 1 1 26 26 ARG N N 26 119.221 119.221 120.605 -1.384 25421
3359 1 19 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.087 0.038 25421
3360 1 19 . 1 1 26 26 ARG C C 26 177.031 177.031 176.490 0.541 25421
3361 1 19 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.269 -0.334 25421
3362 1 19 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.894 1.226 25421
3363 1 19 . 1 1 26 26 ARG H H 26 7.880 7.880 8.272 -0.392 25421
3364 1 19 . 1 1 27 27 ASP N N 27 115.090 115.090 114.364 0.726 25421
3365 1 19 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.347 -0.074 25421
3366 1 19 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.044 1.513 25421
3367 1 19 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.823 0.132 25421
3368 1 19 . 1 1 27 27 ASP H H 27 7.396 7.396 7.521 -0.125 25421
3369 1 19 . 1 1 28 28 LYS N N 28 114.145 114.145 118.004 -3.859 25421
3370 1 19 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.004 -0.162 25421
3371 1 19 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.431 0.055 25421
3372 1 19 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.939 -1.873 25421
3373 1 19 . 1 1 28 28 LYS H H 28 8.096 8.096 8.021 0.075 25421
3374 1 19 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.360 0.037 25421
3375 1 19 . 1 1 29 29 TRP C C 29 177.187 177.187 174.806 2.381 25421
3376 1 19 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.227 2.477 25421
3377 1 19 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.026 1.253 25421
3378 1 19 . 1 1 30 30 CYS N N 30 119.238 119.238 119.056 0.182 25421
3379 1 19 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.196 -0.300 25421
3380 1 19 . 1 1 30 30 CYS C C 30 174.364 174.364 174.668 -0.304 25421
3381 1 19 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.206 -2.620 25421
3382 1 19 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.711 10.495 25421
3383 1 19 . 1 1 30 30 CYS H H 30 8.447 8.447 8.185 0.262 25421
3384 1 19 . 1 1 31 31 LYS N N 31 124.793 124.793 119.817 4.976 25421
3385 1 19 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.927 0.114 25421
3386 1 19 . 1 1 31 31 LYS C C 31 175.662 175.662 174.763 0.899 25421
3387 1 19 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.565 0.611 25421
3388 1 19 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.981 -0.106 25421
3389 1 19 . 1 1 31 31 LYS H H 31 9.191 9.191 8.736 0.455 25421
3390 1 19 . 1 1 32 32 VAL N N 32 121.483 121.483 121.515 -0.032 25421
3391 1 19 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.859 -0.038 25421
3392 1 19 . 1 1 32 32 VAL C C 32 175.973 175.973 174.487 1.486 25421
3393 1 19 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.525 3.548 25421
3394 1 19 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.850 -1.482 25421
3395 1 19 . 1 1 32 32 VAL H H 32 8.424 8.424 8.462 -0.038 25421
3396 1 19 . 1 1 33 33 LEU N N 33 128.865 128.865 128.658 0.207 25421
3397 1 19 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.248 0.059 25421
3398 1 19 . 1 1 33 33 LEU C C 33 175.217 175.217 177.563 -2.346 25421
3399 1 19 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.424 -0.109 25421
3400 1 19 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.572 1.017 25421
3401 1 19 . 1 1 33 33 LEU H H 33 8.045 8.045 8.173 -0.128 25421
3402 1 20 . 1 1 2 2 GLU N N 2 120.667 120.667 121.414 -0.747 25421
3403 1 20 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.626 -0.200 25421
3404 1 20 . 1 1 2 2 GLU C C 2 175.960 175.960 175.397 0.563 25421
3405 1 20 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.063 0.010 25421
3406 1 20 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.533 -1.094 25421
3407 1 20 . 1 1 2 2 GLU H H 2 8.716 8.716 8.693 0.023 25421
3408 1 20 . 1 1 3 3 CYS N N 3 119.340 119.340 119.606 -0.266 25421
3409 1 20 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.635 0.187 25421
3410 1 20 . 1 1 3 3 CYS C C 3 173.426 173.426 175.443 -2.017 25421
3411 1 20 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.596 -1.896 25421
3412 1 20 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.060 13.556 25421
3413 1 20 . 1 1 3 3 CYS H H 3 8.457 8.457 8.455 0.002 25421
3414 1 20 . 1 1 4 4 LYS N N 4 121.064 121.064 123.186 -2.122 25421
3415 1 20 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.165 0.161 25421
3416 1 20 . 1 1 4 4 LYS C C 4 174.620 174.620 177.072 -2.452 25421
3417 1 20 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.696 -1.093 25421
3418 1 20 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.024 1.286 25421
3419 1 20 . 1 1 4 4 LYS H H 4 8.763 8.763 8.344 0.419 25421
3420 1 20 . 1 1 5 5 GLY N N 5 109.502 109.502 107.305 2.197 25421
3421 1 20 . 1 1 5 5 GLY C C 5 171.833 171.833 173.647 -1.814 25421
3422 1 20 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.225 -2.583 25421
3423 1 20 . 1 1 5 5 GLY H H 5 7.983 7.983 8.025 -0.042 25421
3424 1 20 . 1 1 6 6 PHE N N 6 117.331 117.331 119.205 -1.874 25421
3425 1 20 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.892 -1.266 25421
3426 1 20 . 1 1 6 6 PHE C C 6 176.435 176.435 174.635 1.800 25421
3427 1 20 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.975 -0.062 25421
3428 1 20 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.925 -1.842 25421
3429 1 20 . 1 1 6 6 PHE H H 6 7.581 7.581 7.553 0.028 25421
3430 1 20 . 1 1 7 7 TRP N N 7 123.869 123.869 117.133 6.736 25421
3431 1 20 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.516 -0.928 25421
3432 1 20 . 1 1 7 7 TRP C C 7 175.204 175.204 175.692 -0.488 25421
3433 1 20 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.732 2.788 25421
3434 1 20 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.811 -0.524 25421
3435 1 20 . 1 1 7 7 TRP H H 7 8.997 8.997 7.173 1.824 25421
3436 1 20 . 1 1 8 8 LYS N N 8 118.614 118.614 121.864 -3.250 25421
3437 1 20 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.301 0.209 25421
3438 1 20 . 1 1 8 8 LYS C C 8 176.595 176.595 176.193 0.402 25421
3439 1 20 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.066 -2.083 25421
3440 1 20 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.941 -0.145 25421
3441 1 20 . 1 1 8 8 LYS H H 8 7.719 7.719 7.369 0.350 25421
3442 1 20 . 1 1 9 9 SER N N 9 116.747 116.747 113.241 3.506 25421
3443 1 20 . 1 1 9 9 SER HA H 9 4.808 4.808 5.106 -0.298 25421
3444 1 20 . 1 1 9 9 SER C C 9 172.976 172.976 173.792 -0.816 25421
3445 1 20 . 1 1 9 9 SER CA C 9 59.175 59.175 56.901 2.275 25421
3446 1 20 . 1 1 9 9 SER CB C 9 63.827 63.827 64.126 -0.299 25421
3447 1 20 . 1 1 9 9 SER H H 9 8.430 8.430 8.287 0.143 25421
3448 1 20 . 1 1 10 10 CYS N N 10 118.508 118.508 119.871 -1.363 25421
3449 1 20 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.914 0.064 25421
3450 1 20 . 1 1 10 10 CYS C C 10 172.556 172.556 173.329 -0.773 25421
3451 1 20 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.942 -3.664 25421
3452 1 20 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.317 15.443 25421
3453 1 20 . 1 1 10 10 CYS H H 10 8.142 8.142 8.140 0.002 25421
3454 1 20 . 1 1 11 11 VAL N N 11 122.963 122.963 114.474 8.489 25421
3455 1 20 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.622 -0.287 25421
3456 1 20 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.390 0.934 25421
3457 1 20 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.964 -0.041 25421
3458 1 20 . 1 1 11 11 VAL H H 11 8.835 8.835 8.349 0.486 25421
3459 1 20 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.498 -0.555 25421
3460 1 20 . 1 1 12 12 PRO C C 12 176.806 176.806 177.633 -0.827 25421
3461 1 20 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.019 0.310 25421
3462 1 20 . 1 1 12 12 PRO CB C 12 31.789 31.789 32.144 -0.355 25421
3463 1 20 . 1 1 13 13 GLY N N 13 111.847 111.847 111.009 0.838 25421
3464 1 20 . 1 1 13 13 GLY C C 13 174.856 174.856 175.424 -0.568 25421
3465 1 20 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.636 -0.340 25421
3466 1 20 . 1 1 13 13 GLY H H 13 8.826 8.826 8.750 0.076 25421
3467 1 20 . 1 1 14 14 LYS N N 14 117.957 117.957 121.388 -3.431 25421
3468 1 20 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.280 0.203 25421
3469 1 20 . 1 1 14 14 LYS C C 14 175.718 175.718 177.123 -1.405 25421
3470 1 20 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.335 -0.922 25421
3471 1 20 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.032 -0.179 25421
3472 1 20 . 1 1 14 14 LYS H H 14 7.590 7.590 7.691 -0.101 25421
3473 1 20 . 1 1 15 15 ASN N N 15 118.663 118.663 116.384 2.279 25421
3474 1 20 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.454 0.223 25421
3475 1 20 . 1 1 15 15 ASN C C 15 175.372 175.372 175.088 0.284 25421
3476 1 20 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.795 -0.173 25421
3477 1 20 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.528 -0.157 25421
3478 1 20 . 1 1 15 15 ASN H H 15 8.473 8.473 7.959 0.514 25421
3479 1 20 . 1 1 16 16 GLU N N 16 115.492 115.492 116.073 -0.581 25421
3480 1 20 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.140 0.164 25421
3481 1 20 . 1 1 16 16 GLU C C 16 178.083 178.083 177.259 0.824 25421
3482 1 20 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.254 -0.832 25421
3483 1 20 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.035 2.491 25421
3484 1 20 . 1 1 16 16 GLU H H 16 8.848 8.848 8.587 0.261 25421
3485 1 20 . 1 1 17 17 CYS N N 17 117.244 117.244 117.064 0.180 25421
3486 1 20 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.114 1.062 25421
3487 1 20 . 1 1 17 17 CYS C C 17 175.716 175.716 176.005 -0.289 25421
3488 1 20 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.177 -4.647 25421
3489 1 20 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.152 12.922 25421
3490 1 20 . 1 1 17 17 CYS H H 17 8.278 8.278 8.156 0.122 25421
3491 1 20 . 1 1 18 18 CYS N N 18 121.456 121.456 121.272 0.184 25421
3492 1 20 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.427 0.139 25421
3493 1 20 . 1 1 18 18 CYS C C 18 172.720 172.720 175.775 -3.055 25421
3494 1 20 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.054 -4.718 25421
3495 1 20 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.024 13.119 25421
3496 1 20 . 1 1 18 18 CYS H H 18 9.308 9.308 8.478 0.830 25421
3497 1 20 . 1 1 19 19 SER N N 19 114.196 114.196 118.291 -4.095 25421
3498 1 20 . 1 1 19 19 SER HA H 19 4.273 4.273 4.214 0.059 25421
3499 1 20 . 1 1 19 19 SER C C 19 175.114 175.114 175.593 -0.479 25421
3500 1 20 . 1 1 19 19 SER CA C 19 60.335 60.335 59.965 0.370 25421
3501 1 20 . 1 1 19 19 SER CB C 19 63.047 63.047 63.332 -0.285 25421
3502 1 20 . 1 1 19 19 SER H H 19 8.461 8.461 8.766 -0.305 25421
3503 1 20 . 1 1 20 20 GLY N N 20 113.736 113.736 114.216 -0.480 25421
3504 1 20 . 1 1 20 20 GLY C C 20 173.468 173.468 174.041 -0.573 25421
3505 1 20 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.873 -0.291 25421
3506 1 20 . 1 1 20 20 GLY H H 20 8.836 8.836 8.865 -0.029 25421
3507 1 20 . 1 1 21 21 TYR N N 21 118.820 118.820 121.267 -2.447 25421
3508 1 20 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.873 0.396 25421
3509 1 20 . 1 1 21 21 TYR C C 21 174.011 174.011 174.609 -0.598 25421
3510 1 20 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.249 -1.194 25421
3511 1 20 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.517 2.142 25421
3512 1 20 . 1 1 21 21 TYR H H 21 8.276 8.276 8.029 0.247 25421
3513 1 20 . 1 1 22 22 ALA N N 22 120.868 120.868 124.366 -3.498 25421
3514 1 20 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.686 -0.033 25421
3515 1 20 . 1 1 22 22 ALA C C 22 176.439 176.439 175.090 1.349 25421
3516 1 20 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.316 0.655 25421
3517 1 20 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.680 1.425 25421
3518 1 20 . 1 1 22 22 ALA H H 22 9.357 9.357 8.296 1.061 25421
3519 1 20 . 1 1 23 23 CYS N N 23 122.679 122.679 118.059 4.620 25421
3520 1 20 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.151 -0.586 25421
3521 1 20 . 1 1 23 23 CYS C C 23 174.530 174.530 174.913 -0.383 25421
3522 1 20 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.200 -2.495 25421
3523 1 20 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.459 12.381 25421
3524 1 20 . 1 1 23 23 CYS H H 23 8.917 8.917 8.424 0.493 25421
3525 1 20 . 1 1 24 24 SER N N 24 123.845 123.845 120.550 3.295 25421
3526 1 20 . 1 1 24 24 SER HA H 24 4.455 4.455 4.945 -0.490 25421
3527 1 20 . 1 1 24 24 SER C C 24 175.964 175.964 174.898 1.066 25421
3528 1 20 . 1 1 24 24 SER CA C 24 57.449 57.449 57.146 0.303 25421
3529 1 20 . 1 1 24 24 SER CB C 24 63.616 63.616 64.380 -0.764 25421
3530 1 20 . 1 1 24 24 SER H H 24 8.057 8.057 8.689 -0.632 25421
3531 1 20 . 1 1 25 25 SER N N 25 124.964 124.964 122.877 2.087 25421
3532 1 20 . 1 1 25 25 SER HA H 25 3.977 3.977 4.207 -0.230 25421
3533 1 20 . 1 1 25 25 SER C C 25 174.925 174.925 176.011 -1.086 25421
3534 1 20 . 1 1 25 25 SER CA C 25 61.411 61.411 60.233 1.178 25421
3535 1 20 . 1 1 25 25 SER CB C 25 62.650 62.650 63.246 -0.596 25421
3536 1 20 . 1 1 25 25 SER H H 25 9.029 9.029 9.103 -0.074 25421
3537 1 20 . 1 1 26 26 ARG N N 26 119.221 119.221 120.221 -1.000 25421
3538 1 20 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.040 0.085 25421
3539 1 20 . 1 1 26 26 ARG C C 26 177.031 177.031 177.325 -0.294 25421
3540 1 20 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.873 -0.938 25421
3541 1 20 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.333 0.787 25421
3542 1 20 . 1 1 26 26 ARG H H 26 7.880 7.880 8.166 -0.286 25421
3543 1 20 . 1 1 27 27 ASP N N 27 115.090 115.090 115.418 -0.328 25421
3544 1 20 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.384 -0.111 25421
3545 1 20 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.983 1.574 25421
3546 1 20 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.579 0.376 25421
3547 1 20 . 1 1 27 27 ASP H H 27 7.396 7.396 7.466 -0.070 25421
3548 1 20 . 1 1 28 28 LYS N N 28 114.145 114.145 116.835 -2.690 25421
3549 1 20 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.035 -0.193 25421
3550 1 20 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.429 0.057 25421
3551 1 20 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.672 -1.607 25421
3552 1 20 . 1 1 28 28 LYS H H 28 8.096 8.096 7.967 0.129 25421
3553 1 20 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.414 -0.017 25421
3554 1 20 . 1 1 29 29 TRP C C 29 177.187 177.187 175.010 2.177 25421
3555 1 20 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.097 2.607 25421
3556 1 20 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.830 1.449 25421
3557 1 20 . 1 1 30 30 CYS N N 30 119.238 119.238 119.196 0.042 25421
3558 1 20 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.203 -0.307 25421
3559 1 20 . 1 1 30 30 CYS C C 30 174.364 174.364 174.721 -0.357 25421
3560 1 20 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.307 -2.721 25421
3561 1 20 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.554 10.652 25421
3562 1 20 . 1 1 30 30 CYS H H 30 8.447 8.447 8.234 0.213 25421
3563 1 20 . 1 1 31 31 LYS N N 31 124.793 124.793 120.137 4.656 25421
3564 1 20 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.945 0.096 25421
3565 1 20 . 1 1 31 31 LYS C C 31 175.662 175.662 174.658 1.004 25421
3566 1 20 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.421 0.755 25421
3567 1 20 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.113 -0.238 25421
3568 1 20 . 1 1 31 31 LYS H H 31 9.191 9.191 8.758 0.433 25421
3569 1 20 . 1 1 32 32 VAL N N 32 121.483 121.483 121.931 -0.448 25421
3570 1 20 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.937 -0.116 25421
3571 1 20 . 1 1 32 32 VAL C C 32 175.973 175.973 174.422 1.551 25421
3572 1 20 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.773 4.300 25421
3573 1 20 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.948 -1.580 25421
3574 1 20 . 1 1 32 32 VAL H H 32 8.424 8.424 8.495 -0.071 25421
3575 1 20 . 1 1 33 33 LEU N N 33 128.865 128.865 129.189 -0.324 25421
3576 1 20 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.243 0.064 25421
3577 1 20 . 1 1 33 33 LEU C C 33 175.217 175.217 177.370 -2.153 25421
3578 1 20 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.103 0.212 25421
3579 1 20 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.382 1.207 25421
3580 1 20 . 1 1 33 33 LEU H H 33 8.045 8.045 8.336 -0.291 25421
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 30 3.067 -0.466 3.084 25421
2 1 1 "Average Difference" HA 35 0.406 0.023 0.412 25421
3 1 1 "Average Difference" C 29 1.236 0.314 1.217 25421
4 1 1 "Average Difference" CA 32 2.042 0.378 2.039 25421
5 1 1 "Average Difference" CB 29 5.998 -2.807 5.395 25421
6 1 1 "Average Difference" HN 30 0.518 -0.230 0.472 25421
7 1 2 "Average Difference" N 30 2.536 -0.170 2.574 25421
8 1 2 "Average Difference" HA 35 0.407 0.038 0.411 25421
9 1 2 "Average Difference" C 29 1.270 0.322 1.250 25421
10 1 2 "Average Difference" CA 32 2.067 0.463 2.046 25421
11 1 2 "Average Difference" CB 29 6.209 -2.788 5.646 25421
12 1 2 "Average Difference" HN 30 0.417 -0.156 0.393 25421
13 1 3 "Average Difference" N 30 2.945 -0.373 2.971 25421
14 1 3 "Average Difference" HA 35 0.417 0.043 0.420 25421
15 1 3 "Average Difference" C 29 1.208 0.260 1.200 25421
16 1 3 "Average Difference" CA 32 1.988 0.372 1.984 25421
17 1 3 "Average Difference" CB 29 5.987 -2.759 5.407 25421
18 1 3 "Average Difference" HN 30 0.489 -0.206 0.451 25421
19 1 4 "Average Difference" N 30 2.766 -0.388 2.785 25421
20 1 4 "Average Difference" HA 35 0.408 0.055 0.410 25421
21 1 4 "Average Difference" C 29 1.256 0.279 1.246 25421
22 1 4 "Average Difference" CA 32 2.037 0.450 2.018 25421
23 1 4 "Average Difference" CB 29 5.988 -2.735 5.421 25421
24 1 4 "Average Difference" HN 30 0.433 -0.161 0.409 25421
25 1 5 "Average Difference" N 30 3.032 -0.423 3.054 25421
26 1 5 "Average Difference" HA 35 0.439 0.044 0.444 25421
27 1 5 "Average Difference" C 29 1.207 0.226 1.207 25421
28 1 5 "Average Difference" CA 32 2.019 0.371 2.016 25421
29 1 5 "Average Difference" CB 29 5.991 -2.734 5.425 25421
30 1 5 "Average Difference" HN 30 0.467 -0.205 0.427 25421
31 1 6 "Average Difference" N 30 2.799 -0.178 2.841 25421
32 1 6 "Average Difference" HA 35 0.399 0.033 0.403 25421
33 1 6 "Average Difference" C 29 1.221 0.230 1.220 25421
34 1 6 "Average Difference" CA 32 2.015 0.467 1.991 25421
35 1 6 "Average Difference" CB 29 6.072 -2.764 5.502 25421
36 1 6 "Average Difference" HN 30 0.417 -0.162 0.390 25421
37 1 7 "Average Difference" N 30 2.664 -0.096 2.708 25421
38 1 7 "Average Difference" HA 35 0.407 0.063 0.408 25421
39 1 7 "Average Difference" C 29 1.255 0.248 1.252 25421
40 1 7 "Average Difference" CA 32 2.019 0.427 2.005 25421
41 1 7 "Average Difference" CB 29 6.076 -2.742 5.518 25421
42 1 7 "Average Difference" HN 30 0.397 -0.152 0.373 25421
43 1 8 "Average Difference" N 30 3.010 -0.536 3.012 25421
44 1 8 "Average Difference" HA 35 0.419 0.059 0.421 25421
45 1 8 "Average Difference" C 29 1.196 0.234 1.194 25421
46 1 8 "Average Difference" CA 32 1.957 0.278 1.969 25421
47 1 8 "Average Difference" CB 29 6.023 -2.682 5.489 25421
48 1 8 "Average Difference" HN 30 0.484 -0.229 0.433 25421
49 1 9 "Average Difference" N 30 2.830 -0.144 2.875 25421
50 1 9 "Average Difference" HA 35 0.403 0.061 0.404 25421
51 1 9 "Average Difference" C 29 1.338 0.302 1.327 25421
52 1 9 "Average Difference" CA 32 2.041 0.426 2.028 25421
53 1 9 "Average Difference" CB 29 6.174 -2.812 5.594 25421
54 1 9 "Average Difference" HN 30 0.447 -0.179 0.416 25421
55 1 10 "Average Difference" N 30 2.728 -0.303 2.758 25421
56 1 10 "Average Difference" HA 35 0.416 0.060 0.418 25421
57 1 10 "Average Difference" C 29 1.255 0.324 1.234 25421
58 1 10 "Average Difference" CA 32 1.980 0.441 1.961 25421
59 1 10 "Average Difference" CB 29 6.037 -2.688 5.502 25421
60 1 10 "Average Difference" HN 30 0.415 -0.143 0.396 25421
61 1 11 "Average Difference" N 30 2.612 -0.440 2.619 25421
62 1 11 "Average Difference" HA 35 0.407 0.063 0.408 25421
63 1 11 "Average Difference" C 29 1.146 0.229 1.143 25421
64 1 11 "Average Difference" CA 32 2.019 0.401 2.010 25421
65 1 11 "Average Difference" CB 29 5.946 -2.667 5.408 25421
66 1 11 "Average Difference" HN 30 0.429 -0.162 0.405 25421
67 1 12 "Average Difference" N 30 2.495 -0.525 2.481 25421
68 1 12 "Average Difference" HA 35 0.395 0.060 0.396 25421
69 1 12 "Average Difference" C 29 1.187 0.162 1.197 25421
70 1 12 "Average Difference" CA 32 2.020 0.431 2.005 25421
71 1 12 "Average Difference" CB 29 6.028 -2.765 5.451 25421
72 1 12 "Average Difference" HN 30 0.428 -0.189 0.390 25421
73 1 13 "Average Difference" N 30 2.723 -0.226 2.760 25421
74 1 13 "Average Difference" HA 35 0.409 0.084 0.406 25421
75 1 13 "Average Difference" C 29 1.172 0.240 1.167 25421
76 1 13 "Average Difference" CA 32 2.027 0.362 2.026 25421
77 1 13 "Average Difference" CB 29 6.014 -2.730 5.453 25421
78 1 13 "Average Difference" HN 30 0.442 -0.168 0.416 25421
79 1 14 "Average Difference" N 30 2.845 -0.261 2.882 25421
80 1 14 "Average Difference" HA 35 0.419 0.071 0.419 25421
81 1 14 "Average Difference" C 29 1.215 0.251 1.210 25421
82 1 14 "Average Difference" CA 32 2.049 0.414 2.038 25421
83 1 14 "Average Difference" CB 29 5.997 -2.715 5.442 25421
84 1 14 "Average Difference" HN 30 0.401 -0.130 0.386 25421
85 1 15 "Average Difference" N 30 2.838 0.075 2.886 25421
86 1 15 "Average Difference" HA 35 0.415 0.084 0.413 25421
87 1 15 "Average Difference" C 29 1.259 0.333 1.236 25421
88 1 15 "Average Difference" CA 32 2.035 0.352 2.037 25421
89 1 15 "Average Difference" CB 29 6.038 -2.733 5.480 25421
90 1 15 "Average Difference" HN 30 0.404 -0.138 0.387 25421
91 1 16 "Average Difference" N 30 2.649 -0.111 2.691 25421
92 1 16 "Average Difference" HA 35 0.413 0.067 0.413 25421
93 1 16 "Average Difference" C 29 1.353 0.387 1.319 25421
94 1 16 "Average Difference" CA 32 2.041 0.432 2.026 25421
95 1 16 "Average Difference" CB 29 6.153 -2.805 5.574 25421
96 1 16 "Average Difference" HN 30 0.433 -0.182 0.399 25421
97 1 17 "Average Difference" N 30 2.583 -0.443 2.588 25421
98 1 17 "Average Difference" HA 35 0.398 0.069 0.398 25421
99 1 17 "Average Difference" C 29 1.224 0.252 1.219 25421
100 1 17 "Average Difference" CA 32 1.976 0.381 1.970 25421
101 1 17 "Average Difference" CB 29 6.019 -2.654 5.498 25421
102 1 17 "Average Difference" HN 30 0.457 -0.185 0.425 25421
103 1 18 "Average Difference" N 30 2.870 -0.317 2.901 25421
104 1 18 "Average Difference" HA 35 0.439 0.039 0.444 25421
105 1 18 "Average Difference" C 29 1.252 0.304 1.236 25421
106 1 18 "Average Difference" CA 32 2.049 0.401 2.042 25421
107 1 18 "Average Difference" CB 29 6.078 -2.809 5.486 25421
108 1 18 "Average Difference" HN 30 0.415 -0.158 0.390 25421
109 1 19 "Average Difference" N 30 2.911 -0.241 2.950 25421
110 1 19 "Average Difference" HA 35 0.404 0.040 0.408 25421
111 1 19 "Average Difference" C 29 1.255 0.253 1.251 25421
112 1 19 "Average Difference" CA 32 2.035 0.411 2.025 25421
113 1 19 "Average Difference" CB 29 6.022 -2.793 5.430 25421
114 1 19 "Average Difference" HN 30 0.504 -0.202 0.470 25421
115 1 20 "Average Difference" N 30 3.032 -0.339 3.065 25421
116 1 20 "Average Difference" HA 35 0.415 0.053 0.417 25421
117 1 20 "Average Difference" C 29 1.312 0.324 1.294 25421
118 1 20 "Average Difference" CA 32 2.055 0.385 2.051 25421
119 1 20 "Average Difference" CB 29 6.041 -2.742 5.478 25421
120 1 20 "Average Difference" HN 30 0.493 -0.192 0.462 25421
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 25421
_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 GLU N N 2 120.667 120.667 120.525 0.142 25421
2 1 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.598 -0.172 25421
3 1 . 1 1 2 2 GLU C C 2 175.960 175.960 175.899 0.061 25421
4 1 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.047 0.026 25421
5 1 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.850 -0.411 25421
6 1 . 1 1 2 2 GLU H H 2 8.716 8.716 8.536 0.180 25421
7 1 . 1 1 3 3 CYS N N 3 119.340 119.340 118.578 0.762 25421
8 1 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.656 0.166 25421
9 1 . 1 1 3 3 CYS C C 3 173.426 173.426 174.937 -1.511 25421
10 1 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.863 -2.163 25421
11 1 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.440 13.176 25421
12 1 . 1 1 3 3 CYS H H 3 8.457 8.457 8.436 0.021 25421
13 1 . 1 1 4 4 LYS N N 4 121.064 121.064 122.888 -1.824 25421
14 1 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.218 0.108 25421
15 1 . 1 1 4 4 LYS C C 4 174.620 174.620 177.071 -2.451 25421
16 1 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.767 -1.164 25421
17 1 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.016 1.294 25421
18 1 . 1 1 4 4 LYS H H 4 8.763 8.763 8.279 0.484 25421
19 1 . 1 1 5 5 GLY N N 5 109.502 109.502 107.343 2.160 25421
20 1 . 1 1 5 5 GLY C C 5 171.833 171.833 173.691 -1.858 25421
21 1 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.310 -2.668 25421
22 1 . 1 1 5 5 GLY H H 5 7.983 7.983 8.147 -0.164 25421
23 1 . 1 1 6 6 PHE N N 6 117.331 117.331 118.870 -1.539 25421
24 1 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.919 -1.293 25421
25 1 . 1 1 6 6 PHE C C 6 176.435 176.435 175.041 1.394 25421
26 1 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.085 -0.172 25421
27 1 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.082 -1.999 25421
28 1 . 1 1 6 6 PHE H H 6 7.581 7.581 8.086 -0.505 25421
29 1 . 1 1 7 7 TRP N N 7 123.869 123.869 119.155 4.714 25421
30 1 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.417 -0.828 25421
31 1 . 1 1 7 7 TRP C C 7 175.204 175.204 175.819 -0.615 25421
32 1 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.728 1.792 25421
33 1 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.526 -1.239 25421
34 1 . 1 1 7 7 TRP H H 7 8.997 8.997 7.839 1.158 25421
35 1 . 1 1 8 8 LYS N N 8 118.614 118.614 120.319 -1.705 25421
36 1 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.234 0.276 25421
37 1 . 1 1 8 8 LYS C C 8 176.595 176.595 175.957 0.638 25421
38 1 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.456 -2.472 25421
39 1 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.787 0.009 25421
40 1 . 1 1 8 8 LYS H H 8 7.719 7.719 7.599 0.120 25421
41 1 . 1 1 9 9 SER N N 9 116.747 116.747 113.969 2.778 25421
42 1 . 1 1 9 9 SER HA H 9 4.808 4.808 4.886 -0.078 25421
43 1 . 1 1 9 9 SER C C 9 172.976 172.976 173.542 -0.566 25421
44 1 . 1 1 9 9 SER CA C 9 59.175 59.175 57.220 1.956 25421
45 1 . 1 1 9 9 SER CB C 9 63.827 63.827 63.820 0.007 25421
46 1 . 1 1 9 9 SER H H 9 8.430 8.430 8.274 0.156 25421
47 1 . 1 1 10 10 CYS N N 10 118.508 118.508 121.015 -2.507 25421
48 1 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.997 -0.019 25421
49 1 . 1 1 10 10 CYS C C 10 172.556 172.556 173.206 -0.650 25421
50 1 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.490 -3.212 25421
51 1 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.941 15.818 25421
52 1 . 1 1 10 10 CYS H H 10 8.142 8.142 8.011 0.131 25421
53 1 . 1 1 11 11 VAL N N 11 122.963 122.963 115.161 7.802 25421
54 1 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.595 -0.260 25421
55 1 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.097 1.227 25421
56 1 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.793 0.130 25421
57 1 . 1 1 11 11 VAL H H 11 8.835 8.835 8.187 0.648 25421
58 1 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.391 -0.448 25421
59 1 . 1 1 12 12 PRO C C 12 176.806 176.806 177.696 -0.890 25421
60 1 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.813 0.516 25421
61 1 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.466 0.323 25421
62 1 . 1 1 13 13 GLY N N 13 111.847 111.847 113.229 -1.382 25421
63 1 . 1 1 13 13 GLY C C 13 174.856 174.856 175.169 -0.313 25421
64 1 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.273 0.023 25421
65 1 . 1 1 13 13 GLY H H 13 8.826 8.826 8.621 0.205 25421
66 1 . 1 1 14 14 LYS N N 14 117.957 117.957 121.111 -3.154 25421
67 1 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.278 0.205 25421
68 1 . 1 1 14 14 LYS C C 14 175.718 175.718 176.895 -1.177 25421
69 1 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.663 -1.250 25421
70 1 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.348 -0.495 25421
71 1 . 1 1 14 14 LYS H H 14 7.590 7.590 7.596 -0.006 25421
72 1 . 1 1 15 15 ASN N N 15 118.663 118.663 115.843 2.820 25421
73 1 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.473 0.204 25421
74 1 . 1 1 15 15 ASN C C 15 175.372 175.372 175.118 0.254 25421
75 1 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.810 -0.188 25421
76 1 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.909 0.462 25421
77 1 . 1 1 15 15 ASN H H 15 8.473 8.473 8.033 0.440 25421
78 1 . 1 1 16 16 GLU N N 16 115.492 115.492 115.462 0.030 25421
79 1 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.148 0.156 25421
80 1 . 1 1 16 16 GLU C C 16 178.083 178.083 177.418 0.665 25421
81 1 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.990 -0.568 25421
82 1 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.998 2.528 25421
83 1 . 1 1 16 16 GLU H H 16 8.848 8.848 8.681 0.167 25421
84 1 . 1 1 17 17 CYS N N 17 117.244 117.244 117.346 -0.102 25421
85 1 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.144 1.032 25421
86 1 . 1 1 17 17 CYS C C 17 175.716 175.716 176.026 -0.310 25421
87 1 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.391 -4.861 25421
88 1 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.194 12.880 25421
89 1 . 1 1 17 17 CYS H H 17 8.278 8.278 8.178 0.100 25421
90 1 . 1 1 18 18 CYS N N 18 121.456 121.456 121.944 -0.488 25421
91 1 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.438 0.128 25421
92 1 . 1 1 18 18 CYS C C 18 172.720 172.720 175.761 -3.041 25421
93 1 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.953 -4.617 25421
94 1 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.960 13.183 25421
95 1 . 1 1 18 18 CYS H H 18 9.308 9.308 8.539 0.769 25421
96 1 . 1 1 19 19 SER N N 19 114.196 114.196 117.683 -3.487 25421
97 1 . 1 1 19 19 SER HA H 19 4.273 4.273 4.276 -0.003 25421
98 1 . 1 1 19 19 SER C C 19 175.114 175.114 175.730 -0.616 25421
99 1 . 1 1 19 19 SER CA C 19 60.335 60.335 60.135 0.200 25421
100 1 . 1 1 19 19 SER CB C 19 63.047 63.047 63.422 -0.374 25421
101 1 . 1 1 19 19 SER H H 19 8.461 8.461 8.692 -0.231 25421
102 1 . 1 1 20 20 GLY N N 20 113.736 113.736 113.694 0.042 25421
103 1 . 1 1 20 20 GLY C C 20 173.468 173.468 173.883 -0.415 25421
104 1 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.877 -0.295 25421
105 1 . 1 1 20 20 GLY H H 20 8.836 8.836 8.688 0.148 25421
106 1 . 1 1 21 21 TYR N N 21 118.820 118.820 120.695 -1.875 25421
107 1 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.916 0.353 25421
108 1 . 1 1 21 21 TYR C C 21 174.011 174.011 174.553 -0.542 25421
109 1 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.059 -1.004 25421
110 1 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.972 1.687 25421
111 1 . 1 1 21 21 TYR H H 21 8.276 8.276 7.865 0.411 25421
112 1 . 1 1 22 22 ALA N N 22 120.868 120.868 124.213 -3.345 25421
113 1 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.710 -0.057 25421
114 1 . 1 1 22 22 ALA C C 22 176.439 176.439 175.158 1.281 25421
115 1 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.315 0.656 25421
116 1 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.834 1.272 25421
117 1 . 1 1 22 22 ALA H H 22 9.357 9.357 8.341 1.016 25421
118 1 . 1 1 23 23 CYS N N 23 122.679 122.679 118.135 4.544 25421
119 1 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.124 -0.559 25421
120 1 . 1 1 23 23 CYS C C 23 174.530 174.530 174.855 -0.325 25421
121 1 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.235 -2.531 25421
122 1 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.445 12.395 25421
123 1 . 1 1 23 23 CYS H H 23 8.917 8.917 8.525 0.392 25421
124 1 . 1 1 24 24 SER N N 24 123.845 123.845 120.623 3.222 25421
125 1 . 1 1 24 24 SER HA H 24 4.455 4.455 4.935 -0.480 25421
126 1 . 1 1 24 24 SER C C 24 175.964 175.964 174.822 1.142 25421
127 1 . 1 1 24 24 SER CA C 24 57.449 57.449 57.078 0.371 25421
128 1 . 1 1 24 24 SER CB C 24 63.616 63.616 64.440 -0.824 25421
129 1 . 1 1 24 24 SER H H 24 8.057 8.057 8.660 -0.603 25421
130 1 . 1 1 25 25 SER N N 25 124.964 124.964 123.623 1.341 25421
131 1 . 1 1 25 25 SER HA H 25 3.977 3.977 4.236 -0.259 25421
132 1 . 1 1 25 25 SER C C 25 174.925 174.925 175.606 -0.681 25421
133 1 . 1 1 25 25 SER CA C 25 61.411 61.411 59.865 1.546 25421
134 1 . 1 1 25 25 SER CB C 25 62.650 62.650 63.320 -0.670 25421
135 1 . 1 1 25 25 SER H H 25 9.029 9.029 9.013 0.016 25421
136 1 . 1 1 26 26 ARG N N 26 119.221 119.221 120.339 -1.118 25421
137 1 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.058 0.067 25421
138 1 . 1 1 26 26 ARG C C 26 177.031 177.031 176.732 0.299 25421
139 1 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.411 -0.476 25421
140 1 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.225 0.895 25421
141 1 . 1 1 26 26 ARG H H 26 7.880 7.880 8.141 -0.261 25421
142 1 . 1 1 27 27 ASP N N 27 115.090 115.090 115.185 -0.095 25421
143 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.338 -0.065 25421
144 1 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.147 1.410 25421
145 1 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.846 0.109 25421
146 1 . 1 1 27 27 ASP H H 27 7.396 7.396 7.487 -0.091 25421
147 1 . 1 1 28 28 LYS N N 28 114.145 114.145 117.145 -3.000 25421
148 1 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421
149 1 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.372 0.114 25421
150 1 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.982 -1.916 25421
151 1 . 1 1 28 28 LYS H H 28 8.096 8.096 7.922 0.175 25421
152 1 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.353 0.044 25421
153 1 . 1 1 29 29 TRP C C 29 177.187 177.187 174.933 2.254 25421
154 1 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.144 2.560 25421
155 1 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.885 1.394 25421
156 1 . 1 1 30 30 CYS N N 30 119.238 119.238 119.066 0.172 25421
157 1 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.158 -0.262 25421
158 1 . 1 1 30 30 CYS C C 30 174.364 174.364 174.706 -0.342 25421
159 1 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.212 -2.626 25421
160 1 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.673 10.533 25421
161 1 . 1 1 30 30 CYS H H 30 8.447 8.447 8.153 0.294 25421
162 1 . 1 1 31 31 LYS N N 31 124.793 124.793 120.231 4.562 25421
163 1 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.906 0.135 25421
164 1 . 1 1 31 31 LYS C C 31 175.662 175.662 174.809 0.853 25421
165 1 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.405 0.771 25421
166 1 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.007 -0.132 25421
167 1 . 1 1 31 31 LYS H H 31 9.191 9.191 8.778 0.413 25421
168 1 . 1 1 32 32 VAL N N 32 121.483 121.483 121.976 -0.493 25421
169 1 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.914 -0.093 25421
170 1 . 1 1 32 32 VAL C C 32 175.973 175.973 174.549 1.424 25421
171 1 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.997 4.076 25421
172 1 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.640 -1.272 25421
173 1 . 1 1 32 32 VAL H H 32 8.424 8.424 8.537 -0.113 25421
174 1 . 1 1 33 33 LEU N N 33 128.865 128.865 128.989 -0.124 25421
175 1 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.291 0.016 25421
176 1 . 1 1 33 33 LEU C C 33 175.217 175.217 177.118 -1.901 25421
177 1 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.163 0.152 25421
178 1 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.711 0.878 25421
179 1 . 1 1 33 33 LEU H H 33 8.045 8.045 8.224 -0.179 25421
stop_
save_