data_17681
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17681
_Entry.PDB_ID 2LDS
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 17681
_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 PHE N N 2 120.168 120.168 121.541 -1.373 17681
2 1 1 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.881 -0.086 17681
3 1 1 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.729 -0.881 17681
4 1 1 . 1 1 2 2 PHE CB C 2 39.777 39.777 40.288 -0.511 17681
5 1 1 . 1 1 2 2 PHE H H 2 8.111 8.111 8.263 -0.152 17681
6 1 1 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.379 0.164 17681
7 1 1 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.706 -1.325 17681
8 1 1 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.047 0.012 17681
9 1 1 . 1 1 4 4 LEU N N 4 122.876 122.876 118.578 4.298 17681
10 1 1 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.124 0.471 17681
11 1 1 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.281 -0.199 17681
12 1 1 . 1 1 4 4 LEU CB C 4 42.364 42.364 42.099 0.265 17681
13 1 1 . 1 1 4 4 LEU H H 4 8.549 8.549 7.979 0.570 17681
14 1 1 . 1 1 5 5 SER N N 5 121.367 121.367 115.765 5.602 17681
15 1 1 . 1 1 5 5 SER HA H 5 4.441 4.441 4.591 -0.150 17681
16 1 1 . 1 1 5 5 SER CA C 5 59.423 59.423 57.657 1.766 17681
17 1 1 . 1 1 5 5 SER CB C 5 66.092 66.092 65.076 1.016 17681
18 1 1 . 1 1 5 5 SER H H 5 9.307 9.307 8.513 0.794 17681
19 1 1 . 1 1 6 6 LYS N N 6 122.742 122.742 120.254 2.488 17681
20 1 1 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.563 -0.340 17681
21 1 1 . 1 1 6 6 LYS CA C 6 54.220 54.220 54.937 -0.717 17681
22 1 1 . 1 1 6 6 LYS CB C 6 33.256 33.256 34.471 -1.215 17681
23 1 1 . 1 1 6 6 LYS H H 6 8.804 8.804 8.291 0.513 17681
24 1 1 . 1 1 7 7 GLU N N 7 120.659 120.659 118.422 2.237 17681
25 1 1 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.914 -0.648 17681
26 1 1 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.411 1.687 17681
27 1 1 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.414 -0.124 17681
28 1 1 . 1 1 7 7 GLU H H 7 8.034 8.034 8.512 -0.478 17681
29 1 1 . 1 1 8 8 TYR N N 8 116.938 116.938 117.813 -0.875 17681
30 1 1 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.699 -0.764 17681
31 1 1 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.484 2.072 17681
32 1 1 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.413 -2.165 17681
33 1 1 . 1 1 8 8 TYR H H 8 9.324 9.324 8.887 0.437 17681
34 1 1 . 1 1 9 9 GLU N N 9 119.307 119.307 125.850 -6.543 17681
35 1 1 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.405 0.102 17681
36 1 1 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.333 -0.897 17681
37 1 1 . 1 1 9 9 GLU CB C 9 30.638 30.638 32.296 -1.658 17681
38 1 1 . 1 1 9 9 GLU H H 9 8.132 8.132 8.911 -0.779 17681
39 1 1 . 1 1 10 10 THR N N 10 112.232 112.232 110.781 1.451 17681
40 1 1 . 1 1 10 10 THR HA H 10 4.586 4.586 4.666 -0.080 17681
41 1 1 . 1 1 10 10 THR CA C 10 61.753 61.753 62.290 -0.537 17681
42 1 1 . 1 1 10 10 THR CB C 10 69.408 69.408 69.849 -0.441 17681
43 1 1 . 1 1 10 10 THR H H 10 8.095 8.095 7.863 0.232 17681
44 1 1 . 1 1 11 11 CYS N N 11 119.943 119.943 120.116 -0.173 17681
45 1 1 . 1 1 11 11 CYS HA H 11 4.533 4.533 5.176 -0.643 17681
46 1 1 . 1 1 11 11 CYS CA C 11 55.588 55.588 57.285 -1.697 17681
47 1 1 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.916 17.178 17681
48 1 1 . 1 1 11 11 CYS H H 11 8.344 8.344 8.337 0.007 17681
49 1 1 . 1 1 12 12 VAL N N 12 121.481 121.481 118.566 2.915 17681
50 1 1 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.149 -0.338 17681
51 1 1 . 1 1 12 12 VAL CA C 12 63.381 63.381 62.032 1.349 17681
52 1 1 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.475 -0.376 17681
53 1 1 . 1 1 12 12 VAL H H 12 7.402 7.402 7.372 0.030 17681
54 1 1 . 1 1 13 13 ARG N N 13 129.794 129.794 120.262 9.532 17681
55 1 1 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.053 0.250 17681
56 1 1 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.018 -4.424 17681
57 1 1 . 1 1 13 13 ARG CB C 13 29.255 29.255 27.906 1.349 17681
58 1 1 . 1 1 13 13 ARG H H 13 8.598 8.598 8.734 -0.136 17681
59 1 1 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.036 0.519 17681
60 1 1 . 1 1 14 14 PRO CA C 14 63.969 63.969 63.163 0.806 17681
61 1 1 . 1 1 14 14 PRO CB C 14 33.342 33.342 30.978 2.364 17681
62 1 1 . 1 1 15 15 ARG N N 15 126.618 126.618 120.675 5.943 17681
63 1 1 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.483 -0.205 17681
64 1 1 . 1 1 15 15 ARG CA C 15 56.888 56.888 54.581 2.307 17681
65 1 1 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.141 0.398 17681
66 1 1 . 1 1 15 15 ARG H H 15 8.693 8.693 7.407 1.286 17681
67 1 1 . 1 1 16 16 LYS N N 16 119.478 119.478 120.108 -0.630 17681
68 1 1 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.402 0.139 17681
69 1 1 . 1 1 16 16 LYS CA C 16 54.204 54.204 55.808 -1.604 17681
70 1 1 . 1 1 16 16 LYS CB C 16 36.222 36.222 31.899 4.323 17681
71 1 1 . 1 1 16 16 LYS H H 16 8.609 8.609 7.694 0.915 17681
72 1 1 . 1 1 17 17 CYS N N 17 117.793 117.793 125.264 -7.471 17681
73 1 1 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.327 0.272 17681
74 1 1 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.234 -5.962 17681
75 1 1 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.029 13.597 17681
76 1 1 . 1 1 17 17 CYS H H 17 8.815 8.815 8.826 -0.011 17681
77 1 1 . 1 1 18 18 GLN N N 18 125.666 125.666 126.964 -1.298 17681
78 1 1 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.261 0.007 17681
79 1 1 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.362 -4.381 17681
80 1 1 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.884 1.385 17681
81 1 1 . 1 1 18 18 GLN H H 18 9.357 9.357 8.808 0.549 17681
82 1 1 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.914 -0.182 17681
83 1 1 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.417 0.249 17681
84 1 1 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.067 1.040 17681
85 1 1 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.058 2.452 17681
86 1 1 . 1 1 21 21 LEU N N 21 122.986 122.986 122.089 0.897 17681
87 1 1 . 1 1 21 21 LEU HA H 21 4.184 4.184 5.228 -1.044 17681
88 1 1 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.852 2.710 17681
89 1 1 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.184 -3.433 17681
90 1 1 . 1 1 21 21 LEU H H 21 8.711 8.711 7.997 0.714 17681
91 1 1 . 1 1 22 22 LYS N N 22 118.732 118.732 120.190 -1.458 17681
92 1 1 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.585 -0.041 17681
93 1 1 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.304 -1.696 17681
94 1 1 . 1 1 22 22 LYS CB C 22 36.331 36.331 34.676 1.655 17681
95 1 1 . 1 1 22 22 LYS H H 22 9.008 9.008 8.676 0.332 17681
96 1 1 . 1 1 23 23 CYS N N 23 123.466 123.466 122.803 0.663 17681
97 1 1 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.622 0.088 17681
98 1 1 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.314 10.759 17681
99 1 1 . 1 1 23 23 CYS H H 23 8.650 8.650 8.968 -0.318 17681
100 1 1 . 1 1 24 24 ASN N N 24 130.764 130.764 118.165 12.599 17681
101 1 1 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.650 0.106 17681
102 1 1 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.019 -2.094 17681
103 1 1 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.203 -0.298 17681
104 1 1 . 1 1 24 24 ASN H H 24 8.862 8.862 8.828 0.034 17681
105 1 1 . 1 1 25 25 LYS N N 25 117.853 117.853 118.436 -0.583 17681
106 1 1 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.349 -0.327 17681
107 1 1 . 1 1 25 25 LYS CA C 25 58.980 58.980 57.092 1.888 17681
108 1 1 . 1 1 25 25 LYS CB C 25 31.875 31.875 33.279 -1.404 17681
109 1 1 . 1 1 25 25 LYS H H 25 8.268 8.268 7.833 0.435 17681
110 1 1 . 1 1 26 26 ALA N N 26 122.085 122.085 122.655 -0.570 17681
111 1 1 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.421 -0.051 17681
112 1 1 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.671 -1.076 17681
113 1 1 . 1 1 26 26 ALA CB C 26 18.192 18.192 18.964 -0.772 17681
114 1 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.707 -0.422 17681
115 1 1 . 1 1 27 27 GLN N N 27 112.592 112.592 115.796 -3.204 17681
116 1 1 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.034 -0.207 17681
117 1 1 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.620 0.702 17681
118 1 1 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.878 -0.591 17681
119 1 1 . 1 1 27 27 GLN H H 27 8.217 8.217 7.883 0.334 17681
120 1 1 . 1 1 28 28 ILE N N 28 117.853 117.853 119.676 -1.823 17681
121 1 1 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.318 0.313 17681
122 1 1 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.968 -1.538 17681
123 1 1 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.751 1.111 17681
124 1 1 . 1 1 28 28 ILE H H 28 7.727 7.727 8.350 -0.623 17681
125 1 1 . 1 1 29 29 CYS N N 29 121.223 121.223 118.416 2.807 17681
126 1 1 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.273 0.692 17681
127 1 1 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.631 -5.872 17681
128 1 1 . 1 1 29 29 CYS CB C 29 40.213 40.213 25.833 14.380 17681
129 1 1 . 1 1 29 29 CYS H H 29 8.151 8.151 8.453 -0.302 17681
130 1 1 . 1 1 30 30 VAL N N 30 117.790 117.790 119.144 -1.354 17681
131 1 1 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.456 0.314 17681
132 1 1 . 1 1 30 30 VAL CA C 30 58.888 58.888 61.422 -2.534 17681
133 1 1 . 1 1 30 30 VAL CB C 30 36.172 36.172 35.584 0.588 17681
134 1 1 . 1 1 30 30 VAL H H 30 9.370 9.370 8.764 0.606 17681
135 1 1 . 1 1 31 31 ASP N N 31 122.993 122.993 115.766 7.227 17681
136 1 1 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.975 -0.230 17681
137 1 1 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.204 -2.348 17681
138 1 1 . 1 1 31 31 ASP CB C 31 42.340 42.340 40.990 1.350 17681
139 1 1 . 1 1 31 31 ASP H H 31 9.170 9.170 8.365 0.805 17681
140 1 1 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.336 0.066 17681
141 1 1 . 1 1 32 32 PRO CA C 32 64.273 64.273 64.243 0.030 17681
142 1 1 . 1 1 32 32 PRO CB C 32 32.400 32.400 31.907 0.493 17681
143 1 1 . 1 1 33 33 LYS N N 33 118.066 118.066 119.739 -1.673 17681
144 1 1 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.187 -0.057 17681
145 1 1 . 1 1 33 33 LYS CA C 33 57.578 57.578 58.252 -0.674 17681
146 1 1 . 1 1 33 33 LYS H H 33 8.457 8.457 8.396 0.061 17681
147 1 1 . 1 1 34 34 LYS N N 34 118.755 118.755 118.399 0.356 17681
148 1 1 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.440 -0.180 17681
149 1 1 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.112 0.691 17681
150 1 1 . 1 1 34 34 LYS CB C 34 33.071 33.071 33.438 -0.367 17681
151 1 1 . 1 1 34 34 LYS H H 34 7.784 7.784 7.711 0.073 17681
152 1 1 . 1 1 35 35 GLY N N 35 108.028 108.028 111.215 -3.187 17681
153 1 1 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.737 0.713 17681
154 1 1 . 1 1 35 35 GLY H H 35 7.842 7.842 8.195 -0.353 17681
155 1 2 . 1 1 2 2 PHE N N 2 120.168 120.168 121.713 -1.545 17681
156 1 2 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.668 0.127 17681
157 1 2 . 1 1 2 2 PHE CA C 2 55.848 55.848 55.136 0.712 17681
158 1 2 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.762 0.015 17681
159 1 2 . 1 1 2 2 PHE H H 2 8.111 8.111 8.224 -0.113 17681
160 1 2 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.575 -0.032 17681
161 1 2 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.250 -0.869 17681
162 1 2 . 1 1 3 3 PRO CB C 3 32.059 32.059 31.215 0.844 17681
163 1 2 . 1 1 4 4 LEU N N 4 122.876 122.876 119.518 3.358 17681
164 1 2 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.812 -0.217 17681
165 1 2 . 1 1 4 4 LEU CA C 4 55.081 55.081 54.504 0.577 17681
166 1 2 . 1 1 4 4 LEU CB C 4 42.364 42.364 43.527 -1.163 17681
167 1 2 . 1 1 4 4 LEU H H 4 8.549 8.549 8.143 0.406 17681
168 1 2 . 1 1 5 5 SER N N 5 121.367 121.367 114.881 6.486 17681
169 1 2 . 1 1 5 5 SER HA H 5 4.441 4.441 4.837 -0.396 17681
170 1 2 . 1 1 5 5 SER CA C 5 59.423 59.423 56.892 2.531 17681
171 1 2 . 1 1 5 5 SER CB C 5 66.092 66.092 65.419 0.673 17681
172 1 2 . 1 1 5 5 SER H H 5 9.307 9.307 8.442 0.865 17681
173 1 2 . 1 1 6 6 LYS N N 6 122.742 122.742 120.695 2.047 17681
174 1 2 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.473 -0.250 17681
175 1 2 . 1 1 6 6 LYS CA C 6 54.220 54.220 54.984 -0.764 17681
176 1 2 . 1 1 6 6 LYS CB C 6 33.256 33.256 33.799 -0.543 17681
177 1 2 . 1 1 6 6 LYS H H 6 8.804 8.804 8.212 0.592 17681
178 1 2 . 1 1 7 7 GLU N N 7 120.659 120.659 116.872 3.787 17681
179 1 2 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.909 -0.643 17681
180 1 2 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.689 1.409 17681
181 1 2 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.346 -0.056 17681
182 1 2 . 1 1 7 7 GLU H H 7 8.034 8.034 8.451 -0.417 17681
183 1 2 . 1 1 8 8 TYR N N 8 116.938 116.938 117.215 -0.277 17681
184 1 2 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.691 -0.756 17681
185 1 2 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.134 2.423 17681
186 1 2 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.562 -2.314 17681
187 1 2 . 1 1 8 8 TYR H H 8 9.324 9.324 8.756 0.568 17681
188 1 2 . 1 1 9 9 GLU N N 9 119.307 119.307 127.047 -7.740 17681
189 1 2 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.463 0.044 17681
190 1 2 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.313 -0.877 17681
191 1 2 . 1 1 9 9 GLU CB C 9 30.638 30.638 31.789 -1.151 17681
192 1 2 . 1 1 9 9 GLU H H 9 8.132 8.132 9.010 -0.878 17681
193 1 2 . 1 1 10 10 THR N N 10 112.232 112.232 111.609 0.623 17681
194 1 2 . 1 1 10 10 THR HA H 10 4.586 4.586 4.720 -0.134 17681
195 1 2 . 1 1 10 10 THR CA C 10 61.753 61.753 61.553 0.200 17681
196 1 2 . 1 1 10 10 THR CB C 10 69.408 69.408 70.766 -1.358 17681
197 1 2 . 1 1 10 10 THR H H 10 8.095 8.095 7.961 0.134 17681
198 1 2 . 1 1 11 11 CYS N N 11 119.943 119.943 123.285 -3.342 17681
199 1 2 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.602 -0.069 17681
200 1 2 . 1 1 11 11 CYS CA C 11 55.588 55.588 59.923 -4.335 17681
201 1 2 . 1 1 11 11 CYS CB C 11 44.094 44.094 27.704 16.390 17681
202 1 2 . 1 1 11 11 CYS H H 11 8.344 8.344 8.652 -0.308 17681
203 1 2 . 1 1 12 12 VAL N N 12 121.481 121.481 116.316 5.165 17681
204 1 2 . 1 1 12 12 VAL HA H 12 3.811 3.811 3.643 0.168 17681
205 1 2 . 1 1 12 12 VAL CA C 12 63.381 63.381 63.136 0.245 17681
206 1 2 . 1 1 12 12 VAL CB C 12 32.099 32.099 31.424 0.675 17681
207 1 2 . 1 1 12 12 VAL H H 12 7.402 7.402 7.751 -0.349 17681
208 1 2 . 1 1 13 13 ARG N N 13 129.794 129.794 123.312 6.482 17681
209 1 2 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.195 0.108 17681
210 1 2 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.637 -5.043 17681
211 1 2 . 1 1 13 13 ARG CB C 13 29.255 29.255 29.090 0.165 17681
212 1 2 . 1 1 13 13 ARG H H 13 8.598 8.598 8.617 -0.019 17681
213 1 2 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.235 0.320 17681
214 1 2 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.656 -0.687 17681
215 1 2 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.383 1.959 17681
216 1 2 . 1 1 15 15 ARG N N 15 126.618 126.618 117.573 9.045 17681
217 1 2 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.389 -0.111 17681
218 1 2 . 1 1 15 15 ARG CA C 15 56.888 56.888 54.687 2.201 17681
219 1 2 . 1 1 15 15 ARG CB C 15 30.539 30.539 29.154 1.385 17681
220 1 2 . 1 1 15 15 ARG H H 15 8.693 8.693 8.008 0.685 17681
221 1 2 . 1 1 16 16 LYS N N 16 119.478 119.478 119.783 -0.305 17681
222 1 2 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.206 0.335 17681
223 1 2 . 1 1 16 16 LYS CA C 16 54.204 54.204 57.307 -3.103 17681
224 1 2 . 1 1 16 16 LYS CB C 16 36.222 36.222 32.759 3.463 17681
225 1 2 . 1 1 16 16 LYS H H 16 8.609 8.609 7.281 1.328 17681
226 1 2 . 1 1 17 17 CYS N N 17 117.793 117.793 123.732 -5.939 17681
227 1 2 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.348 0.251 17681
228 1 2 . 1 1 17 17 CYS CA C 17 54.273 54.273 59.754 -5.481 17681
229 1 2 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.304 13.322 17681
230 1 2 . 1 1 17 17 CYS H H 17 8.815 8.815 8.856 -0.041 17681
231 1 2 . 1 1 18 18 GLN N N 18 125.666 125.666 125.746 -0.080 17681
232 1 2 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.371 -0.103 17681
233 1 2 . 1 1 18 18 GLN CA C 18 53.981 53.981 57.831 -3.850 17681
234 1 2 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.363 1.905 17681
235 1 2 . 1 1 18 18 GLN H H 18 9.357 9.357 8.826 0.531 17681
236 1 2 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.816 -0.084 17681
237 1 2 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.405 0.261 17681
238 1 2 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.152 0.955 17681
239 1 2 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.906 1.604 17681
240 1 2 . 1 1 21 21 LEU N N 21 122.986 122.986 123.199 -0.213 17681
241 1 2 . 1 1 21 21 LEU HA H 21 4.184 4.184 5.132 -0.948 17681
242 1 2 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.803 2.759 17681
243 1 2 . 1 1 21 21 LEU CB C 21 41.751 41.751 46.282 -4.531 17681
244 1 2 . 1 1 21 21 LEU H H 21 8.711 8.711 7.708 1.003 17681
245 1 2 . 1 1 22 22 LYS N N 22 118.732 118.732 119.981 -1.249 17681
246 1 2 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.617 -0.073 17681
247 1 2 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.314 -1.706 17681
248 1 2 . 1 1 22 22 LYS CB C 22 36.331 36.331 34.398 1.933 17681
249 1 2 . 1 1 22 22 LYS H H 22 9.008 9.008 8.811 0.197 17681
250 1 2 . 1 1 23 23 CYS N N 23 123.466 123.466 121.840 1.626 17681
251 1 2 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.642 0.068 17681
252 1 2 . 1 1 23 23 CYS CB C 23 40.073 40.073 28.905 11.168 17681
253 1 2 . 1 1 23 23 CYS H H 23 8.650 8.650 9.039 -0.389 17681
254 1 2 . 1 1 24 24 ASN N N 24 130.764 130.764 117.860 12.904 17681
255 1 2 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.744 0.012 17681
256 1 2 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.133 -2.208 17681
257 1 2 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.483 -0.579 17681
258 1 2 . 1 1 24 24 ASN H H 24 8.862 8.862 8.790 0.072 17681
259 1 2 . 1 1 25 25 LYS N N 25 117.853 117.853 117.839 0.014 17681
260 1 2 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.362 -0.340 17681
261 1 2 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.848 2.132 17681
262 1 2 . 1 1 25 25 LYS CB C 25 31.875 31.875 33.551 -1.676 17681
263 1 2 . 1 1 25 25 LYS H H 25 8.268 8.268 7.829 0.439 17681
264 1 2 . 1 1 26 26 ALA N N 26 122.085 122.085 122.951 -0.866 17681
265 1 2 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.410 -0.040 17681
266 1 2 . 1 1 26 26 ALA CA C 26 51.595 51.595 51.940 -0.345 17681
267 1 2 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.394 -1.202 17681
268 1 2 . 1 1 26 26 ALA H H 26 7.285 7.285 8.028 -0.743 17681
269 1 2 . 1 1 27 27 GLN N N 27 112.592 112.592 115.482 -2.890 17681
270 1 2 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.030 -0.203 17681
271 1 2 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.603 0.719 17681
272 1 2 . 1 1 27 27 GLN CB C 27 26.287 26.287 25.900 0.387 17681
273 1 2 . 1 1 27 27 GLN H H 27 8.217 8.217 8.116 0.101 17681
274 1 2 . 1 1 28 28 ILE N N 28 117.853 117.853 119.587 -1.734 17681
275 1 2 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.282 0.349 17681
276 1 2 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.113 -0.683 17681
277 1 2 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.368 1.494 17681
278 1 2 . 1 1 28 28 ILE H H 28 7.727 7.727 8.323 -0.596 17681
279 1 2 . 1 1 29 29 CYS N N 29 121.223 121.223 118.418 2.805 17681
280 1 2 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.151 0.814 17681
281 1 2 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.342 -5.583 17681
282 1 2 . 1 1 29 29 CYS CB C 29 40.213 40.213 25.761 14.452 17681
283 1 2 . 1 1 29 29 CYS H H 29 8.151 8.151 8.478 -0.327 17681
284 1 2 . 1 1 30 30 VAL N N 30 117.790 117.790 119.315 -1.525 17681
285 1 2 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.506 0.264 17681
286 1 2 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.361 -1.473 17681
287 1 2 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.980 1.192 17681
288 1 2 . 1 1 30 30 VAL H H 30 9.370 9.370 8.836 0.534 17681
289 1 2 . 1 1 31 31 ASP N N 31 122.993 122.993 115.714 7.279 17681
290 1 2 . 1 1 31 31 ASP HA H 31 4.745 4.745 5.019 -0.274 17681
291 1 2 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.121 -2.265 17681
292 1 2 . 1 1 31 31 ASP CB C 31 42.340 42.340 40.493 1.847 17681
293 1 2 . 1 1 31 31 ASP H H 31 9.170 9.170 8.412 0.758 17681
294 1 2 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.409 -0.007 17681
295 1 2 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.500 0.773 17681
296 1 2 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.301 0.099 17681
297 1 2 . 1 1 33 33 LYS N N 33 118.066 118.066 118.689 -0.623 17681
298 1 2 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.174 -0.044 17681
299 1 2 . 1 1 33 33 LYS CA C 33 57.578 57.578 57.934 -0.356 17681
300 1 2 . 1 1 33 33 LYS H H 33 8.457 8.457 8.142 0.315 17681
301 1 2 . 1 1 34 34 LYS N N 34 118.755 118.755 119.175 -0.420 17681
302 1 2 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.503 -0.243 17681
303 1 2 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.039 0.764 17681
304 1 2 . 1 1 34 34 LYS CB C 34 33.071 33.071 34.852 -1.782 17681
305 1 2 . 1 1 34 34 LYS H H 34 7.784 7.784 7.629 0.155 17681
306 1 2 . 1 1 35 35 GLY N N 35 108.028 108.028 112.828 -4.800 17681
307 1 2 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.559 0.891 17681
308 1 2 . 1 1 35 35 GLY H H 35 7.842 7.842 8.362 -0.520 17681
309 1 3 . 1 1 2 2 PHE N N 2 120.168 120.168 121.547 -1.379 17681
310 1 3 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.924 -0.129 17681
311 1 3 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.205 -0.357 17681
312 1 3 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.789 -0.012 17681
313 1 3 . 1 1 2 2 PHE H H 2 8.111 8.111 8.510 -0.399 17681
314 1 3 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.376 0.167 17681
315 1 3 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.654 -1.273 17681
316 1 3 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.137 -0.078 17681
317 1 3 . 1 1 4 4 LEU N N 4 122.876 122.876 114.916 7.960 17681
318 1 3 . 1 1 4 4 LEU HA H 4 4.595 4.595 3.990 0.605 17681
319 1 3 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.944 -0.863 17681
320 1 3 . 1 1 4 4 LEU CB C 4 42.364 42.364 40.996 1.368 17681
321 1 3 . 1 1 4 4 LEU H H 4 8.549 8.549 7.987 0.562 17681
322 1 3 . 1 1 5 5 SER N N 5 121.367 121.367 113.138 8.229 17681
323 1 3 . 1 1 5 5 SER HA H 5 4.441 4.441 4.497 -0.056 17681
324 1 3 . 1 1 5 5 SER CA C 5 59.423 59.423 57.840 1.583 17681
325 1 3 . 1 1 5 5 SER CB C 5 66.092 66.092 65.450 0.642 17681
326 1 3 . 1 1 5 5 SER H H 5 9.307 9.307 8.341 0.966 17681
327 1 3 . 1 1 6 6 LYS N N 6 122.742 122.742 125.086 -2.344 17681
328 1 3 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.331 -0.108 17681
329 1 3 . 1 1 6 6 LYS CA C 6 54.220 54.220 56.152 -1.932 17681
330 1 3 . 1 1 6 6 LYS CB C 6 33.256 33.256 33.038 0.218 17681
331 1 3 . 1 1 6 6 LYS H H 6 8.804 8.804 8.210 0.594 17681
332 1 3 . 1 1 7 7 GLU N N 7 120.659 120.659 117.839 2.820 17681
333 1 3 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.877 -0.611 17681
334 1 3 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.158 1.940 17681
335 1 3 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.520 -0.230 17681
336 1 3 . 1 1 7 7 GLU H H 7 8.034 8.034 8.506 -0.472 17681
337 1 3 . 1 1 8 8 TYR N N 8 116.938 116.938 116.608 0.330 17681
338 1 3 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.367 -0.432 17681
339 1 3 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.065 2.492 17681
340 1 3 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.941 -2.693 17681
341 1 3 . 1 1 8 8 TYR H H 8 9.324 9.324 8.309 1.015 17681
342 1 3 . 1 1 9 9 GLU N N 9 119.307 119.307 126.343 -7.036 17681
343 1 3 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.338 0.169 17681
344 1 3 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.205 -0.769 17681
345 1 3 . 1 1 9 9 GLU CB C 9 30.638 30.638 30.067 0.571 17681
346 1 3 . 1 1 9 9 GLU H H 9 8.132 8.132 8.594 -0.462 17681
347 1 3 . 1 1 10 10 THR N N 10 112.232 112.232 111.960 0.272 17681
348 1 3 . 1 1 10 10 THR HA H 10 4.586 4.586 4.051 0.535 17681
349 1 3 . 1 1 10 10 THR CA C 10 61.753 61.753 63.168 -1.415 17681
350 1 3 . 1 1 10 10 THR CB C 10 69.408 69.408 67.103 2.304 17681
351 1 3 . 1 1 10 10 THR H H 10 8.095 8.095 7.882 0.213 17681
352 1 3 . 1 1 11 11 CYS N N 11 119.943 119.943 119.251 0.692 17681
353 1 3 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.689 -0.156 17681
354 1 3 . 1 1 11 11 CYS CA C 11 55.588 55.588 56.349 -0.761 17681
355 1 3 . 1 1 11 11 CYS CB C 11 44.094 44.094 24.904 19.190 17681
356 1 3 . 1 1 11 11 CYS H H 11 8.344 8.344 8.248 0.096 17681
357 1 3 . 1 1 12 12 VAL N N 12 121.481 121.481 121.201 0.280 17681
358 1 3 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.182 -0.371 17681
359 1 3 . 1 1 12 12 VAL CA C 12 63.381 63.381 60.385 2.997 17681
360 1 3 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.245 -0.146 17681
361 1 3 . 1 1 12 12 VAL H H 12 7.402 7.402 7.899 -0.497 17681
362 1 3 . 1 1 13 13 ARG N N 13 129.794 129.794 120.691 9.103 17681
363 1 3 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.090 0.213 17681
364 1 3 . 1 1 13 13 ARG CA C 13 55.594 55.594 61.200 -5.606 17681
365 1 3 . 1 1 13 13 ARG CB C 13 29.255 29.255 27.957 1.298 17681
366 1 3 . 1 1 13 13 ARG H H 13 8.598 8.598 8.764 -0.166 17681
367 1 3 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.110 0.445 17681
368 1 3 . 1 1 14 14 PRO CA C 14 63.969 63.969 63.747 0.222 17681
369 1 3 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.230 2.112 17681
370 1 3 . 1 1 15 15 ARG N N 15 126.618 126.618 117.231 9.387 17681
371 1 3 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.357 -0.079 17681
372 1 3 . 1 1 15 15 ARG CA C 15 56.888 56.888 53.829 3.059 17681
373 1 3 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.383 0.156 17681
374 1 3 . 1 1 15 15 ARG H H 15 8.693 8.693 7.432 1.261 17681
375 1 3 . 1 1 16 16 LYS N N 16 119.478 119.478 121.350 -1.872 17681
376 1 3 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.106 0.435 17681
377 1 3 . 1 1 16 16 LYS CA C 16 54.204 54.204 57.192 -2.988 17681
378 1 3 . 1 1 16 16 LYS CB C 16 36.222 36.222 32.734 3.488 17681
379 1 3 . 1 1 16 16 LYS H H 16 8.609 8.609 7.300 1.309 17681
380 1 3 . 1 1 17 17 CYS N N 17 117.793 117.793 126.075 -8.282 17681
381 1 3 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.364 0.235 17681
382 1 3 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.711 -6.438 17681
383 1 3 . 1 1 17 17 CYS CB C 17 39.626 39.626 25.582 14.044 17681
384 1 3 . 1 1 17 17 CYS H H 17 8.815 8.815 8.992 -0.177 17681
385 1 3 . 1 1 18 18 GLN N N 18 125.666 125.666 125.784 -0.118 17681
386 1 3 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.198 0.070 17681
387 1 3 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.323 -4.342 17681
388 1 3 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.053 2.215 17681
389 1 3 . 1 1 18 18 GLN H H 18 9.357 9.357 8.746 0.611 17681
390 1 3 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.839 -0.107 17681
391 1 3 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.400 0.266 17681
392 1 3 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.013 1.094 17681
393 1 3 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.308 2.203 17681
394 1 3 . 1 1 21 21 LEU N N 21 122.986 122.986 122.003 0.983 17681
395 1 3 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.698 -0.514 17681
396 1 3 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.633 2.929 17681
397 1 3 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.054 -3.303 17681
398 1 3 . 1 1 21 21 LEU H H 21 8.711 8.711 7.862 0.849 17681
399 1 3 . 1 1 22 22 LYS N N 22 118.732 118.732 120.004 -1.272 17681
400 1 3 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.505 0.039 17681
401 1 3 . 1 1 22 22 LYS CA C 22 53.608 53.608 54.987 -1.379 17681
402 1 3 . 1 1 22 22 LYS CB C 22 36.331 36.331 34.538 1.793 17681
403 1 3 . 1 1 22 22 LYS H H 22 9.008 9.008 8.787 0.221 17681
404 1 3 . 1 1 23 23 CYS N N 23 123.466 123.466 123.488 -0.022 17681
405 1 3 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.618 0.092 17681
406 1 3 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.300 10.773 17681
407 1 3 . 1 1 23 23 CYS H H 23 8.650 8.650 8.912 -0.262 17681
408 1 3 . 1 1 24 24 ASN N N 24 130.764 130.764 118.535 12.229 17681
409 1 3 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.973 -0.217 17681
410 1 3 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.008 -2.083 17681
411 1 3 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.642 -0.737 17681
412 1 3 . 1 1 24 24 ASN H H 24 8.862 8.862 8.748 0.114 17681
413 1 3 . 1 1 25 25 LYS N N 25 117.853 117.853 116.989 0.864 17681
414 1 3 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.565 -0.543 17681
415 1 3 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.719 2.261 17681
416 1 3 . 1 1 25 25 LYS CB C 25 31.875 31.875 33.398 -1.522 17681
417 1 3 . 1 1 25 25 LYS H H 25 8.268 8.268 8.091 0.177 17681
418 1 3 . 1 1 26 26 ALA N N 26 122.085 122.085 123.678 -1.593 17681
419 1 3 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.439 -0.069 17681
420 1 3 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.473 -0.878 17681
421 1 3 . 1 1 26 26 ALA CB C 26 18.192 18.192 18.583 -0.391 17681
422 1 3 . 1 1 26 26 ALA H H 26 7.285 7.285 7.784 -0.499 17681
423 1 3 . 1 1 27 27 GLN N N 27 112.592 112.592 115.114 -2.522 17681
424 1 3 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.023 -0.196 17681
425 1 3 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.505 0.817 17681
426 1 3 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.986 -0.699 17681
427 1 3 . 1 1 27 27 GLN H H 27 8.217 8.217 7.947 0.270 17681
428 1 3 . 1 1 28 28 ILE N N 28 117.853 117.853 118.577 -0.724 17681
429 1 3 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.284 0.347 17681
430 1 3 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.557 -1.127 17681
431 1 3 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.617 1.245 17681
432 1 3 . 1 1 28 28 ILE H H 28 7.727 7.727 8.478 -0.751 17681
433 1 3 . 1 1 29 29 CYS N N 29 121.223 121.223 117.433 3.790 17681
434 1 3 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.259 0.706 17681
435 1 3 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.150 -5.391 17681
436 1 3 . 1 1 29 29 CYS CB C 29 40.213 40.213 25.774 14.439 17681
437 1 3 . 1 1 29 29 CYS H H 29 8.151 8.151 8.489 -0.338 17681
438 1 3 . 1 1 30 30 VAL N N 30 117.790 117.790 117.704 0.086 17681
439 1 3 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.384 0.386 17681
440 1 3 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.767 -1.879 17681
441 1 3 . 1 1 30 30 VAL CB C 30 36.172 36.172 35.129 1.043 17681
442 1 3 . 1 1 30 30 VAL H H 30 9.370 9.370 8.702 0.668 17681
443 1 3 . 1 1 31 31 ASP N N 31 122.993 122.993 117.946 5.047 17681
444 1 3 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.886 -0.141 17681
445 1 3 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.203 -2.347 17681
446 1 3 . 1 1 31 31 ASP CB C 31 42.340 42.340 43.470 -1.130 17681
447 1 3 . 1 1 31 31 ASP H H 31 9.170 9.170 8.289 0.881 17681
448 1 3 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.381 0.021 17681
449 1 3 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.995 0.278 17681
450 1 3 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.403 -0.003 17681
451 1 3 . 1 1 33 33 LYS N N 33 118.066 118.066 120.486 -2.420 17681
452 1 3 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.130 0.000 17681
453 1 3 . 1 1 33 33 LYS CA C 33 57.578 57.578 58.363 -0.785 17681
454 1 3 . 1 1 33 33 LYS H H 33 8.457 8.457 8.500 -0.043 17681
455 1 3 . 1 1 34 34 LYS N N 34 118.755 118.755 118.848 -0.093 17681
456 1 3 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.434 -0.174 17681
457 1 3 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.296 0.507 17681
458 1 3 . 1 1 34 34 LYS CB C 34 33.071 33.071 32.594 0.476 17681
459 1 3 . 1 1 34 34 LYS H H 34 7.784 7.784 8.031 -0.247 17681
460 1 3 . 1 1 35 35 GLY N N 35 108.028 108.028 111.099 -3.071 17681
461 1 3 . 1 1 35 35 GLY CA C 35 45.450 45.450 45.022 0.428 17681
462 1 3 . 1 1 35 35 GLY H H 35 7.842 7.842 7.970 -0.128 17681
463 1 4 . 1 1 2 2 PHE N N 2 120.168 120.168 120.207 -0.039 17681
464 1 4 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.374 0.421 17681
465 1 4 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.924 -1.076 17681
466 1 4 . 1 1 2 2 PHE CB C 2 39.777 39.777 37.605 2.172 17681
467 1 4 . 1 1 2 2 PHE H H 2 8.111 8.111 7.618 0.493 17681
468 1 4 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.456 0.087 17681
469 1 4 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.124 -0.743 17681
470 1 4 . 1 1 3 3 PRO CB C 3 32.059 32.059 30.320 1.739 17681
471 1 4 . 1 1 4 4 LEU N N 4 122.876 122.876 121.000 1.876 17681
472 1 4 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.828 -0.233 17681
473 1 4 . 1 1 4 4 LEU CA C 4 55.081 55.081 53.419 1.662 17681
474 1 4 . 1 1 4 4 LEU CB C 4 42.364 42.364 42.385 -0.021 17681
475 1 4 . 1 1 4 4 LEU H H 4 8.549 8.549 7.826 0.723 17681
476 1 4 . 1 1 5 5 SER N N 5 121.367 121.367 114.912 6.455 17681
477 1 4 . 1 1 5 5 SER HA H 5 4.441 4.441 4.318 0.123 17681
478 1 4 . 1 1 5 5 SER CA C 5 59.423 59.423 60.155 -0.732 17681
479 1 4 . 1 1 5 5 SER CB C 5 66.092 66.092 63.431 2.661 17681
480 1 4 . 1 1 5 5 SER H H 5 9.307 9.307 8.301 1.006 17681
481 1 4 . 1 1 6 6 LYS N N 6 122.742 122.742 120.188 2.554 17681
482 1 4 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.603 -0.380 17681
483 1 4 . 1 1 6 6 LYS CA C 6 54.220 54.220 54.444 -0.224 17681
484 1 4 . 1 1 6 6 LYS CB C 6 33.256 33.256 34.648 -1.392 17681
485 1 4 . 1 1 6 6 LYS H H 6 8.804 8.804 7.972 0.832 17681
486 1 4 . 1 1 7 7 GLU N N 7 120.659 120.659 120.130 0.529 17681
487 1 4 . 1 1 7 7 GLU HA H 7 3.266 3.266 4.032 -0.766 17681
488 1 4 . 1 1 7 7 GLU CA C 7 59.098 59.098 58.218 0.880 17681
489 1 4 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.688 -0.398 17681
490 1 4 . 1 1 7 7 GLU H H 7 8.034 8.034 8.327 -0.293 17681
491 1 4 . 1 1 8 8 TYR N N 8 116.938 116.938 125.306 -8.368 17681
492 1 4 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.033 -0.098 17681
493 1 4 . 1 1 8 8 TYR CA C 8 60.557 60.557 60.010 0.547 17681
494 1 4 . 1 1 8 8 TYR CB C 8 35.248 35.248 36.856 -1.608 17681
495 1 4 . 1 1 8 8 TYR H H 8 9.324 9.324 8.939 0.385 17681
496 1 4 . 1 1 9 9 GLU N N 9 119.307 119.307 121.128 -1.821 17681
497 1 4 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.437 0.070 17681
498 1 4 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.891 -1.455 17681
499 1 4 . 1 1 9 9 GLU CB C 9 30.638 30.638 32.517 -1.879 17681
500 1 4 . 1 1 9 9 GLU H H 9 8.132 8.132 8.553 -0.421 17681
501 1 4 . 1 1 10 10 THR N N 10 112.232 112.232 110.552 1.680 17681
502 1 4 . 1 1 10 10 THR HA H 10 4.586 4.586 4.591 -0.005 17681
503 1 4 . 1 1 10 10 THR CA C 10 61.753 61.753 61.598 0.155 17681
504 1 4 . 1 1 10 10 THR CB C 10 69.408 69.408 71.326 -1.918 17681
505 1 4 . 1 1 10 10 THR H H 10 8.095 8.095 7.956 0.139 17681
506 1 4 . 1 1 11 11 CYS N N 11 119.943 119.943 116.598 3.345 17681
507 1 4 . 1 1 11 11 CYS HA H 11 4.533 4.533 5.044 -0.511 17681
508 1 4 . 1 1 11 11 CYS CA C 11 55.588 55.588 57.952 -2.364 17681
509 1 4 . 1 1 11 11 CYS CB C 11 44.094 44.094 27.188 16.906 17681
510 1 4 . 1 1 11 11 CYS H H 11 8.344 8.344 8.125 0.219 17681
511 1 4 . 1 1 12 12 VAL N N 12 121.481 121.481 118.782 2.699 17681
512 1 4 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.303 -0.492 17681
513 1 4 . 1 1 12 12 VAL CA C 12 63.381 63.381 60.621 2.760 17681
514 1 4 . 1 1 12 12 VAL CB C 12 32.099 32.099 33.176 -1.077 17681
515 1 4 . 1 1 12 12 VAL H H 12 7.402 7.402 7.549 -0.147 17681
516 1 4 . 1 1 13 13 ARG N N 13 129.794 129.794 119.857 9.937 17681
517 1 4 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.120 0.183 17681
518 1 4 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.862 -5.268 17681
519 1 4 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.041 1.214 17681
520 1 4 . 1 1 13 13 ARG H H 13 8.598 8.598 8.615 -0.017 17681
521 1 4 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.322 0.233 17681
522 1 4 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.034 -0.065 17681
523 1 4 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.554 1.788 17681
524 1 4 . 1 1 15 15 ARG N N 15 126.618 126.618 118.175 8.443 17681
525 1 4 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.503 -0.225 17681
526 1 4 . 1 1 15 15 ARG CA C 15 56.888 56.888 55.042 1.846 17681
527 1 4 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.786 -0.247 17681
528 1 4 . 1 1 15 15 ARG H H 15 8.693 8.693 7.202 1.491 17681
529 1 4 . 1 1 16 16 LYS N N 16 119.478 119.478 120.320 -0.842 17681
530 1 4 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.240 0.301 17681
531 1 4 . 1 1 16 16 LYS CA C 16 54.204 54.204 57.113 -2.909 17681
532 1 4 . 1 1 16 16 LYS CB C 16 36.222 36.222 33.314 2.908 17681
533 1 4 . 1 1 16 16 LYS H H 16 8.609 8.609 7.432 1.177 17681
534 1 4 . 1 1 17 17 CYS N N 17 117.793 117.793 124.759 -6.966 17681
535 1 4 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.409 0.190 17681
536 1 4 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.261 -5.988 17681
537 1 4 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.266 13.360 17681
538 1 4 . 1 1 17 17 CYS H H 17 8.815 8.815 8.763 0.052 17681
539 1 4 . 1 1 18 18 GLN N N 18 125.666 125.666 127.237 -1.571 17681
540 1 4 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.270 -0.002 17681
541 1 4 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.195 -4.214 17681
542 1 4 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.449 1.819 17681
543 1 4 . 1 1 18 18 GLN H H 18 9.357 9.357 8.693 0.664 17681
544 1 4 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.487 0.245 17681
545 1 4 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.402 0.264 17681
546 1 4 . 1 1 20 20 PRO CA C 20 64.107 64.107 62.955 1.152 17681
547 1 4 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.020 2.490 17681
548 1 4 . 1 1 21 21 LEU N N 21 122.986 122.986 121.247 1.739 17681
549 1 4 . 1 1 21 21 LEU HA H 21 4.184 4.184 5.281 -1.097 17681
550 1 4 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.406 3.156 17681
551 1 4 . 1 1 21 21 LEU CB C 21 41.751 41.751 44.984 -3.233 17681
552 1 4 . 1 1 21 21 LEU H H 21 8.711 8.711 7.960 0.751 17681
553 1 4 . 1 1 22 22 LYS N N 22 118.732 118.732 119.905 -1.173 17681
554 1 4 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.481 0.063 17681
555 1 4 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.373 -1.765 17681
556 1 4 . 1 1 22 22 LYS CB C 22 36.331 36.331 34.145 2.186 17681
557 1 4 . 1 1 22 22 LYS H H 22 9.008 9.008 8.501 0.507 17681
558 1 4 . 1 1 23 23 CYS N N 23 123.466 123.466 123.460 0.006 17681
559 1 4 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.509 0.201 17681
560 1 4 . 1 1 23 23 CYS CB C 23 40.073 40.073 28.621 11.452 17681
561 1 4 . 1 1 23 23 CYS H H 23 8.650 8.650 8.857 -0.207 17681
562 1 4 . 1 1 24 24 ASN N N 24 130.764 130.764 118.487 12.277 17681
563 1 4 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.922 -0.166 17681
564 1 4 . 1 1 24 24 ASN CA C 24 51.925 51.925 53.825 -1.900 17681
565 1 4 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.590 -0.685 17681
566 1 4 . 1 1 24 24 ASN H H 24 8.862 8.862 8.572 0.290 17681
567 1 4 . 1 1 25 25 LYS N N 25 117.853 117.853 118.212 -0.359 17681
568 1 4 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.488 -0.466 17681
569 1 4 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.825 2.155 17681
570 1 4 . 1 1 25 25 LYS CB C 25 31.875 31.875 33.656 -1.781 17681
571 1 4 . 1 1 25 25 LYS H H 25 8.268 8.268 8.058 0.210 17681
572 1 4 . 1 1 26 26 ALA N N 26 122.085 122.085 123.581 -1.496 17681
573 1 4 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.392 -0.022 17681
574 1 4 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.547 -0.952 17681
575 1 4 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.011 -0.819 17681
576 1 4 . 1 1 26 26 ALA H H 26 7.285 7.285 7.813 -0.528 17681
577 1 4 . 1 1 27 27 GLN N N 27 112.592 112.592 115.885 -3.293 17681
578 1 4 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.016 -0.189 17681
579 1 4 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.394 0.928 17681
580 1 4 . 1 1 27 27 GLN CB C 27 26.287 26.287 25.969 0.318 17681
581 1 4 . 1 1 27 27 GLN H H 27 8.217 8.217 7.849 0.368 17681
582 1 4 . 1 1 28 28 ILE N N 28 117.853 117.853 118.560 -0.707 17681
583 1 4 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.107 0.524 17681
584 1 4 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.007 -0.577 17681
585 1 4 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.029 1.833 17681
586 1 4 . 1 1 28 28 ILE H H 28 7.727 7.727 8.672 -0.945 17681
587 1 4 . 1 1 29 29 CYS N N 29 121.223 121.223 117.691 3.532 17681
588 1 4 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.282 0.683 17681
589 1 4 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.262 -5.503 17681
590 1 4 . 1 1 29 29 CYS CB C 29 40.213 40.213 25.983 14.230 17681
591 1 4 . 1 1 29 29 CYS H H 29 8.151 8.151 8.489 -0.338 17681
592 1 4 . 1 1 30 30 VAL N N 30 117.790 117.790 120.333 -2.543 17681
593 1 4 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.495 0.275 17681
594 1 4 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.584 -1.696 17681
595 1 4 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.931 1.241 17681
596 1 4 . 1 1 30 30 VAL H H 30 9.370 9.370 8.773 0.597 17681
597 1 4 . 1 1 31 31 ASP N N 31 122.993 122.993 116.265 6.728 17681
598 1 4 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.831 -0.086 17681
599 1 4 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.576 -2.720 17681
600 1 4 . 1 1 31 31 ASP CB C 31 42.340 42.340 40.482 1.858 17681
601 1 4 . 1 1 31 31 ASP H H 31 9.170 9.170 8.246 0.924 17681
602 1 4 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.356 0.046 17681
603 1 4 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.851 0.422 17681
604 1 4 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.038 0.362 17681
605 1 4 . 1 1 33 33 LYS N N 33 118.066 118.066 118.468 -0.402 17681
606 1 4 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.191 -0.061 17681
607 1 4 . 1 1 33 33 LYS CA C 33 57.578 57.578 58.015 -0.437 17681
608 1 4 . 1 1 33 33 LYS H H 33 8.457 8.457 8.405 0.052 17681
609 1 4 . 1 1 34 34 LYS N N 34 118.755 118.755 118.785 -0.030 17681
610 1 4 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.461 -0.201 17681
611 1 4 . 1 1 34 34 LYS CA C 34 56.803 56.803 55.281 1.522 17681
612 1 4 . 1 1 34 34 LYS CB C 34 33.071 33.071 34.089 -1.018 17681
613 1 4 . 1 1 34 34 LYS H H 34 7.784 7.784 7.422 0.362 17681
614 1 4 . 1 1 35 35 GLY N N 35 108.028 108.028 114.544 -6.516 17681
615 1 4 . 1 1 35 35 GLY CA C 35 45.450 45.450 45.098 0.352 17681
616 1 4 . 1 1 35 35 GLY H H 35 7.842 7.842 8.623 -0.781 17681
617 1 5 . 1 1 2 2 PHE N N 2 120.168 120.168 118.091 2.077 17681
618 1 5 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.240 0.555 17681
619 1 5 . 1 1 2 2 PHE CA C 2 55.848 55.848 57.178 -1.330 17681
620 1 5 . 1 1 2 2 PHE CB C 2 39.777 39.777 37.964 1.813 17681
621 1 5 . 1 1 2 2 PHE H H 2 8.111 8.111 7.401 0.710 17681
622 1 5 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.440 0.103 17681
623 1 5 . 1 1 3 3 PRO CA C 3 62.381 62.381 62.925 -0.544 17681
624 1 5 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.695 -0.636 17681
625 1 5 . 1 1 4 4 LEU N N 4 122.876 122.876 117.091 5.785 17681
626 1 5 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.580 0.015 17681
627 1 5 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.080 0.001 17681
628 1 5 . 1 1 4 4 LEU CB C 4 42.364 42.364 44.467 -2.103 17681
629 1 5 . 1 1 4 4 LEU H H 4 8.549 8.549 8.101 0.448 17681
630 1 5 . 1 1 5 5 SER N N 5 121.367 121.367 118.216 3.151 17681
631 1 5 . 1 1 5 5 SER HA H 5 4.441 4.441 4.550 -0.109 17681
632 1 5 . 1 1 5 5 SER CA C 5 59.423 59.423 59.214 0.209 17681
633 1 5 . 1 1 5 5 SER CB C 5 66.092 66.092 63.817 2.275 17681
634 1 5 . 1 1 5 5 SER H H 5 9.307 9.307 8.426 0.881 17681
635 1 5 . 1 1 6 6 LYS N N 6 122.742 122.742 117.807 4.935 17681
636 1 5 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.371 -0.148 17681
637 1 5 . 1 1 6 6 LYS CA C 6 54.220 54.220 55.629 -1.409 17681
638 1 5 . 1 1 6 6 LYS CB C 6 33.256 33.256 33.438 -0.182 17681
639 1 5 . 1 1 6 6 LYS H H 6 8.804 8.804 8.043 0.761 17681
640 1 5 . 1 1 7 7 GLU N N 7 120.659 120.659 116.794 3.865 17681
641 1 5 . 1 1 7 7 GLU HA H 7 3.266 3.266 4.053 -0.787 17681
642 1 5 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.537 1.561 17681
643 1 5 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.522 -0.232 17681
644 1 5 . 1 1 7 7 GLU H H 7 8.034 8.034 8.598 -0.564 17681
645 1 5 . 1 1 8 8 TYR N N 8 116.938 116.938 116.693 0.245 17681
646 1 5 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.608 -0.673 17681
647 1 5 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.212 2.345 17681
648 1 5 . 1 1 8 8 TYR CB C 8 35.248 35.248 38.077 -2.829 17681
649 1 5 . 1 1 8 8 TYR H H 8 9.324 9.324 8.835 0.489 17681
650 1 5 . 1 1 9 9 GLU N N 9 119.307 119.307 125.192 -5.885 17681
651 1 5 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.464 0.043 17681
652 1 5 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.647 -1.211 17681
653 1 5 . 1 1 9 9 GLU CB C 9 30.638 30.638 31.120 -0.482 17681
654 1 5 . 1 1 9 9 GLU H H 9 8.132 8.132 8.336 -0.204 17681
655 1 5 . 1 1 10 10 THR N N 10 112.232 112.232 113.310 -1.078 17681
656 1 5 . 1 1 10 10 THR HA H 10 4.586 4.586 4.640 -0.054 17681
657 1 5 . 1 1 10 10 THR CA C 10 61.753 61.753 62.581 -0.828 17681
658 1 5 . 1 1 10 10 THR CB C 10 69.408 69.408 69.703 -0.295 17681
659 1 5 . 1 1 10 10 THR H H 10 8.095 8.095 8.273 -0.178 17681
660 1 5 . 1 1 11 11 CYS N N 11 119.943 119.943 122.392 -2.449 17681
661 1 5 . 1 1 11 11 CYS HA H 11 4.533 4.533 5.159 -0.626 17681
662 1 5 . 1 1 11 11 CYS CA C 11 55.588 55.588 56.801 -1.213 17681
663 1 5 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.747 17.347 17681
664 1 5 . 1 1 11 11 CYS H H 11 8.344 8.344 8.415 -0.071 17681
665 1 5 . 1 1 12 12 VAL N N 12 121.481 121.481 121.550 -0.069 17681
666 1 5 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.203 -0.392 17681
667 1 5 . 1 1 12 12 VAL CA C 12 63.381 63.381 62.147 1.234 17681
668 1 5 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.529 -0.430 17681
669 1 5 . 1 1 12 12 VAL H H 12 7.402 7.402 7.873 -0.471 17681
670 1 5 . 1 1 13 13 ARG N N 13 129.794 129.794 121.808 7.986 17681
671 1 5 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.146 0.157 17681
672 1 5 . 1 1 13 13 ARG CA C 13 55.594 55.594 59.470 -3.876 17681
673 1 5 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.267 0.987 17681
674 1 5 . 1 1 13 13 ARG H H 13 8.598 8.598 8.743 -0.145 17681
675 1 5 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.369 0.186 17681
676 1 5 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.272 -0.303 17681
677 1 5 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.832 1.510 17681
678 1 5 . 1 1 15 15 ARG N N 15 126.618 126.618 119.242 7.376 17681
679 1 5 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.592 -0.314 17681
680 1 5 . 1 1 15 15 ARG CA C 15 56.888 56.888 55.562 1.326 17681
681 1 5 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.187 0.352 17681
682 1 5 . 1 1 15 15 ARG H H 15 8.693 8.693 8.179 0.514 17681
683 1 5 . 1 1 16 16 LYS N N 16 119.478 119.478 122.643 -3.165 17681
684 1 5 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.531 0.010 17681
685 1 5 . 1 1 16 16 LYS CA C 16 54.204 54.204 54.620 -0.416 17681
686 1 5 . 1 1 16 16 LYS CB C 16 36.222 36.222 35.297 0.925 17681
687 1 5 . 1 1 16 16 LYS H H 16 8.609 8.609 8.060 0.549 17681
688 1 5 . 1 1 17 17 CYS N N 17 117.793 117.793 125.016 -7.223 17681
689 1 5 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.271 0.328 17681
690 1 5 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.428 -6.155 17681
691 1 5 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.270 13.356 17681
692 1 5 . 1 1 17 17 CYS H H 17 8.815 8.815 8.929 -0.114 17681
693 1 5 . 1 1 18 18 GLN N N 18 125.666 125.666 126.161 -0.495 17681
694 1 5 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.171 0.097 17681
695 1 5 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.929 -4.949 17681
696 1 5 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.263 2.005 17681
697 1 5 . 1 1 18 18 GLN H H 18 9.357 9.357 8.177 1.180 17681
698 1 5 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.797 -0.065 17681
699 1 5 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.398 0.268 17681
700 1 5 . 1 1 20 20 PRO CA C 20 64.107 64.107 62.980 1.127 17681
701 1 5 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.523 1.987 17681
702 1 5 . 1 1 21 21 LEU N N 21 122.986 122.986 122.937 0.049 17681
703 1 5 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.808 -0.624 17681
704 1 5 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.778 2.784 17681
705 1 5 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.536 -3.785 17681
706 1 5 . 1 1 21 21 LEU H H 21 8.711 8.711 7.906 0.805 17681
707 1 5 . 1 1 22 22 LYS N N 22 118.732 118.732 118.210 0.522 17681
708 1 5 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.617 -0.073 17681
709 1 5 . 1 1 22 22 LYS CA C 22 53.608 53.608 54.357 -0.749 17681
710 1 5 . 1 1 22 22 LYS CB C 22 36.331 36.331 36.267 0.065 17681
711 1 5 . 1 1 22 22 LYS H H 22 9.008 9.008 8.990 0.018 17681
712 1 5 . 1 1 23 23 CYS N N 23 123.466 123.466 118.763 4.703 17681
713 1 5 . 1 1 23 23 CYS HA H 23 4.710 4.710 5.445 -0.735 17681
714 1 5 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.383 10.690 17681
715 1 5 . 1 1 23 23 CYS H H 23 8.650 8.650 8.670 -0.020 17681
716 1 5 . 1 1 24 24 ASN N N 24 130.764 130.764 117.480 13.284 17681
717 1 5 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.738 0.018 17681
718 1 5 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.111 -2.186 17681
719 1 5 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.338 -0.433 17681
720 1 5 . 1 1 24 24 ASN H H 24 8.862 8.862 8.655 0.207 17681
721 1 5 . 1 1 25 25 LYS N N 25 117.853 117.853 117.873 -0.020 17681
722 1 5 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.509 -0.487 17681
723 1 5 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.822 2.159 17681
724 1 5 . 1 1 25 25 LYS CB C 25 31.875 31.875 31.835 0.040 17681
725 1 5 . 1 1 25 25 LYS H H 25 8.268 8.268 8.293 -0.025 17681
726 1 5 . 1 1 26 26 ALA N N 26 122.085 122.085 121.858 0.227 17681
727 1 5 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.299 0.071 17681
728 1 5 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.615 -1.020 17681
729 1 5 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.086 -0.894 17681
730 1 5 . 1 1 26 26 ALA H H 26 7.285 7.285 7.776 -0.491 17681
731 1 5 . 1 1 27 27 GLN N N 27 112.592 112.592 116.968 -4.376 17681
732 1 5 . 1 1 27 27 GLN HA H 27 3.827 3.827 3.895 -0.068 17681
733 1 5 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.689 0.633 17681
734 1 5 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.233 0.055 17681
735 1 5 . 1 1 27 27 GLN H H 27 8.217 8.217 8.325 -0.108 17681
736 1 5 . 1 1 28 28 ILE N N 28 117.853 117.853 115.484 2.369 17681
737 1 5 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.480 0.151 17681
738 1 5 . 1 1 28 28 ILE CA C 28 59.430 59.430 59.316 0.115 17681
739 1 5 . 1 1 28 28 ILE CB C 28 41.862 41.862 41.932 -0.070 17681
740 1 5 . 1 1 28 28 ILE H H 28 7.727 7.727 7.968 -0.241 17681
741 1 5 . 1 1 29 29 CYS N N 29 121.223 121.223 126.562 -5.339 17681
742 1 5 . 1 1 29 29 CYS HA H 29 4.965 4.965 5.199 -0.234 17681
743 1 5 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.093 -5.334 17681
744 1 5 . 1 1 29 29 CYS CB C 29 40.213 40.213 26.392 13.820 17681
745 1 5 . 1 1 29 29 CYS H H 29 8.151 8.151 9.037 -0.886 17681
746 1 5 . 1 1 30 30 VAL N N 30 117.790 117.790 120.123 -2.333 17681
747 1 5 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.551 0.219 17681
748 1 5 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.864 -1.976 17681
749 1 5 . 1 1 30 30 VAL CB C 30 36.172 36.172 35.134 1.038 17681
750 1 5 . 1 1 30 30 VAL H H 30 9.370 9.370 9.106 0.264 17681
751 1 5 . 1 1 31 31 ASP N N 31 122.993 122.993 116.569 6.424 17681
752 1 5 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.947 -0.202 17681
753 1 5 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.431 -2.575 17681
754 1 5 . 1 1 31 31 ASP CB C 31 42.340 42.340 43.548 -1.208 17681
755 1 5 . 1 1 31 31 ASP H H 31 9.170 9.170 8.462 0.708 17681
756 1 5 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.626 -0.224 17681
757 1 5 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.759 0.514 17681
758 1 5 . 1 1 32 32 PRO CB C 32 32.400 32.400 30.846 1.554 17681
759 1 5 . 1 1 33 33 LYS N N 33 118.066 118.066 119.114 -1.048 17681
760 1 5 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.390 -0.260 17681
761 1 5 . 1 1 33 33 LYS CA C 33 57.578 57.578 56.593 0.985 17681
762 1 5 . 1 1 33 33 LYS H H 33 8.457 8.457 8.654 -0.197 17681
763 1 5 . 1 1 34 34 LYS N N 34 118.755 118.755 120.091 -1.336 17681
764 1 5 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.584 -0.324 17681
765 1 5 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.409 0.394 17681
766 1 5 . 1 1 34 34 LYS CB C 34 33.071 33.071 34.577 -1.506 17681
767 1 5 . 1 1 34 34 LYS H H 34 7.784 7.784 7.904 -0.120 17681
768 1 5 . 1 1 35 35 GLY N N 35 108.028 108.028 112.386 -4.358 17681
769 1 5 . 1 1 35 35 GLY CA C 35 45.450 45.450 45.659 -0.209 17681
770 1 5 . 1 1 35 35 GLY H H 35 7.842 7.842 8.232 -0.390 17681
771 1 6 . 1 1 2 2 PHE N N 2 120.168 120.168 121.864 -1.696 17681
772 1 6 . 1 1 2 2 PHE HA H 2 4.795 4.795 5.018 -0.223 17681
773 1 6 . 1 1 2 2 PHE CA C 2 55.848 55.848 55.829 0.019 17681
774 1 6 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.420 0.357 17681
775 1 6 . 1 1 2 2 PHE H H 2 8.111 8.111 8.145 -0.034 17681
776 1 6 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.688 -0.145 17681
777 1 6 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.040 -0.659 17681
778 1 6 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.452 -0.393 17681
779 1 6 . 1 1 4 4 LEU N N 4 122.876 122.876 112.852 10.024 17681
780 1 6 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.759 -0.164 17681
781 1 6 . 1 1 4 4 LEU CA C 4 55.081 55.081 53.971 1.110 17681
782 1 6 . 1 1 4 4 LEU CB C 4 42.364 42.364 43.078 -0.714 17681
783 1 6 . 1 1 4 4 LEU H H 4 8.549 8.549 8.019 0.530 17681
784 1 6 . 1 1 5 5 SER N N 5 121.367 121.367 116.176 5.191 17681
785 1 6 . 1 1 5 5 SER HA H 5 4.441 4.441 4.622 -0.181 17681
786 1 6 . 1 1 5 5 SER CA C 5 59.423 59.423 57.562 1.861 17681
787 1 6 . 1 1 5 5 SER CB C 5 66.092 66.092 64.998 1.094 17681
788 1 6 . 1 1 5 5 SER H H 5 9.307 9.307 8.480 0.827 17681
789 1 6 . 1 1 6 6 LYS N N 6 122.742 122.742 123.560 -0.818 17681
790 1 6 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.295 -0.072 17681
791 1 6 . 1 1 6 6 LYS CA C 6 54.220 54.220 56.133 -1.913 17681
792 1 6 . 1 1 6 6 LYS CB C 6 33.256 33.256 32.733 0.523 17681
793 1 6 . 1 1 6 6 LYS H H 6 8.804 8.804 8.312 0.492 17681
794 1 6 . 1 1 7 7 GLU N N 7 120.659 120.659 118.657 2.002 17681
795 1 6 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.917 -0.651 17681
796 1 6 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.112 1.986 17681
797 1 6 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.455 -0.165 17681
798 1 6 . 1 1 7 7 GLU H H 7 8.034 8.034 8.470 -0.436 17681
799 1 6 . 1 1 8 8 TYR N N 8 116.938 116.938 116.270 0.668 17681
800 1 6 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.618 -0.683 17681
801 1 6 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.781 1.776 17681
802 1 6 . 1 1 8 8 TYR CB C 8 35.248 35.248 38.176 -2.928 17681
803 1 6 . 1 1 8 8 TYR H H 8 9.324 9.324 8.656 0.668 17681
804 1 6 . 1 1 9 9 GLU N N 9 119.307 119.307 125.319 -6.012 17681
805 1 6 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.404 0.103 17681
806 1 6 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.880 -1.444 17681
807 1 6 . 1 1 9 9 GLU CB C 9 30.638 30.638 31.399 -0.761 17681
808 1 6 . 1 1 9 9 GLU H H 9 8.132 8.132 8.695 -0.563 17681
809 1 6 . 1 1 10 10 THR N N 10 112.232 112.232 112.796 -0.564 17681
810 1 6 . 1 1 10 10 THR HA H 10 4.586 4.586 4.885 -0.299 17681
811 1 6 . 1 1 10 10 THR CA C 10 61.753 61.753 62.216 -0.463 17681
812 1 6 . 1 1 10 10 THR CB C 10 69.408 69.408 69.145 0.263 17681
813 1 6 . 1 1 10 10 THR H H 10 8.095 8.095 8.187 -0.092 17681
814 1 6 . 1 1 11 11 CYS N N 11 119.943 119.943 122.427 -2.484 17681
815 1 6 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.880 -0.347 17681
816 1 6 . 1 1 11 11 CYS CA C 11 55.588 55.588 56.746 -1.158 17681
817 1 6 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.470 17.624 17681
818 1 6 . 1 1 11 11 CYS H H 11 8.344 8.344 8.532 -0.188 17681
819 1 6 . 1 1 12 12 VAL N N 12 121.481 121.481 122.704 -1.223 17681
820 1 6 . 1 1 12 12 VAL HA H 12 3.811 3.811 3.822 -0.011 17681
821 1 6 . 1 1 12 12 VAL CA C 12 63.381 63.381 62.854 0.527 17681
822 1 6 . 1 1 12 12 VAL CB C 12 32.099 32.099 33.430 -1.331 17681
823 1 6 . 1 1 12 12 VAL H H 12 7.402 7.402 7.786 -0.384 17681
824 1 6 . 1 1 13 13 ARG N N 13 129.794 129.794 126.915 2.879 17681
825 1 6 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.077 0.226 17681
826 1 6 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.654 -5.060 17681
827 1 6 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.245 1.010 17681
828 1 6 . 1 1 13 13 ARG H H 13 8.598 8.598 8.792 -0.194 17681
829 1 6 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.356 0.199 17681
830 1 6 . 1 1 14 14 PRO CA C 14 63.969 63.969 63.325 0.644 17681
831 1 6 . 1 1 14 14 PRO CB C 14 33.342 33.342 30.233 3.110 17681
832 1 6 . 1 1 15 15 ARG N N 15 126.618 126.618 120.934 5.684 17681
833 1 6 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.296 -0.018 17681
834 1 6 . 1 1 15 15 ARG CA C 15 56.888 56.888 56.624 0.264 17681
835 1 6 . 1 1 15 15 ARG CB C 15 30.539 30.539 31.643 -1.104 17681
836 1 6 . 1 1 15 15 ARG H H 15 8.693 8.693 8.406 0.287 17681
837 1 6 . 1 1 16 16 LYS N N 16 119.478 119.478 120.196 -0.718 17681
838 1 6 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.045 0.496 17681
839 1 6 . 1 1 16 16 LYS CA C 16 54.204 54.204 56.869 -2.665 17681
840 1 6 . 1 1 16 16 LYS CB C 16 36.222 36.222 31.539 4.683 17681
841 1 6 . 1 1 16 16 LYS H H 16 8.609 8.609 7.924 0.685 17681
842 1 6 . 1 1 17 17 CYS N N 17 117.793 117.793 123.654 -5.861 17681
843 1 6 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.294 0.305 17681
844 1 6 . 1 1 17 17 CYS CA C 17 54.273 54.273 59.658 -5.385 17681
845 1 6 . 1 1 17 17 CYS CB C 17 39.626 39.626 27.999 11.627 17681
846 1 6 . 1 1 17 17 CYS H H 17 8.815 8.815 8.902 -0.087 17681
847 1 6 . 1 1 18 18 GLN N N 18 125.666 125.666 124.067 1.599 17681
848 1 6 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.125 0.143 17681
849 1 6 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.613 -4.632 17681
850 1 6 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.257 2.011 17681
851 1 6 . 1 1 18 18 GLN H H 18 9.357 9.357 8.679 0.678 17681
852 1 6 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.821 -0.089 17681
853 1 6 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.405 0.261 17681
854 1 6 . 1 1 20 20 PRO CA C 20 64.107 64.107 62.964 1.143 17681
855 1 6 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.033 2.477 17681
856 1 6 . 1 1 21 21 LEU N N 21 122.986 122.986 121.807 1.179 17681
857 1 6 . 1 1 21 21 LEU HA H 21 4.184 4.184 5.410 -1.226 17681
858 1 6 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.904 2.658 17681
859 1 6 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.166 -3.415 17681
860 1 6 . 1 1 21 21 LEU H H 21 8.711 8.711 8.073 0.638 17681
861 1 6 . 1 1 22 22 LYS N N 22 118.732 118.732 117.485 1.247 17681
862 1 6 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.499 0.045 17681
863 1 6 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.508 -1.900 17681
864 1 6 . 1 1 22 22 LYS CB C 22 36.331 36.331 35.967 0.364 17681
865 1 6 . 1 1 22 22 LYS H H 22 9.008 9.008 8.697 0.311 17681
866 1 6 . 1 1 23 23 CYS N N 23 123.466 123.466 119.751 3.715 17681
867 1 6 . 1 1 23 23 CYS HA H 23 4.710 4.710 5.188 -0.478 17681
868 1 6 . 1 1 23 23 CYS CB C 23 40.073 40.073 28.892 11.181 17681
869 1 6 . 1 1 23 23 CYS H H 23 8.650 8.650 8.880 -0.230 17681
870 1 6 . 1 1 24 24 ASN N N 24 130.764 130.764 118.079 12.685 17681
871 1 6 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.680 0.076 17681
872 1 6 . 1 1 24 24 ASN CA C 24 51.925 51.925 53.925 -2.000 17681
873 1 6 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.390 -0.485 17681
874 1 6 . 1 1 24 24 ASN H H 24 8.862 8.862 8.741 0.121 17681
875 1 6 . 1 1 25 25 LYS N N 25 117.853 117.853 119.826 -1.973 17681
876 1 6 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.398 -0.376 17681
877 1 6 . 1 1 25 25 LYS CA C 25 58.980 58.980 57.359 1.621 17681
878 1 6 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.134 -0.259 17681
879 1 6 . 1 1 25 25 LYS H H 25 8.268 8.268 8.027 0.241 17681
880 1 6 . 1 1 26 26 ALA N N 26 122.085 122.085 121.901 0.184 17681
881 1 6 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.473 -0.103 17681
882 1 6 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.965 -1.370 17681
883 1 6 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.925 -1.733 17681
884 1 6 . 1 1 26 26 ALA H H 26 7.285 7.285 8.212 -0.927 17681
885 1 6 . 1 1 27 27 GLN N N 27 112.592 112.592 118.646 -6.054 17681
886 1 6 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.485 -0.658 17681
887 1 6 . 1 1 27 27 GLN CA C 27 57.322 57.322 55.587 1.735 17681
888 1 6 . 1 1 27 27 GLN CB C 27 26.287 26.287 30.762 -4.475 17681
889 1 6 . 1 1 27 27 GLN H H 27 8.217 8.217 8.501 -0.284 17681
890 1 6 . 1 1 28 28 ILE N N 28 117.853 117.853 119.548 -1.695 17681
891 1 6 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.522 0.109 17681
892 1 6 . 1 1 28 28 ILE CA C 28 59.430 59.430 58.128 1.302 17681
893 1 6 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.216 1.646 17681
894 1 6 . 1 1 28 28 ILE H H 28 7.727 7.727 7.806 -0.079 17681
895 1 6 . 1 1 29 29 CYS N N 29 121.223 121.223 126.767 -5.544 17681
896 1 6 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.527 0.438 17681
897 1 6 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.283 -5.524 17681
898 1 6 . 1 1 29 29 CYS CB C 29 40.213 40.213 26.702 13.511 17681
899 1 6 . 1 1 29 29 CYS H H 29 8.151 8.151 8.993 -0.842 17681
900 1 6 . 1 1 30 30 VAL N N 30 117.790 117.790 121.115 -3.325 17681
901 1 6 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.467 0.303 17681
902 1 6 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.281 -1.393 17681
903 1 6 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.839 1.333 17681
904 1 6 . 1 1 30 30 VAL H H 30 9.370 9.370 9.042 0.328 17681
905 1 6 . 1 1 31 31 ASP N N 31 122.993 122.993 114.234 8.759 17681
906 1 6 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.934 -0.189 17681
907 1 6 . 1 1 31 31 ASP CA C 31 50.856 50.856 52.789 -1.933 17681
908 1 6 . 1 1 31 31 ASP CB C 31 42.340 42.340 40.777 1.563 17681
909 1 6 . 1 1 31 31 ASP H H 31 9.170 9.170 8.207 0.963 17681
910 1 6 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.323 0.079 17681
911 1 6 . 1 1 32 32 PRO CA C 32 64.273 64.273 64.000 0.273 17681
912 1 6 . 1 1 32 32 PRO CB C 32 32.400 32.400 31.981 0.419 17681
913 1 6 . 1 1 33 33 LYS N N 33 118.066 118.066 118.834 -0.768 17681
914 1 6 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.173 -0.043 17681
915 1 6 . 1 1 33 33 LYS CA C 33 57.578 57.578 58.121 -0.543 17681
916 1 6 . 1 1 33 33 LYS H H 33 8.457 8.457 8.252 0.205 17681
917 1 6 . 1 1 34 34 LYS N N 34 118.755 118.755 118.835 -0.080 17681
918 1 6 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.417 -0.157 17681
919 1 6 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.646 0.157 17681
920 1 6 . 1 1 34 34 LYS CB C 34 33.071 33.071 33.170 -0.099 17681
921 1 6 . 1 1 34 34 LYS H H 34 7.784 7.784 7.791 -0.007 17681
922 1 6 . 1 1 35 35 GLY N N 35 108.028 108.028 111.428 -3.400 17681
923 1 6 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.112 1.338 17681
924 1 6 . 1 1 35 35 GLY H H 35 7.842 7.842 8.074 -0.232 17681
925 1 7 . 1 1 2 2 PHE N N 2 120.168 120.168 122.480 -2.312 17681
926 1 7 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.867 -0.072 17681
927 1 7 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.177 -0.329 17681
928 1 7 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.349 0.428 17681
929 1 7 . 1 1 2 2 PHE H H 2 8.111 8.111 8.056 0.055 17681
930 1 7 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.525 0.018 17681
931 1 7 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.160 -0.779 17681
932 1 7 . 1 1 3 3 PRO CB C 3 32.059 32.059 31.686 0.373 17681
933 1 7 . 1 1 4 4 LEU N N 4 122.876 122.876 127.874 -4.998 17681
934 1 7 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.453 0.142 17681
935 1 7 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.708 -0.626 17681
936 1 7 . 1 1 4 4 LEU CB C 4 42.364 42.364 43.249 -0.886 17681
937 1 7 . 1 1 4 4 LEU H H 4 8.549 8.549 8.014 0.535 17681
938 1 7 . 1 1 5 5 SER N N 5 121.367 121.367 111.674 9.693 17681
939 1 7 . 1 1 5 5 SER HA H 5 4.441 4.441 4.040 0.401 17681
940 1 7 . 1 1 5 5 SER CA C 5 59.423 59.423 59.096 0.327 17681
941 1 7 . 1 1 5 5 SER CB C 5 66.092 66.092 63.353 2.739 17681
942 1 7 . 1 1 5 5 SER H H 5 9.307 9.307 8.377 0.930 17681
943 1 7 . 1 1 6 6 LYS N N 6 122.742 122.742 119.777 2.965 17681
944 1 7 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.531 -0.308 17681
945 1 7 . 1 1 6 6 LYS CA C 6 54.220 54.220 54.763 -0.543 17681
946 1 7 . 1 1 6 6 LYS CB C 6 33.256 33.256 34.380 -1.124 17681
947 1 7 . 1 1 6 6 LYS H H 6 8.804 8.804 8.261 0.543 17681
948 1 7 . 1 1 7 7 GLU N N 7 120.659 120.659 117.786 2.873 17681
949 1 7 . 1 1 7 7 GLU HA H 7 3.266 3.266 4.008 -0.742 17681
950 1 7 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.562 1.536 17681
951 1 7 . 1 1 7 7 GLU CB C 7 29.290 29.290 30.120 -0.830 17681
952 1 7 . 1 1 7 7 GLU H H 7 8.034 8.034 8.494 -0.460 17681
953 1 7 . 1 1 8 8 TYR N N 8 116.938 116.938 116.571 0.367 17681
954 1 7 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.564 -0.629 17681
955 1 7 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.751 1.806 17681
956 1 7 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.986 -2.738 17681
957 1 7 . 1 1 8 8 TYR H H 8 9.324 9.324 8.965 0.359 17681
958 1 7 . 1 1 9 9 GLU N N 9 119.307 119.307 125.746 -6.439 17681
959 1 7 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.469 0.038 17681
960 1 7 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.392 -0.956 17681
961 1 7 . 1 1 9 9 GLU CB C 9 30.638 30.638 32.175 -1.538 17681
962 1 7 . 1 1 9 9 GLU H H 9 8.132 8.132 8.489 -0.357 17681
963 1 7 . 1 1 10 10 THR N N 10 112.232 112.232 112.462 -0.230 17681
964 1 7 . 1 1 10 10 THR HA H 10 4.586 4.586 4.846 -0.260 17681
965 1 7 . 1 1 10 10 THR CA C 10 61.753 61.753 61.928 -0.175 17681
966 1 7 . 1 1 10 10 THR CB C 10 69.408 69.408 70.072 -0.664 17681
967 1 7 . 1 1 10 10 THR H H 10 8.095 8.095 8.366 -0.271 17681
968 1 7 . 1 1 11 11 CYS N N 11 119.943 119.943 123.202 -3.259 17681
969 1 7 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.852 -0.319 17681
970 1 7 . 1 1 11 11 CYS CA C 11 55.588 55.588 56.804 -1.216 17681
971 1 7 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.332 17.762 17681
972 1 7 . 1 1 11 11 CYS H H 11 8.344 8.344 8.584 -0.240 17681
973 1 7 . 1 1 12 12 VAL N N 12 121.481 121.481 123.185 -1.704 17681
974 1 7 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.056 -0.245 17681
975 1 7 . 1 1 12 12 VAL CA C 12 63.381 63.381 59.992 3.389 17681
976 1 7 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.270 -0.171 17681
977 1 7 . 1 1 12 12 VAL H H 12 7.402 7.402 8.074 -0.672 17681
978 1 7 . 1 1 13 13 ARG N N 13 129.794 129.794 122.551 7.243 17681
979 1 7 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.030 0.273 17681
980 1 7 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.483 -4.889 17681
981 1 7 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.183 1.072 17681
982 1 7 . 1 1 13 13 ARG H H 13 8.598 8.598 8.703 -0.105 17681
983 1 7 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.330 0.225 17681
984 1 7 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.330 -0.361 17681
985 1 7 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.566 1.776 17681
986 1 7 . 1 1 15 15 ARG N N 15 126.618 126.618 119.554 7.064 17681
987 1 7 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.039 0.239 17681
988 1 7 . 1 1 15 15 ARG CA C 15 56.888 56.888 57.789 -0.901 17681
989 1 7 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.360 0.178 17681
990 1 7 . 1 1 15 15 ARG H H 15 8.693 8.693 7.820 0.873 17681
991 1 7 . 1 1 16 16 LYS N N 16 119.478 119.478 118.142 1.336 17681
992 1 7 . 1 1 16 16 LYS HA H 16 4.541 4.541 3.927 0.614 17681
993 1 7 . 1 1 16 16 LYS CA C 16 54.204 54.204 56.402 -2.198 17681
994 1 7 . 1 1 16 16 LYS CB C 16 36.222 36.222 31.965 4.257 17681
995 1 7 . 1 1 16 16 LYS H H 16 8.609 8.609 7.946 0.663 17681
996 1 7 . 1 1 17 17 CYS N N 17 117.793 117.793 122.868 -5.075 17681
997 1 7 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.282 0.317 17681
998 1 7 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.495 -6.222 17681
999 1 7 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.957 12.669 17681
1000 1 7 . 1 1 17 17 CYS H H 17 8.815 8.815 8.840 -0.025 17681
1001 1 7 . 1 1 18 18 GLN N N 18 125.666 125.666 125.542 0.124 17681
1002 1 7 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.377 -0.109 17681
1003 1 7 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.527 -4.546 17681
1004 1 7 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.794 1.474 17681
1005 1 7 . 1 1 18 18 GLN H H 18 9.357 9.357 8.806 0.551 17681
1006 1 7 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.790 -0.058 17681
1007 1 7 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.406 0.260 17681
1008 1 7 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.009 1.098 17681
1009 1 7 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.163 2.347 17681
1010 1 7 . 1 1 21 21 LEU N N 21 122.986 122.986 121.654 1.332 17681
1011 1 7 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.636 -0.452 17681
1012 1 7 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.535 3.027 17681
1013 1 7 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.401 -3.650 17681
1014 1 7 . 1 1 21 21 LEU H H 21 8.711 8.711 8.016 0.695 17681
1015 1 7 . 1 1 22 22 LYS N N 22 118.732 118.732 118.653 0.079 17681
1016 1 7 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.552 -0.008 17681
1017 1 7 . 1 1 22 22 LYS CA C 22 53.608 53.608 54.924 -1.316 17681
1018 1 7 . 1 1 22 22 LYS CB C 22 36.331 36.331 36.324 0.007 17681
1019 1 7 . 1 1 22 22 LYS H H 22 9.008 9.008 8.883 0.125 17681
1020 1 7 . 1 1 23 23 CYS N N 23 123.466 123.466 119.078 4.388 17681
1021 1 7 . 1 1 23 23 CYS HA H 23 4.710 4.710 5.451 -0.741 17681
1022 1 7 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.863 10.210 17681
1023 1 7 . 1 1 23 23 CYS H H 23 8.650 8.650 8.926 -0.276 17681
1024 1 7 . 1 1 24 24 ASN N N 24 130.764 130.764 117.847 12.917 17681
1025 1 7 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.766 -0.010 17681
1026 1 7 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.302 -2.377 17681
1027 1 7 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.493 -0.588 17681
1028 1 7 . 1 1 24 24 ASN H H 24 8.862 8.862 8.910 -0.048 17681
1029 1 7 . 1 1 25 25 LYS N N 25 117.853 117.853 118.368 -0.515 17681
1030 1 7 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.428 -0.406 17681
1031 1 7 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.667 2.313 17681
1032 1 7 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.593 -0.717 17681
1033 1 7 . 1 1 25 25 LYS H H 25 8.268 8.268 7.910 0.358 17681
1034 1 7 . 1 1 26 26 ALA N N 26 122.085 122.085 123.661 -1.576 17681
1035 1 7 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.403 -0.033 17681
1036 1 7 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.363 -0.768 17681
1037 1 7 . 1 1 26 26 ALA CB C 26 18.192 18.192 18.566 -0.374 17681
1038 1 7 . 1 1 26 26 ALA H H 26 7.285 7.285 8.083 -0.798 17681
1039 1 7 . 1 1 27 27 GLN N N 27 112.592 112.592 114.562 -1.970 17681
1040 1 7 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.037 -0.210 17681
1041 1 7 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.450 0.872 17681
1042 1 7 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.067 0.220 17681
1043 1 7 . 1 1 27 27 GLN H H 27 8.217 8.217 8.195 0.022 17681
1044 1 7 . 1 1 28 28 ILE N N 28 117.853 117.853 116.215 1.638 17681
1045 1 7 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.550 0.081 17681
1046 1 7 . 1 1 28 28 ILE CA C 28 59.430 59.430 57.922 1.508 17681
1047 1 7 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.404 1.458 17681
1048 1 7 . 1 1 28 28 ILE H H 28 7.727 7.727 8.253 -0.526 17681
1049 1 7 . 1 1 29 29 CYS N N 29 121.223 121.223 127.311 -6.088 17681
1050 1 7 . 1 1 29 29 CYS HA H 29 4.965 4.965 5.139 -0.174 17681
1051 1 7 . 1 1 29 29 CYS CA C 29 54.759 54.759 59.790 -5.031 17681
1052 1 7 . 1 1 29 29 CYS CB C 29 40.213 40.213 27.285 12.928 17681
1053 1 7 . 1 1 29 29 CYS H H 29 8.151 8.151 9.092 -0.941 17681
1054 1 7 . 1 1 30 30 VAL N N 30 117.790 117.790 119.762 -1.972 17681
1055 1 7 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.576 0.194 17681
1056 1 7 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.014 -1.126 17681
1057 1 7 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.627 1.545 17681
1058 1 7 . 1 1 30 30 VAL H H 30 9.370 9.370 9.120 0.250 17681
1059 1 7 . 1 1 31 31 ASP N N 31 122.993 122.993 116.548 6.445 17681
1060 1 7 . 1 1 31 31 ASP HA H 31 4.745 4.745 5.022 -0.277 17681
1061 1 7 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.227 -2.371 17681
1062 1 7 . 1 1 31 31 ASP CB C 31 42.340 42.340 43.873 -1.533 17681
1063 1 7 . 1 1 31 31 ASP H H 31 9.170 9.170 8.402 0.768 17681
1064 1 7 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.404 -0.002 17681
1065 1 7 . 1 1 32 32 PRO CA C 32 64.273 64.273 64.446 -0.173 17681
1066 1 7 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.067 0.333 17681
1067 1 7 . 1 1 33 33 LYS N N 33 118.066 118.066 118.545 -0.479 17681
1068 1 7 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.233 -0.103 17681
1069 1 7 . 1 1 33 33 LYS CA C 33 57.578 57.578 57.937 -0.359 17681
1070 1 7 . 1 1 33 33 LYS H H 33 8.457 8.457 8.411 0.046 17681
1071 1 7 . 1 1 34 34 LYS N N 34 118.755 118.755 119.434 -0.679 17681
1072 1 7 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.451 -0.191 17681
1073 1 7 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.052 0.751 17681
1074 1 7 . 1 1 34 34 LYS CB C 34 33.071 33.071 33.120 -0.049 17681
1075 1 7 . 1 1 34 34 LYS H H 34 7.784 7.784 7.765 0.019 17681
1076 1 7 . 1 1 35 35 GLY N N 35 108.028 108.028 112.810 -4.782 17681
1077 1 7 . 1 1 35 35 GLY CA C 35 45.450 45.450 45.295 0.155 17681
1078 1 7 . 1 1 35 35 GLY H H 35 7.842 7.842 8.450 -0.608 17681
1079 1 8 . 1 1 2 2 PHE N N 2 120.168 120.168 117.304 2.864 17681
1080 1 8 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.381 0.414 17681
1081 1 8 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.672 -0.824 17681
1082 1 8 . 1 1 2 2 PHE CB C 2 39.777 39.777 37.825 1.952 17681
1083 1 8 . 1 1 2 2 PHE H H 2 8.111 8.111 8.008 0.103 17681
1084 1 8 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.535 0.008 17681
1085 1 8 . 1 1 3 3 PRO CA C 3 62.381 62.381 62.775 -0.394 17681
1086 1 8 . 1 1 3 3 PRO CB C 3 32.059 32.059 31.131 0.928 17681
1087 1 8 . 1 1 4 4 LEU N N 4 122.876 122.876 122.797 0.079 17681
1088 1 8 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.657 -0.062 17681
1089 1 8 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.443 -0.362 17681
1090 1 8 . 1 1 4 4 LEU CB C 4 42.364 42.364 42.785 -0.421 17681
1091 1 8 . 1 1 4 4 LEU H H 4 8.549 8.549 7.843 0.706 17681
1092 1 8 . 1 1 5 5 SER N N 5 121.367 121.367 114.114 7.253 17681
1093 1 8 . 1 1 5 5 SER HA H 5 4.441 4.441 4.607 -0.166 17681
1094 1 8 . 1 1 5 5 SER CA C 5 59.423 59.423 57.589 1.834 17681
1095 1 8 . 1 1 5 5 SER CB C 5 66.092 66.092 65.975 0.117 17681
1096 1 8 . 1 1 5 5 SER H H 5 9.307 9.307 8.237 1.070 17681
1097 1 8 . 1 1 6 6 LYS N N 6 122.742 122.742 124.570 -1.828 17681
1098 1 8 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.161 0.062 17681
1099 1 8 . 1 1 6 6 LYS CA C 6 54.220 54.220 56.423 -2.203 17681
1100 1 8 . 1 1 6 6 LYS CB C 6 33.256 33.256 32.968 0.288 17681
1101 1 8 . 1 1 6 6 LYS H H 6 8.804 8.804 8.691 0.113 17681
1102 1 8 . 1 1 7 7 GLU N N 7 120.659 120.659 118.695 1.964 17681
1103 1 8 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.689 -0.423 17681
1104 1 8 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.861 1.237 17681
1105 1 8 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.373 -0.083 17681
1106 1 8 . 1 1 7 7 GLU H H 7 8.034 8.034 8.061 -0.027 17681
1107 1 8 . 1 1 8 8 TYR N N 8 116.938 116.938 122.064 -5.126 17681
1108 1 8 . 1 1 8 8 TYR HA H 8 3.935 3.935 3.919 0.016 17681
1109 1 8 . 1 1 8 8 TYR CA C 8 60.557 60.557 59.380 1.177 17681
1110 1 8 . 1 1 8 8 TYR CB C 8 35.248 35.248 36.833 -1.585 17681
1111 1 8 . 1 1 8 8 TYR H H 8 9.324 9.324 8.496 0.828 17681
1112 1 8 . 1 1 9 9 GLU N N 9 119.307 119.307 116.953 2.354 17681
1113 1 8 . 1 1 9 9 GLU HA H 9 4.507 4.507 3.970 0.537 17681
1114 1 8 . 1 1 9 9 GLU CA C 9 55.436 55.436 58.810 -3.374 17681
1115 1 8 . 1 1 9 9 GLU CB C 9 30.638 30.638 29.562 1.076 17681
1116 1 8 . 1 1 9 9 GLU H H 9 8.132 8.132 8.746 -0.614 17681
1117 1 8 . 1 1 10 10 THR N N 10 112.232 112.232 110.332 1.900 17681
1118 1 8 . 1 1 10 10 THR HA H 10 4.586 4.586 4.652 -0.066 17681
1119 1 8 . 1 1 10 10 THR CA C 10 61.753 61.753 61.359 0.393 17681
1120 1 8 . 1 1 10 10 THR CB C 10 69.408 69.408 70.025 -0.617 17681
1121 1 8 . 1 1 10 10 THR H H 10 8.095 8.095 8.319 -0.224 17681
1122 1 8 . 1 1 11 11 CYS N N 11 119.943 119.943 119.220 0.723 17681
1123 1 8 . 1 1 11 11 CYS HA H 11 4.533 4.533 5.147 -0.614 17681
1124 1 8 . 1 1 11 11 CYS CA C 11 55.588 55.588 57.159 -1.571 17681
1125 1 8 . 1 1 11 11 CYS CB C 11 44.094 44.094 27.118 16.976 17681
1126 1 8 . 1 1 11 11 CYS H H 11 8.344 8.344 8.519 -0.175 17681
1127 1 8 . 1 1 12 12 VAL N N 12 121.481 121.481 119.224 2.257 17681
1128 1 8 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.025 -0.214 17681
1129 1 8 . 1 1 12 12 VAL CA C 12 63.381 63.381 62.787 0.594 17681
1130 1 8 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.002 0.097 17681
1131 1 8 . 1 1 12 12 VAL H H 12 7.402 7.402 7.273 0.129 17681
1132 1 8 . 1 1 13 13 ARG N N 13 129.794 129.794 121.009 8.785 17681
1133 1 8 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.116 0.187 17681
1134 1 8 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.547 -4.953 17681
1135 1 8 . 1 1 13 13 ARG CB C 13 29.255 29.255 27.702 1.553 17681
1136 1 8 . 1 1 13 13 ARG H H 13 8.598 8.598 8.877 -0.279 17681
1137 1 8 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.617 -0.062 17681
1138 1 8 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.030 -0.061 17681
1139 1 8 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.526 1.816 17681
1140 1 8 . 1 1 15 15 ARG N N 15 126.618 126.618 118.766 7.852 17681
1141 1 8 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.947 -0.669 17681
1142 1 8 . 1 1 15 15 ARG CA C 15 56.888 56.888 53.579 3.309 17681
1143 1 8 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.420 0.119 17681
1144 1 8 . 1 1 15 15 ARG H H 15 8.693 8.693 7.649 1.044 17681
1145 1 8 . 1 1 16 16 LYS N N 16 119.478 119.478 119.219 0.259 17681
1146 1 8 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.117 0.424 17681
1147 1 8 . 1 1 16 16 LYS CA C 16 54.204 54.204 56.907 -2.703 17681
1148 1 8 . 1 1 16 16 LYS CB C 16 36.222 36.222 32.494 3.728 17681
1149 1 8 . 1 1 16 16 LYS H H 16 8.609 8.609 7.350 1.259 17681
1150 1 8 . 1 1 17 17 CYS N N 17 117.793 117.793 123.571 -5.778 17681
1151 1 8 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.526 0.073 17681
1152 1 8 . 1 1 17 17 CYS CA C 17 54.273 54.273 59.962 -5.689 17681
1153 1 8 . 1 1 17 17 CYS CB C 17 39.626 39.626 25.266 14.360 17681
1154 1 8 . 1 1 17 17 CYS H H 17 8.815 8.815 8.809 0.006 17681
1155 1 8 . 1 1 18 18 GLN N N 18 125.666 125.666 128.156 -2.490 17681
1156 1 8 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.219 0.049 17681
1157 1 8 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.249 -4.268 17681
1158 1 8 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.742 1.526 17681
1159 1 8 . 1 1 18 18 GLN H H 18 9.357 9.357 8.723 0.634 17681
1160 1 8 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.582 0.150 17681
1161 1 8 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.390 0.276 17681
1162 1 8 . 1 1 20 20 PRO CA C 20 64.107 64.107 62.934 1.173 17681
1163 1 8 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.182 2.328 17681
1164 1 8 . 1 1 21 21 LEU N N 21 122.986 122.986 121.534 1.452 17681
1165 1 8 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.854 -0.670 17681
1166 1 8 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.497 3.065 17681
1167 1 8 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.294 -3.542 17681
1168 1 8 . 1 1 21 21 LEU H H 21 8.711 8.711 7.957 0.754 17681
1169 1 8 . 1 1 22 22 LYS N N 22 118.732 118.732 119.431 -0.699 17681
1170 1 8 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.506 0.038 17681
1171 1 8 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.305 -1.697 17681
1172 1 8 . 1 1 22 22 LYS CB C 22 36.331 36.331 35.060 1.271 17681
1173 1 8 . 1 1 22 22 LYS H H 22 9.008 9.008 8.670 0.338 17681
1174 1 8 . 1 1 23 23 CYS N N 23 123.466 123.466 122.007 1.459 17681
1175 1 8 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.554 0.156 17681
1176 1 8 . 1 1 23 23 CYS CB C 23 40.073 40.073 28.716 11.357 17681
1177 1 8 . 1 1 23 23 CYS H H 23 8.650 8.650 8.891 -0.241 17681
1178 1 8 . 1 1 24 24 ASN N N 24 130.764 130.764 118.667 12.097 17681
1179 1 8 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.931 -0.175 17681
1180 1 8 . 1 1 24 24 ASN CA C 24 51.925 51.925 53.545 -1.620 17681
1181 1 8 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.034 -0.129 17681
1182 1 8 . 1 1 24 24 ASN H H 24 8.862 8.862 8.846 0.016 17681
1183 1 8 . 1 1 25 25 LYS N N 25 117.853 117.853 116.539 1.314 17681
1184 1 8 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.408 -0.386 17681
1185 1 8 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.649 2.331 17681
1186 1 8 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.509 -0.634 17681
1187 1 8 . 1 1 25 25 LYS H H 25 8.268 8.268 8.047 0.221 17681
1188 1 8 . 1 1 26 26 ALA N N 26 122.085 122.085 123.358 -1.273 17681
1189 1 8 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.486 -0.116 17681
1190 1 8 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.270 -0.675 17681
1191 1 8 . 1 1 26 26 ALA CB C 26 18.192 18.192 18.915 -0.723 17681
1192 1 8 . 1 1 26 26 ALA H H 26 7.285 7.285 8.091 -0.806 17681
1193 1 8 . 1 1 27 27 GLN N N 27 112.592 112.592 115.643 -3.051 17681
1194 1 8 . 1 1 27 27 GLN HA H 27 3.827 3.827 3.954 -0.127 17681
1195 1 8 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.324 0.998 17681
1196 1 8 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.576 -0.289 17681
1197 1 8 . 1 1 27 27 GLN H H 27 8.217 8.217 8.092 0.125 17681
1198 1 8 . 1 1 28 28 ILE N N 28 117.853 117.853 117.920 -0.067 17681
1199 1 8 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.290 0.341 17681
1200 1 8 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.552 -1.122 17681
1201 1 8 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.788 1.074 17681
1202 1 8 . 1 1 28 28 ILE H H 28 7.727 7.727 8.313 -0.586 17681
1203 1 8 . 1 1 29 29 CYS N N 29 121.223 121.223 117.720 3.503 17681
1204 1 8 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.329 0.636 17681
1205 1 8 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.160 -5.401 17681
1206 1 8 . 1 1 29 29 CYS CB C 29 40.213 40.213 26.147 14.066 17681
1207 1 8 . 1 1 29 29 CYS H H 29 8.151 8.151 8.468 -0.317 17681
1208 1 8 . 1 1 30 30 VAL N N 30 117.790 117.790 120.147 -2.357 17681
1209 1 8 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.391 0.379 17681
1210 1 8 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.142 -1.254 17681
1211 1 8 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.887 1.285 17681
1212 1 8 . 1 1 30 30 VAL H H 30 9.370 9.370 8.780 0.590 17681
1213 1 8 . 1 1 31 31 ASP N N 31 122.993 122.993 118.950 4.043 17681
1214 1 8 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.961 -0.216 17681
1215 1 8 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.891 -3.035 17681
1216 1 8 . 1 1 31 31 ASP CB C 31 42.340 42.340 42.036 0.304 17681
1217 1 8 . 1 1 31 31 ASP H H 31 9.170 9.170 8.553 0.617 17681
1218 1 8 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.535 -0.133 17681
1219 1 8 . 1 1 32 32 PRO CA C 32 64.273 64.273 64.056 0.217 17681
1220 1 8 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.264 0.136 17681
1221 1 8 . 1 1 33 33 LYS N N 33 118.066 118.066 118.334 -0.268 17681
1222 1 8 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.148 -0.018 17681
1223 1 8 . 1 1 33 33 LYS CA C 33 57.578 57.578 57.832 -0.254 17681
1224 1 8 . 1 1 33 33 LYS H H 33 8.457 8.457 8.023 0.434 17681
1225 1 8 . 1 1 34 34 LYS N N 34 118.755 118.755 116.314 2.441 17681
1226 1 8 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.380 -0.120 17681
1227 1 8 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.496 0.307 17681
1228 1 8 . 1 1 34 34 LYS CB C 34 33.071 33.071 32.923 0.148 17681
1229 1 8 . 1 1 34 34 LYS H H 34 7.784 7.784 7.543 0.241 17681
1230 1 8 . 1 1 35 35 GLY N N 35 108.028 108.028 107.980 0.048 17681
1231 1 8 . 1 1 35 35 GLY CA C 35 45.450 45.450 45.368 0.082 17681
1232 1 8 . 1 1 35 35 GLY H H 35 7.842 7.842 8.008 -0.166 17681
1233 1 9 . 1 1 2 2 PHE N N 2 120.168 120.168 121.656 -1.488 17681
1234 1 9 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.834 -0.039 17681
1235 1 9 . 1 1 2 2 PHE CA C 2 55.848 55.848 55.043 0.805 17681
1236 1 9 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.047 0.730 17681
1237 1 9 . 1 1 2 2 PHE H H 2 8.111 8.111 7.570 0.541 17681
1238 1 9 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.531 0.012 17681
1239 1 9 . 1 1 3 3 PRO CA C 3 62.381 62.381 62.797 -0.416 17681
1240 1 9 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.113 -0.054 17681
1241 1 9 . 1 1 4 4 LEU N N 4 122.876 122.876 117.438 5.438 17681
1242 1 9 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.734 -0.139 17681
1243 1 9 . 1 1 4 4 LEU CA C 4 55.081 55.081 54.203 0.878 17681
1244 1 9 . 1 1 4 4 LEU CB C 4 42.364 42.364 43.162 -0.798 17681
1245 1 9 . 1 1 4 4 LEU H H 4 8.549 8.549 7.852 0.697 17681
1246 1 9 . 1 1 5 5 SER N N 5 121.367 121.367 115.284 6.083 17681
1247 1 9 . 1 1 5 5 SER HA H 5 4.441 4.441 4.761 -0.320 17681
1248 1 9 . 1 1 5 5 SER CA C 5 59.423 59.423 58.322 1.101 17681
1249 1 9 . 1 1 5 5 SER CB C 5 66.092 66.092 63.985 2.107 17681
1250 1 9 . 1 1 5 5 SER H H 5 9.307 9.307 8.368 0.939 17681
1251 1 9 . 1 1 6 6 LYS N N 6 122.742 122.742 117.745 4.997 17681
1252 1 9 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.538 -0.315 17681
1253 1 9 . 1 1 6 6 LYS CA C 6 54.220 54.220 55.496 -1.276 17681
1254 1 9 . 1 1 6 6 LYS CB C 6 33.256 33.256 34.388 -1.132 17681
1255 1 9 . 1 1 6 6 LYS H H 6 8.804 8.804 8.134 0.670 17681
1256 1 9 . 1 1 7 7 GLU N N 7 120.659 120.659 117.682 2.977 17681
1257 1 9 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.883 -0.617 17681
1258 1 9 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.567 1.531 17681
1259 1 9 . 1 1 7 7 GLU CB C 7 29.290 29.290 28.939 0.351 17681
1260 1 9 . 1 1 7 7 GLU H H 7 8.034 8.034 8.649 -0.615 17681
1261 1 9 . 1 1 8 8 TYR N N 8 116.938 116.938 114.145 2.793 17681
1262 1 9 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.536 -0.601 17681
1263 1 9 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.786 1.771 17681
1264 1 9 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.753 -2.505 17681
1265 1 9 . 1 1 8 8 TYR H H 8 9.324 9.324 8.269 1.055 17681
1266 1 9 . 1 1 9 9 GLU N N 9 119.307 119.307 119.828 -0.521 17681
1267 1 9 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.042 0.465 17681
1268 1 9 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.831 -1.395 17681
1269 1 9 . 1 1 9 9 GLU CB C 9 30.638 30.638 30.216 0.422 17681
1270 1 9 . 1 1 9 9 GLU H H 9 8.132 8.132 7.032 1.100 17681
1271 1 9 . 1 1 10 10 THR N N 10 112.232 112.232 114.580 -2.348 17681
1272 1 9 . 1 1 10 10 THR HA H 10 4.586 4.586 4.283 0.303 17681
1273 1 9 . 1 1 10 10 THR CA C 10 61.753 61.753 62.867 -1.114 17681
1274 1 9 . 1 1 10 10 THR CB C 10 69.408 69.408 69.902 -0.494 17681
1275 1 9 . 1 1 10 10 THR H H 10 8.095 8.095 8.513 -0.418 17681
1276 1 9 . 1 1 11 11 CYS N N 11 119.943 119.943 121.586 -1.643 17681
1277 1 9 . 1 1 11 11 CYS HA H 11 4.533 4.533 5.080 -0.547 17681
1278 1 9 . 1 1 11 11 CYS CA C 11 55.588 55.588 55.284 0.304 17681
1279 1 9 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.180 17.914 17681
1280 1 9 . 1 1 11 11 CYS H H 11 8.344 8.344 8.203 0.141 17681
1281 1 9 . 1 1 12 12 VAL N N 12 121.481 121.481 118.226 3.255 17681
1282 1 9 . 1 1 12 12 VAL HA H 12 3.811 3.811 3.997 -0.186 17681
1283 1 9 . 1 1 12 12 VAL CA C 12 63.381 63.381 62.384 0.997 17681
1284 1 9 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.428 -0.329 17681
1285 1 9 . 1 1 12 12 VAL H H 12 7.402 7.402 7.261 0.141 17681
1286 1 9 . 1 1 13 13 ARG N N 13 129.794 129.794 120.205 9.589 17681
1287 1 9 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.107 0.196 17681
1288 1 9 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.864 -5.270 17681
1289 1 9 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.125 1.130 17681
1290 1 9 . 1 1 13 13 ARG H H 13 8.598 8.598 8.720 -0.122 17681
1291 1 9 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.360 0.195 17681
1292 1 9 . 1 1 14 14 PRO CA C 14 63.969 63.969 63.911 0.058 17681
1293 1 9 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.502 1.840 17681
1294 1 9 . 1 1 15 15 ARG N N 15 126.618 126.618 119.058 7.560 17681
1295 1 9 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.443 -0.165 17681
1296 1 9 . 1 1 15 15 ARG CA C 15 56.888 56.888 53.724 3.164 17681
1297 1 9 . 1 1 15 15 ARG CB C 15 30.539 30.539 29.881 0.658 17681
1298 1 9 . 1 1 15 15 ARG H H 15 8.693 8.693 7.240 1.453 17681
1299 1 9 . 1 1 16 16 LYS N N 16 119.478 119.478 120.858 -1.380 17681
1300 1 9 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.111 0.430 17681
1301 1 9 . 1 1 16 16 LYS CA C 16 54.204 54.204 57.042 -2.838 17681
1302 1 9 . 1 1 16 16 LYS CB C 16 36.222 36.222 32.228 3.994 17681
1303 1 9 . 1 1 16 16 LYS H H 16 8.609 8.609 7.475 1.134 17681
1304 1 9 . 1 1 17 17 CYS N N 17 117.793 117.793 125.556 -7.763 17681
1305 1 9 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.410 0.189 17681
1306 1 9 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.246 -5.973 17681
1307 1 9 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.933 12.694 17681
1308 1 9 . 1 1 17 17 CYS H H 17 8.815 8.815 8.770 0.045 17681
1309 1 9 . 1 1 18 18 GLN N N 18 125.666 125.666 126.093 -0.427 17681
1310 1 9 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.283 -0.015 17681
1311 1 9 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.547 -4.566 17681
1312 1 9 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.562 1.706 17681
1313 1 9 . 1 1 18 18 GLN H H 18 9.357 9.357 8.669 0.688 17681
1314 1 9 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.751 -0.019 17681
1315 1 9 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.407 0.259 17681
1316 1 9 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.023 1.085 17681
1317 1 9 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.045 2.465 17681
1318 1 9 . 1 1 21 21 LEU N N 21 122.986 122.986 121.603 1.383 17681
1319 1 9 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.595 -0.411 17681
1320 1 9 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.639 2.923 17681
1321 1 9 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.166 -3.416 17681
1322 1 9 . 1 1 21 21 LEU H H 21 8.711 8.711 8.021 0.690 17681
1323 1 9 . 1 1 22 22 LYS N N 22 118.732 118.732 119.050 -0.318 17681
1324 1 9 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.531 0.013 17681
1325 1 9 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.269 -1.661 17681
1326 1 9 . 1 1 22 22 LYS CB C 22 36.331 36.331 35.042 1.289 17681
1327 1 9 . 1 1 22 22 LYS H H 22 9.008 9.008 8.690 0.318 17681
1328 1 9 . 1 1 23 23 CYS N N 23 123.466 123.466 121.944 1.522 17681
1329 1 9 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.564 0.146 17681
1330 1 9 . 1 1 23 23 CYS CB C 23 40.073 40.073 28.577 11.496 17681
1331 1 9 . 1 1 23 23 CYS H H 23 8.650 8.650 8.973 -0.323 17681
1332 1 9 . 1 1 24 24 ASN N N 24 130.764 130.764 118.339 12.425 17681
1333 1 9 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.641 0.115 17681
1334 1 9 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.269 -2.344 17681
1335 1 9 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.252 -0.347 17681
1336 1 9 . 1 1 24 24 ASN H H 24 8.862 8.862 8.873 -0.011 17681
1337 1 9 . 1 1 25 25 LYS N N 25 117.853 117.853 119.395 -1.542 17681
1338 1 9 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.458 -0.436 17681
1339 1 9 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.952 2.029 17681
1340 1 9 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.531 -0.656 17681
1341 1 9 . 1 1 25 25 LYS H H 25 8.268 8.268 7.924 0.344 17681
1342 1 9 . 1 1 26 26 ALA N N 26 122.085 122.085 123.404 -1.319 17681
1343 1 9 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.422 -0.052 17681
1344 1 9 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.578 -0.983 17681
1345 1 9 . 1 1 26 26 ALA CB C 26 18.192 18.192 18.987 -0.795 17681
1346 1 9 . 1 1 26 26 ALA H H 26 7.285 7.285 7.849 -0.564 17681
1347 1 9 . 1 1 27 27 GLN N N 27 112.592 112.592 115.314 -2.722 17681
1348 1 9 . 1 1 27 27 GLN HA H 27 3.827 3.827 3.977 -0.150 17681
1349 1 9 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.310 1.012 17681
1350 1 9 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.226 0.061 17681
1351 1 9 . 1 1 27 27 GLN H H 27 8.217 8.217 8.145 0.072 17681
1352 1 9 . 1 1 28 28 ILE N N 28 117.853 117.853 118.131 -0.278 17681
1353 1 9 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.712 -0.081 17681
1354 1 9 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.230 -0.800 17681
1355 1 9 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.570 1.292 17681
1356 1 9 . 1 1 28 28 ILE H H 28 7.727 7.727 8.283 -0.556 17681
1357 1 9 . 1 1 29 29 CYS N N 29 121.223 121.223 118.758 2.465 17681
1358 1 9 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.301 0.664 17681
1359 1 9 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.595 -5.836 17681
1360 1 9 . 1 1 29 29 CYS CB C 29 40.213 40.213 26.305 13.908 17681
1361 1 9 . 1 1 29 29 CYS H H 29 8.151 8.151 8.241 -0.090 17681
1362 1 9 . 1 1 30 30 VAL N N 30 117.790 117.790 118.648 -0.858 17681
1363 1 9 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.556 0.214 17681
1364 1 9 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.444 -1.556 17681
1365 1 9 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.913 1.259 17681
1366 1 9 . 1 1 30 30 VAL H H 30 9.370 9.370 8.860 0.510 17681
1367 1 9 . 1 1 31 31 ASP N N 31 122.993 122.993 117.947 5.046 17681
1368 1 9 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.884 -0.139 17681
1369 1 9 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.287 -2.431 17681
1370 1 9 . 1 1 31 31 ASP CB C 31 42.340 42.340 42.992 -0.652 17681
1371 1 9 . 1 1 31 31 ASP H H 31 9.170 9.170 8.377 0.793 17681
1372 1 9 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.416 -0.014 17681
1373 1 9 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.985 0.288 17681
1374 1 9 . 1 1 32 32 PRO CB C 32 32.400 32.400 32.421 -0.021 17681
1375 1 9 . 1 1 33 33 LYS N N 33 118.066 118.066 119.499 -1.433 17681
1376 1 9 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.173 -0.043 17681
1377 1 9 . 1 1 33 33 LYS CA C 33 57.578 57.578 58.381 -0.803 17681
1378 1 9 . 1 1 33 33 LYS H H 33 8.457 8.457 8.426 0.031 17681
1379 1 9 . 1 1 34 34 LYS N N 34 118.755 118.755 118.411 0.344 17681
1380 1 9 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.506 -0.246 17681
1381 1 9 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.407 0.397 17681
1382 1 9 . 1 1 34 34 LYS CB C 34 33.071 33.071 33.283 -0.212 17681
1383 1 9 . 1 1 34 34 LYS H H 34 7.784 7.784 7.950 -0.166 17681
1384 1 9 . 1 1 35 35 GLY N N 35 108.028 108.028 110.996 -2.968 17681
1385 1 9 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.916 0.534 17681
1386 1 9 . 1 1 35 35 GLY H H 35 7.842 7.842 7.970 -0.128 17681
1387 1 10 . 1 1 2 2 PHE N N 2 120.168 120.168 119.644 0.524 17681
1388 1 10 . 1 1 2 2 PHE HA H 2 4.795 4.795 5.162 -0.367 17681
1389 1 10 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.126 -0.278 17681
1390 1 10 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.423 0.354 17681
1391 1 10 . 1 1 2 2 PHE H H 2 8.111 8.111 6.938 1.173 17681
1392 1 10 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.354 0.189 17681
1393 1 10 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.709 -1.328 17681
1394 1 10 . 1 1 3 3 PRO CB C 3 32.059 32.059 32.139 -0.080 17681
1395 1 10 . 1 1 4 4 LEU N N 4 122.876 122.876 119.067 3.809 17681
1396 1 10 . 1 1 4 4 LEU HA H 4 4.595 4.595 3.991 0.604 17681
1397 1 10 . 1 1 4 4 LEU CA C 4 55.081 55.081 55.021 0.060 17681
1398 1 10 . 1 1 4 4 LEU CB C 4 42.364 42.364 42.007 0.357 17681
1399 1 10 . 1 1 4 4 LEU H H 4 8.549 8.549 7.944 0.605 17681
1400 1 10 . 1 1 5 5 SER N N 5 121.367 121.367 121.888 -0.521 17681
1401 1 10 . 1 1 5 5 SER HA H 5 4.441 4.441 4.650 -0.209 17681
1402 1 10 . 1 1 5 5 SER CA C 5 59.423 59.423 58.302 1.121 17681
1403 1 10 . 1 1 5 5 SER CB C 5 66.092 66.092 64.603 1.488 17681
1404 1 10 . 1 1 5 5 SER H H 5 9.307 9.307 8.629 0.678 17681
1405 1 10 . 1 1 6 6 LYS N N 6 122.742 122.742 122.989 -0.247 17681
1406 1 10 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.397 -0.174 17681
1407 1 10 . 1 1 6 6 LYS CA C 6 54.220 54.220 55.584 -1.364 17681
1408 1 10 . 1 1 6 6 LYS CB C 6 33.256 33.256 33.200 0.056 17681
1409 1 10 . 1 1 6 6 LYS H H 6 8.804 8.804 8.312 0.492 17681
1410 1 10 . 1 1 7 7 GLU N N 7 120.659 120.659 119.109 1.550 17681
1411 1 10 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.924 -0.658 17681
1412 1 10 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.417 1.681 17681
1413 1 10 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.513 -0.223 17681
1414 1 10 . 1 1 7 7 GLU H H 7 8.034 8.034 8.555 -0.521 17681
1415 1 10 . 1 1 8 8 TYR N N 8 116.938 116.938 117.695 -0.757 17681
1416 1 10 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.569 -0.634 17681
1417 1 10 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.567 1.990 17681
1418 1 10 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.341 -2.093 17681
1419 1 10 . 1 1 8 8 TYR H H 8 9.324 9.324 8.927 0.397 17681
1420 1 10 . 1 1 9 9 GLU N N 9 119.307 119.307 126.665 -7.358 17681
1421 1 10 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.460 0.047 17681
1422 1 10 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.374 -0.938 17681
1423 1 10 . 1 1 9 9 GLU CB C 9 30.638 30.638 31.781 -1.143 17681
1424 1 10 . 1 1 9 9 GLU H H 9 8.132 8.132 8.973 -0.841 17681
1425 1 10 . 1 1 10 10 THR N N 10 112.232 112.232 111.195 1.037 17681
1426 1 10 . 1 1 10 10 THR HA H 10 4.586 4.586 4.699 -0.113 17681
1427 1 10 . 1 1 10 10 THR CA C 10 61.753 61.753 61.788 -0.035 17681
1428 1 10 . 1 1 10 10 THR CB C 10 69.408 69.408 71.471 -2.063 17681
1429 1 10 . 1 1 10 10 THR H H 10 8.095 8.095 7.886 0.209 17681
1430 1 10 . 1 1 11 11 CYS N N 11 119.943 119.943 119.432 0.511 17681
1431 1 10 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.795 -0.262 17681
1432 1 10 . 1 1 11 11 CYS CA C 11 55.588 55.588 57.085 -1.497 17681
1433 1 10 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.884 17.210 17681
1434 1 10 . 1 1 11 11 CYS H H 11 8.344 8.344 8.310 0.034 17681
1435 1 10 . 1 1 12 12 VAL N N 12 121.481 121.481 122.821 -1.340 17681
1436 1 10 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.196 -0.385 17681
1437 1 10 . 1 1 12 12 VAL CA C 12 63.381 63.381 59.831 3.550 17681
1438 1 10 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.884 -0.785 17681
1439 1 10 . 1 1 12 12 VAL H H 12 7.402 7.402 7.871 -0.469 17681
1440 1 10 . 1 1 13 13 ARG N N 13 129.794 129.794 122.775 7.019 17681
1441 1 10 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.042 0.261 17681
1442 1 10 . 1 1 13 13 ARG CA C 13 55.594 55.594 61.171 -5.577 17681
1443 1 10 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.338 0.917 17681
1444 1 10 . 1 1 13 13 ARG H H 13 8.598 8.598 8.865 -0.267 17681
1445 1 10 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.355 0.200 17681
1446 1 10 . 1 1 14 14 PRO CA C 14 63.969 63.969 64.293 -0.324 17681
1447 1 10 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.421 1.921 17681
1448 1 10 . 1 1 15 15 ARG N N 15 126.618 126.618 117.611 9.007 17681
1449 1 10 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.146 0.132 17681
1450 1 10 . 1 1 15 15 ARG CA C 15 56.888 56.888 54.206 2.682 17681
1451 1 10 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.755 -0.216 17681
1452 1 10 . 1 1 15 15 ARG H H 15 8.693 8.693 7.475 1.218 17681
1453 1 10 . 1 1 16 16 LYS N N 16 119.478 119.478 120.587 -1.109 17681
1454 1 10 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.065 0.476 17681
1455 1 10 . 1 1 16 16 LYS CA C 16 54.204 54.204 57.337 -3.133 17681
1456 1 10 . 1 1 16 16 LYS CB C 16 36.222 36.222 33.230 2.992 17681
1457 1 10 . 1 1 16 16 LYS H H 16 8.609 8.609 7.110 1.499 17681
1458 1 10 . 1 1 17 17 CYS N N 17 117.793 117.793 123.135 -5.342 17681
1459 1 10 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.381 0.218 17681
1460 1 10 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.431 -6.159 17681
1461 1 10 . 1 1 17 17 CYS CB C 17 39.626 39.626 25.295 14.331 17681
1462 1 10 . 1 1 17 17 CYS H H 17 8.815 8.815 8.811 0.004 17681
1463 1 10 . 1 1 18 18 GLN N N 18 125.666 125.666 127.992 -2.326 17681
1464 1 10 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.166 0.102 17681
1465 1 10 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.253 -4.272 17681
1466 1 10 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.711 1.557 17681
1467 1 10 . 1 1 18 18 GLN H H 18 9.357 9.357 8.682 0.675 17681
1468 1 10 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.642 0.090 17681
1469 1 10 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.407 0.259 17681
1470 1 10 . 1 1 20 20 PRO CA C 20 64.107 64.107 62.954 1.153 17681
1471 1 10 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.336 2.174 17681
1472 1 10 . 1 1 21 21 LEU N N 21 122.986 122.986 122.804 0.182 17681
1473 1 10 . 1 1 21 21 LEU HA H 21 4.184 4.184 5.229 -1.045 17681
1474 1 10 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.469 3.093 17681
1475 1 10 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.341 -3.590 17681
1476 1 10 . 1 1 21 21 LEU H H 21 8.711 8.711 7.897 0.814 17681
1477 1 10 . 1 1 22 22 LYS N N 22 118.732 118.732 119.946 -1.214 17681
1478 1 10 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.521 0.023 17681
1479 1 10 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.374 -1.766 17681
1480 1 10 . 1 1 22 22 LYS CB C 22 36.331 36.331 34.631 1.700 17681
1481 1 10 . 1 1 22 22 LYS H H 22 9.008 9.008 8.622 0.386 17681
1482 1 10 . 1 1 23 23 CYS N N 23 123.466 123.466 122.149 1.317 17681
1483 1 10 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.633 0.077 17681
1484 1 10 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.457 10.616 17681
1485 1 10 . 1 1 23 23 CYS H H 23 8.650 8.650 8.944 -0.294 17681
1486 1 10 . 1 1 24 24 ASN N N 24 130.764 130.764 118.342 12.422 17681
1487 1 10 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.670 0.086 17681
1488 1 10 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.050 -2.125 17681
1489 1 10 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.197 -0.292 17681
1490 1 10 . 1 1 24 24 ASN H H 24 8.862 8.862 8.856 0.006 17681
1491 1 10 . 1 1 25 25 LYS N N 25 117.853 117.853 119.010 -1.157 17681
1492 1 10 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.364 -0.342 17681
1493 1 10 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.816 2.164 17681
1494 1 10 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.941 -1.065 17681
1495 1 10 . 1 1 25 25 LYS H H 25 8.268 8.268 8.215 0.053 17681
1496 1 10 . 1 1 26 26 ALA N N 26 122.085 122.085 122.931 -0.846 17681
1497 1 10 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.422 -0.052 17681
1498 1 10 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.248 -0.653 17681
1499 1 10 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.080 -0.888 17681
1500 1 10 . 1 1 26 26 ALA H H 26 7.285 7.285 7.806 -0.521 17681
1501 1 10 . 1 1 27 27 GLN N N 27 112.592 112.592 116.591 -3.999 17681
1502 1 10 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.035 -0.208 17681
1503 1 10 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.657 0.665 17681
1504 1 10 . 1 1 27 27 GLN CB C 27 26.287 26.287 27.593 -1.306 17681
1505 1 10 . 1 1 27 27 GLN H H 27 8.217 8.217 7.904 0.313 17681
1506 1 10 . 1 1 28 28 ILE N N 28 117.853 117.853 118.607 -0.754 17681
1507 1 10 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.278 0.353 17681
1508 1 10 . 1 1 28 28 ILE CA C 28 59.430 59.430 60.816 -1.386 17681
1509 1 10 . 1 1 28 28 ILE CB C 28 41.862 41.862 41.128 0.734 17681
1510 1 10 . 1 1 28 28 ILE H H 28 7.727 7.727 8.256 -0.529 17681
1511 1 10 . 1 1 29 29 CYS N N 29 121.223 121.223 118.517 2.706 17681
1512 1 10 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.284 0.681 17681
1513 1 10 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.699 -5.940 17681
1514 1 10 . 1 1 29 29 CYS CB C 29 40.213 40.213 25.826 14.387 17681
1515 1 10 . 1 1 29 29 CYS H H 29 8.151 8.151 8.435 -0.284 17681
1516 1 10 . 1 1 30 30 VAL N N 30 117.790 117.790 119.071 -1.281 17681
1517 1 10 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.451 0.319 17681
1518 1 10 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.835 -1.947 17681
1519 1 10 . 1 1 30 30 VAL CB C 30 36.172 36.172 34.994 1.178 17681
1520 1 10 . 1 1 30 30 VAL H H 30 9.370 9.370 8.768 0.602 17681
1521 1 10 . 1 1 31 31 ASP N N 31 122.993 122.993 116.329 6.664 17681
1522 1 10 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.906 -0.161 17681
1523 1 10 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.212 -2.356 17681
1524 1 10 . 1 1 31 31 ASP CB C 31 42.340 42.340 41.042 1.298 17681
1525 1 10 . 1 1 31 31 ASP H H 31 9.170 9.170 8.385 0.785 17681
1526 1 10 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.514 -0.112 17681
1527 1 10 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.591 0.682 17681
1528 1 10 . 1 1 32 32 PRO CB C 32 32.400 32.400 30.675 1.724 17681
1529 1 10 . 1 1 33 33 LYS N N 33 118.066 118.066 118.667 -0.601 17681
1530 1 10 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.441 -0.311 17681
1531 1 10 . 1 1 33 33 LYS CA C 33 57.578 57.578 56.889 0.689 17681
1532 1 10 . 1 1 33 33 LYS H H 33 8.457 8.457 8.583 -0.126 17681
1533 1 10 . 1 1 34 34 LYS N N 34 118.755 118.755 121.131 -2.376 17681
1534 1 10 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.570 -0.310 17681
1535 1 10 . 1 1 34 34 LYS CA C 34 56.803 56.803 55.151 1.653 17681
1536 1 10 . 1 1 34 34 LYS CB C 34 33.071 33.071 32.444 0.627 17681
1537 1 10 . 1 1 34 34 LYS H H 34 7.784 7.784 7.903 -0.119 17681
1538 1 10 . 1 1 35 35 GLY N N 35 108.028 108.028 111.052 -3.024 17681
1539 1 10 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.830 0.620 17681
1540 1 10 . 1 1 35 35 GLY H H 35 7.842 7.842 8.238 -0.396 17681
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 29 4.365 -0.924 4.342 17681
2 1 1 "Average Difference" HA 32 0.375 0.051 0.378 17681
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17681
4 1 1 "Average Difference" CA 32 2.326 0.709 2.251 17681
5 1 1 "Average Difference" CB 32 5.210 -1.911 4.925 17681
6 1 1 "Average Difference" HN 29 0.524 -0.178 0.502 17681
7 1 2 "Average Difference" N 29 4.554 -0.968 4.528 17681
8 1 2 "Average Difference" HA 32 0.343 0.055 0.344 17681
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17681
10 1 2 "Average Difference" CA 32 2.397 0.635 2.348 17681
11 1 2 "Average Difference" CB 32 5.168 -1.829 4.911 17681
12 1 2 "Average Difference" HN 29 0.556 -0.137 0.548 17681
13 1 3 "Average Difference" N 29 4.760 -1.011 4.734 17681
14 1 3 "Average Difference" HA 32 0.331 -0.029 0.335 17681
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17681
16 1 3 "Average Difference" CA 32 2.525 0.688 2.468 17681
17 1 3 "Average Difference" CB 32 5.464 -2.142 5.107 17681
18 1 3 "Average Difference" HN 29 0.600 -0.185 0.581 17681
19 1 4 "Average Difference" N 29 4.712 -0.885 4.711 17681
20 1 4 "Average Difference" HA 32 0.364 0.042 0.367 17681
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17681
22 1 4 "Average Difference" CA 32 2.390 0.720 2.316 17681
23 1 4 "Average Difference" CB 32 5.237 -2.022 4.909 17681
24 1 4 "Average Difference" HN 29 0.627 -0.261 0.580 17681
25 1 5 "Average Difference" N 29 4.662 -0.822 4.670 17681
26 1 5 "Average Difference" HA 32 0.349 0.128 0.329 17681
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17681
28 1 5 "Average Difference" CA 32 2.218 0.653 2.154 17681
29 1 5 "Average Difference" CB 32 5.127 -1.708 4.912 17681
30 1 5 "Average Difference" HN 29 0.508 -0.114 0.504 17681
31 1 6 "Average Difference" N 29 4.584 -0.469 4.641 17681
32 1 6 "Average Difference" HA 32 0.373 0.101 0.365 17681
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17681
34 1 6 "Average Difference" CA 32 2.285 0.613 2.236 17681
35 1 6 "Average Difference" CB 32 5.163 -1.776 4.925 17681
36 1 6 "Average Difference" HN 29 0.485 -0.083 0.486 17681
37 1 7 "Average Difference" N 29 4.660 -0.565 4.707 17681
38 1 7 "Average Difference" HA 32 0.324 0.078 0.320 17681
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17681
40 1 7 "Average Difference" CA 32 2.303 0.640 2.248 17681
41 1 7 "Average Difference" CB 32 5.061 -1.777 4.815 17681
42 1 7 "Average Difference" HN 29 0.510 -0.050 0.517 17681
43 1 8 "Average Difference" N 29 4.117 -1.369 3.951 17681
44 1 8 "Average Difference" HA 32 0.320 0.020 0.325 17681
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17681
46 1 8 "Average Difference" CA 32 2.401 0.773 2.309 17681
47 1 8 "Average Difference" CB 32 5.231 -2.145 4.848 17681
48 1 8 "Average Difference" HN 29 0.553 -0.200 0.525 17681
49 1 9 "Average Difference" N 29 4.373 -1.340 4.236 17681
50 1 9 "Average Difference" HA 32 0.306 0.041 0.308 17681
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17681
52 1 9 "Average Difference" CA 32 2.403 0.637 2.354 17681
53 1 9 "Average Difference" CB 32 5.213 -1.996 4.893 17681
54 1 9 "Average Difference" HN 29 0.624 -0.289 0.563 17681
55 1 10 "Average Difference" N 29 4.092 -0.431 4.141 17681
56 1 10 "Average Difference" HA 32 0.368 0.041 0.372 17681
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17681
58 1 10 "Average Difference" CA 32 2.541 0.602 2.508 17681
59 1 10 "Average Difference" CB 32 5.248 -1.936 4.956 17681
60 1 10 "Average Difference" HN 29 0.613 -0.192 0.592 17681
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 17681
_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 PHE N N 2 120.168 120.168 120.605 -0.437 17681
2 1 . 1 1 2 2 PHE HA H 2 4.795 4.795 4.735 0.060 17681
3 1 . 1 1 2 2 PHE CA C 2 55.848 55.848 56.202 -0.354 17681
4 1 . 1 1 2 2 PHE CB C 2 39.777 39.777 39.047 0.730 17681
5 1 . 1 1 2 2 PHE H H 2 8.111 8.111 7.873 0.238 17681
6 1 . 1 1 3 3 PRO HA H 3 4.543 4.543 4.486 0.057 17681
7 1 . 1 1 3 3 PRO CA C 3 62.381 62.381 63.214 -0.833 17681
8 1 . 1 1 3 3 PRO CB C 3 32.059 32.059 31.794 0.265 17681
9 1 . 1 1 4 4 LEU N N 4 122.876 122.876 119.113 3.763 17681
10 1 . 1 1 4 4 LEU HA H 4 4.595 4.595 4.493 0.102 17681
11 1 . 1 1 4 4 LEU CA C 4 55.081 55.081 54.857 0.224 17681
12 1 . 1 1 4 4 LEU CB C 4 42.364 42.364 42.776 -0.412 17681
13 1 . 1 1 4 4 LEU H H 4 8.549 8.549 7.971 0.578 17681
14 1 . 1 1 5 5 SER N N 5 121.367 121.367 115.605 5.762 17681
15 1 . 1 1 5 5 SER HA H 5 4.441 4.441 4.547 -0.106 17681
16 1 . 1 1 5 5 SER CA C 5 59.423 59.423 58.263 1.160 17681
17 1 . 1 1 5 5 SER CB C 5 66.092 66.092 64.611 1.481 17681
18 1 . 1 1 5 5 SER H H 5 9.307 9.307 8.411 0.896 17681
19 1 . 1 1 6 6 LYS N N 6 122.742 122.742 121.267 1.475 17681
20 1 . 1 1 6 6 LYS HA H 6 4.223 4.223 4.426 -0.203 17681
21 1 . 1 1 6 6 LYS CA C 6 54.220 54.220 55.454 -1.234 17681
22 1 . 1 1 6 6 LYS CB C 6 33.256 33.256 33.706 -0.450 17681
23 1 . 1 1 6 6 LYS H H 6 8.804 8.804 8.244 0.560 17681
24 1 . 1 1 7 7 GLU N N 7 120.659 120.659 118.199 2.460 17681
25 1 . 1 1 7 7 GLU HA H 7 3.266 3.266 3.921 -0.655 17681
26 1 . 1 1 7 7 GLU CA C 7 59.098 59.098 57.553 1.545 17681
27 1 . 1 1 7 7 GLU CB C 7 29.290 29.290 29.489 -0.199 17681
28 1 . 1 1 7 7 GLU H H 7 8.034 8.034 8.462 -0.428 17681
29 1 . 1 1 8 8 TYR N N 8 116.938 116.938 118.038 -1.100 17681
30 1 . 1 1 8 8 TYR HA H 8 3.935 3.935 4.460 -0.525 17681
31 1 . 1 1 8 8 TYR CA C 8 60.557 60.557 58.717 1.840 17681
32 1 . 1 1 8 8 TYR CB C 8 35.248 35.248 37.594 -2.346 17681
33 1 . 1 1 8 8 TYR H H 8 9.324 9.324 8.704 0.620 17681
34 1 . 1 1 9 9 GLU N N 9 119.307 119.307 124.007 -4.700 17681
35 1 . 1 1 9 9 GLU HA H 9 4.507 4.507 4.345 0.162 17681
36 1 . 1 1 9 9 GLU CA C 9 55.436 55.436 56.768 -1.332 17681
37 1 . 1 1 9 9 GLU CB C 9 30.638 30.638 31.292 -0.654 17681
38 1 . 1 1 9 9 GLU H H 9 8.132 8.132 8.534 -0.402 17681
39 1 . 1 1 10 10 THR N N 10 112.232 112.232 111.958 0.274 17681
40 1 . 1 1 10 10 THR HA H 10 4.586 4.586 4.603 -0.017 17681
41 1 . 1 1 10 10 THR CA C 10 61.753 61.753 62.135 -0.382 17681
42 1 . 1 1 10 10 THR CB C 10 69.408 69.408 69.936 -0.528 17681
43 1 . 1 1 10 10 THR H H 10 8.095 8.095 8.121 -0.026 17681
44 1 . 1 1 11 11 CYS N N 11 119.943 119.943 120.751 -0.808 17681
45 1 . 1 1 11 11 CYS HA H 11 4.533 4.533 4.942 -0.409 17681
46 1 . 1 1 11 11 CYS CA C 11 55.588 55.588 57.139 -1.551 17681
47 1 . 1 1 11 11 CYS CB C 11 44.094 44.094 26.644 17.450 17681
48 1 . 1 1 11 11 CYS H H 11 8.344 8.344 8.393 -0.048 17681
49 1 . 1 1 12 12 VAL N N 12 121.481 121.481 120.257 1.223 17681
50 1 . 1 1 12 12 VAL HA H 12 3.811 3.811 4.058 -0.247 17681
51 1 . 1 1 12 12 VAL CA C 12 63.381 63.381 61.617 1.764 17681
52 1 . 1 1 12 12 VAL CB C 12 32.099 32.099 32.486 -0.387 17681
53 1 . 1 1 12 12 VAL H H 12 7.402 7.402 7.671 -0.269 17681
54 1 . 1 1 13 13 ARG N N 13 129.794 129.794 121.939 7.855 17681
55 1 . 1 1 13 13 ARG HA H 13 4.303 4.303 4.098 0.205 17681
56 1 . 1 1 13 13 ARG CA C 13 55.594 55.594 60.591 -4.997 17681
57 1 . 1 1 13 13 ARG CB C 13 29.255 29.255 28.185 1.069 17681
58 1 . 1 1 13 13 ARG H H 13 8.598 8.598 8.743 -0.145 17681
59 1 . 1 1 14 14 PRO HA H 14 4.555 4.555 4.309 0.246 17681
60 1 . 1 1 14 14 PRO CA C 14 63.969 63.969 63.976 -0.007 17681
61 1 . 1 1 14 14 PRO CB C 14 33.342 33.342 31.323 2.020 17681
62 1 . 1 1 15 15 ARG N N 15 126.618 126.618 118.882 7.736 17681
63 1 . 1 1 15 15 ARG HA H 15 4.278 4.278 4.420 -0.142 17681
64 1 . 1 1 15 15 ARG CA C 15 56.888 56.888 54.962 1.926 17681
65 1 . 1 1 15 15 ARG CB C 15 30.539 30.539 30.371 0.168 17681
66 1 . 1 1 15 15 ARG H H 15 8.693 8.693 7.682 1.011 17681
67 1 . 1 1 16 16 LYS N N 16 119.478 119.478 120.321 -0.843 17681
68 1 . 1 1 16 16 LYS HA H 16 4.541 4.541 4.175 0.366 17681
69 1 . 1 1 16 16 LYS CA C 16 54.204 54.204 56.660 -2.456 17681
70 1 . 1 1 16 16 LYS CB C 16 36.222 36.222 32.746 3.476 17681
71 1 . 1 1 16 16 LYS H H 16 8.609 8.609 7.557 1.052 17681
72 1 . 1 1 17 17 CYS N N 17 117.793 117.793 124.363 -6.570 17681
73 1 . 1 1 17 17 CYS HA H 17 4.599 4.599 4.361 0.238 17681
74 1 . 1 1 17 17 CYS CA C 17 54.273 54.273 60.218 -5.945 17681
75 1 . 1 1 17 17 CYS CB C 17 39.626 39.626 26.290 13.336 17681
76 1 . 1 1 17 17 CYS H H 17 8.815 8.815 8.850 -0.035 17681
77 1 . 1 1 18 18 GLN N N 18 125.666 125.666 126.374 -0.708 17681
78 1 . 1 1 18 18 GLN HA H 18 4.268 4.268 4.244 0.024 17681
79 1 . 1 1 18 18 GLN CA C 18 53.981 53.981 58.383 -4.402 17681
80 1 . 1 1 18 18 GLN CB C 18 29.268 29.268 27.508 1.760 17681
81 1 . 1 1 18 18 GLN H H 18 9.357 9.357 8.681 0.676 17681
82 1 . 1 1 19 19 PRO CB C 19 30.732 30.732 30.744 -0.012 17681
83 1 . 1 1 20 20 PRO HA H 20 4.666 4.666 4.404 0.262 17681
84 1 . 1 1 20 20 PRO CA C 20 64.107 64.107 63.005 1.102 17681
85 1 . 1 1 20 20 PRO CB C 20 32.510 32.510 30.257 2.253 17681
86 1 . 1 1 21 21 LEU N N 21 122.986 122.986 122.088 0.898 17681
87 1 . 1 1 21 21 LEU HA H 21 4.184 4.184 4.987 -0.803 17681
88 1 . 1 1 21 21 LEU CA C 21 55.562 55.562 52.652 2.910 17681
89 1 . 1 1 21 21 LEU CB C 21 41.751 41.751 45.341 -3.590 17681
90 1 . 1 1 21 21 LEU H H 21 8.711 8.711 7.940 0.771 17681
91 1 . 1 1 22 22 LYS N N 22 118.732 118.732 119.285 -0.553 17681
92 1 . 1 1 22 22 LYS HA H 22 4.544 4.544 4.541 0.003 17681
93 1 . 1 1 22 22 LYS CA C 22 53.608 53.608 55.171 -1.564 17681
94 1 . 1 1 22 22 LYS CB C 22 36.331 36.331 35.105 1.226 17681
95 1 . 1 1 22 22 LYS H H 22 9.008 9.008 8.733 0.275 17681
96 1 . 1 1 23 23 CYS N N 23 123.466 123.466 121.528 1.938 17681
97 1 . 1 1 23 23 CYS HA H 23 4.710 4.710 4.823 -0.113 17681
98 1 . 1 1 23 23 CYS CB C 23 40.073 40.073 29.103 10.970 17681
99 1 . 1 1 23 23 CYS H H 23 8.650 8.650 8.906 -0.256 17681
100 1 . 1 1 24 24 ASN N N 24 130.764 130.764 118.180 12.584 17681
101 1 . 1 1 24 24 ASN HA H 24 4.756 4.756 4.771 -0.016 17681
102 1 . 1 1 24 24 ASN CA C 24 51.925 51.925 54.019 -2.094 17681
103 1 . 1 1 24 24 ASN CB C 24 38.905 38.905 39.362 -0.457 17681
104 1 . 1 1 24 24 ASN H H 24 8.862 8.862 8.782 0.080 17681
105 1 . 1 1 25 25 LYS N N 25 117.853 117.853 118.249 -0.396 17681
106 1 . 1 1 25 25 LYS HA H 25 4.022 4.022 4.433 -0.411 17681
107 1 . 1 1 25 25 LYS CA C 25 58.980 58.980 56.875 2.105 17681
108 1 . 1 1 25 25 LYS CB C 25 31.875 31.875 32.843 -0.967 17681
109 1 . 1 1 25 25 LYS H H 25 8.268 8.268 8.023 0.245 17681
110 1 . 1 1 26 26 ALA N N 26 122.085 122.085 122.998 -0.913 17681
111 1 . 1 1 26 26 ALA HA H 26 4.370 4.370 4.417 -0.047 17681
112 1 . 1 1 26 26 ALA CA C 26 51.595 51.595 52.467 -0.872 17681
113 1 . 1 1 26 26 ALA CB C 26 18.192 18.192 19.051 -0.859 17681
114 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.915 -0.630 17681
115 1 . 1 1 27 27 GLN N N 27 112.592 112.592 116.000 -3.408 17681
116 1 . 1 1 27 27 GLN HA H 27 3.827 3.827 4.049 -0.222 17681
117 1 . 1 1 27 27 GLN CA C 27 57.322 57.322 56.414 0.908 17681
118 1 . 1 1 27 27 GLN CB C 27 26.287 26.287 26.919 -0.632 17681
119 1 . 1 1 27 27 GLN H H 27 8.217 8.217 8.096 0.121 17681
120 1 . 1 1 28 28 ILE N N 28 117.853 117.853 118.231 -0.378 17681
121 1 . 1 1 28 28 ILE HA H 28 4.631 4.631 4.382 0.249 17681
122 1 . 1 1 28 28 ILE CA C 28 59.430 59.430 59.861 -0.431 17681
123 1 . 1 1 28 28 ILE CB C 28 41.862 41.862 40.680 1.182 17681
124 1 . 1 1 28 28 ILE H H 28 7.727 7.727 8.270 -0.543 17681
125 1 . 1 1 29 29 CYS N N 29 121.223 121.223 120.759 0.464 17681
126 1 . 1 1 29 29 CYS HA H 29 4.965 4.965 4.474 0.491 17681
127 1 . 1 1 29 29 CYS CA C 29 54.759 54.759 60.300 -5.541 17681
128 1 . 1 1 29 29 CYS CB C 29 40.213 40.213 26.201 14.012 17681
129 1 . 1 1 29 29 CYS H H 29 8.151 8.151 8.617 -0.467 17681
130 1 . 1 1 30 30 VAL N N 30 117.790 117.790 119.536 -1.746 17681
131 1 . 1 1 30 30 VAL HA H 30 4.770 4.770 4.483 0.287 17681
132 1 . 1 1 30 30 VAL CA C 30 58.888 58.888 60.571 -1.683 17681
133 1 . 1 1 30 30 VAL CB C 30 36.172 36.172 35.002 1.170 17681
134 1 . 1 1 30 30 VAL H H 30 9.370 9.370 8.875 0.495 17681
135 1 . 1 1 31 31 ASP N N 31 122.993 122.993 116.627 6.366 17681
136 1 . 1 1 31 31 ASP HA H 31 4.745 4.745 4.936 -0.192 17681
137 1 . 1 1 31 31 ASP CA C 31 50.856 50.856 53.294 -2.438 17681
138 1 . 1 1 31 31 ASP CB C 31 42.340 42.340 41.970 0.370 17681
139 1 . 1 1 31 31 ASP H H 31 9.170 9.170 8.370 0.800 17681
140 1 . 1 1 32 32 PRO HA H 32 4.402 4.402 4.430 -0.028 17681
141 1 . 1 1 32 32 PRO CA C 32 64.273 64.273 63.943 0.330 17681
142 1 . 1 1 32 32 PRO CB C 32 32.400 32.400 31.890 0.510 17681
143 1 . 1 1 33 33 LYS N N 33 118.066 118.066 119.037 -0.972 17681
144 1 . 1 1 33 33 LYS HA H 33 4.130 4.130 4.224 -0.094 17681
145 1 . 1 1 33 33 LYS CA C 33 57.578 57.578 57.832 -0.254 17681
146 1 . 1 1 33 33 LYS H H 33 8.457 8.457 8.379 0.078 17681
147 1 . 1 1 34 34 LYS N N 34 118.755 118.755 118.942 -0.187 17681
148 1 . 1 1 34 34 LYS HA H 34 4.260 4.260 4.475 -0.215 17681
149 1 . 1 1 34 34 LYS CA C 34 56.803 56.803 56.089 0.714 17681
150 1 . 1 1 34 34 LYS CB C 34 33.071 33.071 33.449 -0.378 17681
151 1 . 1 1 34 34 LYS H H 34 7.784 7.784 7.765 0.019 17681
152 1 . 1 1 35 35 GLY N N 35 108.028 108.028 111.634 -3.606 17681
153 1 . 1 1 35 35 GLY CA C 35 45.450 45.450 44.960 0.490 17681
154 1 . 1 1 35 35 GLY H H 35 7.842 7.842 8.212 -0.370 17681
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