data_17533
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17533
_Entry.PDB_ID 2LAQ
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 17533
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLU N N 2 123.180 123.180 119.064 4.116 17533
2 1 1 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.568 -0.309 17533
3 1 1 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.295 -0.505 17533
4 1 1 . 1 1 2 2 GLU CB C 2 30.930 30.930 29.532 1.398 17533
5 1 1 . 1 1 2 2 GLU H H 2 8.088 8.088 8.511 -0.423 17533
6 1 1 . 1 1 3 3 TRP N N 3 123.710 123.710 122.282 1.428 17533
7 1 1 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.929 -0.315 17533
8 1 1 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.569 -0.659 17533
9 1 1 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.517 -1.717 17533
10 1 1 . 1 1 3 3 TRP H H 3 8.143 8.143 8.082 0.061 17533
11 1 1 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.455 -0.165 17533
12 1 1 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.477 0.693 17533
13 1 1 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.205 0.575 17533
14 1 1 . 1 1 5 5 TRP N N 5 117.357 117.357 124.964 -7.607 17533
15 1 1 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.924 -0.300 17533
16 1 1 . 1 1 5 5 TRP CA C 5 57.520 57.520 54.978 2.542 17533
17 1 1 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.044 -0.564 17533
18 1 1 . 1 1 5 5 TRP H H 5 7.371 7.371 7.932 -0.561 17533
19 1 1 . 1 1 6 6 ASN N N 6 119.590 119.590 118.711 0.879 17533
20 1 1 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.311 0.360 17533
21 1 1 . 1 1 6 6 ASN CA C 6 53.140 53.140 52.105 1.034 17533
22 1 1 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.571 -0.061 17533
23 1 1 . 1 1 6 6 ASN H H 6 7.959 7.959 7.664 0.295 17533
24 1 1 . 1 1 7 7 ARG N N 7 120.540 120.540 120.713 -0.173 17533
25 1 1 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.985 0.261 17533
26 1 1 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.923 -1.004 17533
27 1 1 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.484 1.996 17533
28 1 1 . 1 1 7 7 ARG H H 7 7.806 7.806 8.504 -0.698 17533
29 1 1 . 1 1 11 11 LYS N N 11 123.510 123.510 122.706 0.804 17533
30 1 1 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.538 0.738 17533
31 1 1 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.318 -0.158 17533
32 1 1 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.037 1.323 17533
33 1 1 . 1 1 11 11 LYS H H 11 8.171 8.171 8.022 0.149 17533
34 1 1 . 1 1 21 21 ASP N N 21 119.900 119.900 121.878 -1.978 17533
35 1 1 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.749 -0.252 17533
36 1 1 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.956 -0.656 17533
37 1 1 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.389 -1.059 17533
38 1 1 . 1 1 21 21 ASP H H 21 8.047 8.047 8.347 -0.300 17533
39 1 1 . 1 1 22 22 LYS N N 22 120.130 120.130 120.733 -0.603 17533
40 1 1 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.035 0.068 17533
41 1 1 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.655 -1.305 17533
42 1 1 . 1 1 22 22 LYS CB C 22 32.720 32.720 32.067 0.653 17533
43 1 1 . 1 1 22 22 LYS H H 22 7.992 7.992 8.856 -0.864 17533
44 1 1 . 1 1 23 23 TRP N N 23 120.070 120.070 119.009 1.061 17533
45 1 1 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.408 0.146 17533
46 1 1 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.542 1.218 17533
47 1 1 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.617 0.013 17533
48 1 1 . 1 1 23 23 TRP H H 23 7.995 7.995 7.903 0.092 17533
49 1 1 . 1 1 24 24 CYS N N 24 118.950 118.950 119.327 -0.377 17533
50 1 1 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.084 1.376 17533
51 1 1 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.732 -0.432 17533
52 1 1 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.988 14.752 17533
53 1 1 . 1 1 24 24 CYS H H 24 8.268 8.268 7.265 1.003 17533
54 1 1 . 1 1 25 25 ARG N N 25 121.070 121.070 123.216 -2.146 17533
55 1 1 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.223 -0.059 17533
56 1 1 . 1 1 25 25 ARG CA C 25 56.310 56.310 56.485 -0.175 17533
57 1 1 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.617 -0.197 17533
58 1 1 . 1 1 25 25 ARG H H 25 8.165 8.165 8.308 -0.143 17533
59 1 1 . 1 1 26 26 LEU N N 26 119.870 119.870 115.467 4.403 17533
60 1 1 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.668 -0.425 17533
61 1 1 . 1 1 26 26 LEU CA C 26 55.950 55.950 51.806 4.144 17533
62 1 1 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.547 -1.026 17533
63 1 1 . 1 1 26 26 LEU H H 26 7.833 7.833 7.255 0.578 17533
64 1 1 . 1 1 27 27 ASN N N 27 117.025 117.025 118.657 -1.632 17533
65 1 1 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.488 -0.007 17533
66 1 1 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.283 0.667 17533
67 1 1 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.468 0.013 17533
68 1 1 . 1 1 27 27 ASN H H 27 8.078 8.078 8.315 -0.237 17533
69 1 1 . 1 1 28 28 LEU N N 28 120.260 120.260 125.914 -5.654 17533
70 1 1 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.252 0.110 17533
71 1 1 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.945 0.185 17533
72 1 1 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.563 0.057 17533
73 1 1 . 1 1 28 28 LEU H H 28 7.976 7.976 8.234 -0.258 17533
74 1 1 . 1 1 29 29 GLY N N 29 108.780 108.780 105.105 3.675 17533
75 1 1 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.734 -0.791 17533
76 1 1 . 1 1 29 29 GLY H H 29 8.050 8.050 8.328 -0.278 17533
77 1 1 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.255 0.114 17533
78 1 1 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.547 -0.478 17533
79 1 1 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.963 2.177 17533
80 1 1 . 1 1 31 31 ALA N N 31 122.230 122.230 121.626 0.604 17533
81 1 1 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.149 0.025 17533
82 1 1 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.320 0.480 17533
83 1 1 . 1 1 31 31 ALA CB C 31 18.700 18.700 18.225 0.475 17533
84 1 1 . 1 1 31 31 ALA H H 31 8.308 8.308 8.488 -0.180 17533
85 1 1 . 1 1 32 32 TRP N N 32 119.100 119.100 119.525 -0.425 17533
86 1 1 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.990 -0.428 17533
87 1 1 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.803 -0.533 17533
88 1 1 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.998 -2.288 17533
89 1 1 . 1 1 32 32 TRP H H 32 7.720 7.720 8.741 -1.021 17533
90 1 1 . 1 1 33 33 GLY N N 33 110.630 110.630 107.861 2.769 17533
91 1 1 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.902 0.907 17533
92 1 1 . 1 1 33 33 GLY H H 33 8.105 8.105 8.764 -0.659 17533
93 1 1 . 1 1 34 34 GLY N N 34 107.760 107.760 113.683 -5.923 17533
94 1 1 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.925 -0.788 17533
95 1 1 . 1 1 34 34 GLY H H 34 7.382 7.382 8.693 -1.311 17533
96 1 1 . 1 1 35 35 ARG N N 35 119.120 119.120 121.596 -2.476 17533
97 1 1 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.496 -0.026 17533
98 1 1 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.941 -0.011 17533
99 1 1 . 1 1 35 35 ARG CB C 35 31.500 31.500 30.976 0.524 17533
100 1 1 . 1 1 35 35 ARG H H 35 7.964 7.964 8.540 -0.576 17533
101 1 2 . 1 1 2 2 GLU N N 2 123.180 123.180 120.535 2.645 17533
102 1 2 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.188 0.071 17533
103 1 2 . 1 1 2 2 GLU CA C 2 55.790 55.790 57.399 -1.609 17533
104 1 2 . 1 1 2 2 GLU CB C 2 30.930 30.930 28.885 2.045 17533
105 1 2 . 1 1 2 2 GLU H H 2 8.088 8.088 7.959 0.129 17533
106 1 2 . 1 1 3 3 TRP N N 3 123.710 123.710 120.771 2.939 17533
107 1 2 . 1 1 3 3 TRP HA H 3 4.614 4.614 5.082 -0.468 17533
108 1 2 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.762 0.148 17533
109 1 2 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.470 -1.670 17533
110 1 2 . 1 1 3 3 TRP H H 3 8.143 8.143 8.407 -0.264 17533
111 1 2 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.527 -0.237 17533
112 1 2 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.498 0.672 17533
113 1 2 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.930 0.850 17533
114 1 2 . 1 1 5 5 TRP N N 5 117.357 117.357 124.032 -6.675 17533
115 1 2 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.831 -0.207 17533
116 1 2 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.741 0.779 17533
117 1 2 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.444 -0.964 17533
118 1 2 . 1 1 5 5 TRP H H 5 7.371 7.371 8.237 -0.866 17533
119 1 2 . 1 1 6 6 ASN N N 6 119.590 119.590 119.757 -0.167 17533
120 1 2 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.537 0.134 17533
121 1 2 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.378 -0.238 17533
122 1 2 . 1 1 6 6 ASN CB C 6 38.510 38.510 39.170 -0.660 17533
123 1 2 . 1 1 6 6 ASN H H 6 7.959 7.959 8.016 -0.057 17533
124 1 2 . 1 1 7 7 ARG N N 7 120.540 120.540 123.022 -2.482 17533
125 1 2 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.620 -0.374 17533
126 1 2 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.176 -0.256 17533
127 1 2 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.702 0.778 17533
128 1 2 . 1 1 7 7 ARG H H 7 7.806 7.806 8.523 -0.717 17533
129 1 2 . 1 1 11 11 LYS N N 11 123.510 123.510 122.321 1.189 17533
130 1 2 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.526 0.750 17533
131 1 2 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.354 -0.194 17533
132 1 2 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.072 1.288 17533
133 1 2 . 1 1 11 11 LYS H H 11 8.171 8.171 7.999 0.172 17533
134 1 2 . 1 1 21 21 ASP N N 21 119.900 119.900 122.365 -2.465 17533
135 1 2 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.611 -0.114 17533
136 1 2 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.248 0.052 17533
137 1 2 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.157 -0.827 17533
138 1 2 . 1 1 21 21 ASP H H 21 8.047 8.047 8.019 0.028 17533
139 1 2 . 1 1 22 22 LYS N N 22 120.130 120.130 121.888 -1.758 17533
140 1 2 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.144 -0.041 17533
141 1 2 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.221 -0.871 17533
142 1 2 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.199 1.521 17533
143 1 2 . 1 1 22 22 LYS H H 22 7.992 7.992 8.412 -0.420 17533
144 1 2 . 1 1 23 23 TRP N N 23 120.070 120.070 120.354 -0.284 17533
145 1 2 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.561 -0.007 17533
146 1 2 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.690 1.070 17533
147 1 2 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.520 0.110 17533
148 1 2 . 1 1 23 23 TRP H H 23 7.995 7.995 8.702 -0.707 17533
149 1 2 . 1 1 24 24 CYS N N 24 118.950 118.950 119.822 -0.872 17533
150 1 2 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.147 1.313 17533
151 1 2 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.575 -1.275 17533
152 1 2 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.419 15.321 17533
153 1 2 . 1 1 24 24 CYS H H 24 8.268 8.268 7.471 0.797 17533
154 1 2 . 1 1 25 25 ARG N N 25 121.070 121.070 118.641 2.429 17533
155 1 2 . 1 1 25 25 ARG HA H 25 4.164 4.164 3.997 0.167 17533
156 1 2 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.458 -1.148 17533
157 1 2 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.544 -0.124 17533
158 1 2 . 1 1 25 25 ARG H H 25 8.165 8.165 8.069 0.096 17533
159 1 2 . 1 1 26 26 LEU N N 26 119.870 119.870 116.511 3.359 17533
160 1 2 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.386 -0.143 17533
161 1 2 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.315 2.635 17533
162 1 2 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.492 -0.972 17533
163 1 2 . 1 1 26 26 LEU H H 26 7.833 7.833 7.177 0.656 17533
164 1 2 . 1 1 27 27 ASN N N 27 117.025 117.025 118.650 -1.625 17533
165 1 2 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.510 -0.029 17533
166 1 2 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.618 0.332 17533
167 1 2 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.305 0.175 17533
168 1 2 . 1 1 27 27 ASN H H 27 8.078 8.078 8.309 -0.231 17533
169 1 2 . 1 1 28 28 LEU N N 28 120.260 120.260 127.419 -7.159 17533
170 1 2 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.475 -0.113 17533
171 1 2 . 1 1 28 28 LEU CA C 28 55.130 55.130 53.773 1.357 17533
172 1 2 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.172 -0.552 17533
173 1 2 . 1 1 28 28 LEU H H 28 7.976 7.976 8.675 -0.699 17533
174 1 2 . 1 1 29 29 GLY N N 29 108.780 108.780 106.775 2.005 17533
175 1 2 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.947 -1.004 17533
176 1 2 . 1 1 29 29 GLY H H 29 8.050 8.050 8.223 -0.173 17533
177 1 2 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.270 0.099 17533
178 1 2 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.112 -0.042 17533
179 1 2 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.581 2.559 17533
180 1 2 . 1 1 31 31 ALA N N 31 122.230 122.230 120.534 1.696 17533
181 1 2 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.382 -0.208 17533
182 1 2 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.292 0.508 17533
183 1 2 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.814 -1.114 17533
184 1 2 . 1 1 31 31 ALA H H 31 8.308 8.308 8.863 -0.555 17533
185 1 2 . 1 1 32 32 TRP N N 32 119.100 119.100 119.267 -0.167 17533
186 1 2 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.055 -0.493 17533
187 1 2 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.135 0.135 17533
188 1 2 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.792 -2.082 17533
189 1 2 . 1 1 32 32 TRP H H 32 7.720 7.720 8.163 -0.443 17533
190 1 2 . 1 1 33 33 GLY N N 33 110.630 110.630 106.664 3.966 17533
191 1 2 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.275 0.534 17533
192 1 2 . 1 1 33 33 GLY H H 33 8.105 8.105 8.848 -0.743 17533
193 1 2 . 1 1 34 34 GLY N N 34 107.760 107.760 108.971 -1.211 17533
194 1 2 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.223 -0.086 17533
195 1 2 . 1 1 34 34 GLY H H 34 7.382 7.382 8.177 -0.795 17533
196 1 2 . 1 1 35 35 ARG N N 35 119.120 119.120 122.396 -3.276 17533
197 1 2 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.601 -0.131 17533
198 1 2 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.160 0.770 17533
199 1 2 . 1 1 35 35 ARG CB C 35 31.500 31.500 30.246 1.254 17533
200 1 2 . 1 1 35 35 ARG H H 35 7.964 7.964 8.350 -0.386 17533
201 1 3 . 1 1 2 2 GLU N N 2 123.180 123.180 122.116 1.064 17533
202 1 3 . 1 1 2 2 GLU HA H 2 4.259 4.259 3.747 0.512 17533
203 1 3 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.334 0.456 17533
204 1 3 . 1 1 2 2 GLU CB C 2 30.930 30.930 27.779 3.151 17533
205 1 3 . 1 1 2 2 GLU H H 2 8.088 8.088 7.420 0.668 17533
206 1 3 . 1 1 3 3 TRP N N 3 123.710 123.710 121.127 2.583 17533
207 1 3 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.384 0.230 17533
208 1 3 . 1 1 3 3 TRP CA C 3 54.910 54.910 56.938 -2.029 17533
209 1 3 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.014 -0.214 17533
210 1 3 . 1 1 3 3 TRP H H 3 8.143 8.143 7.657 0.486 17533
211 1 3 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.288 0.002 17533
212 1 3 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.599 0.571 17533
213 1 3 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.753 1.027 17533
214 1 3 . 1 1 5 5 TRP N N 5 117.357 117.357 126.240 -8.883 17533
215 1 3 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.693 -0.069 17533
216 1 3 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.384 0.136 17533
217 1 3 . 1 1 5 5 TRP CB C 5 28.480 28.480 30.212 -1.732 17533
218 1 3 . 1 1 5 5 TRP H H 5 7.371 7.371 8.321 -0.950 17533
219 1 3 . 1 1 6 6 ASN N N 6 119.590 119.590 117.289 2.301 17533
220 1 3 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.965 -0.294 17533
221 1 3 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.064 0.076 17533
222 1 3 . 1 1 6 6 ASN CB C 6 38.510 38.510 40.111 -1.601 17533
223 1 3 . 1 1 6 6 ASN H H 6 7.959 7.959 8.417 -0.458 17533
224 1 3 . 1 1 7 7 ARG N N 7 120.540 120.540 122.049 -1.509 17533
225 1 3 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.399 -0.153 17533
226 1 3 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.592 0.328 17533
227 1 3 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.224 2.256 17533
228 1 3 . 1 1 7 7 ARG H H 7 7.806 7.806 8.637 -0.831 17533
229 1 3 . 1 1 11 11 LYS N N 11 123.510 123.510 121.426 2.084 17533
230 1 3 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.881 0.395 17533
231 1 3 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.722 0.438 17533
232 1 3 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.487 0.873 17533
233 1 3 . 1 1 11 11 LYS H H 11 8.171 8.171 8.277 -0.106 17533
234 1 3 . 1 1 21 21 ASP N N 21 119.900 119.900 122.773 -2.873 17533
235 1 3 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.739 -0.242 17533
236 1 3 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.957 -0.657 17533
237 1 3 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.619 -1.289 17533
238 1 3 . 1 1 21 21 ASP H H 21 8.047 8.047 8.313 -0.266 17533
239 1 3 . 1 1 22 22 LYS N N 22 120.130 120.130 119.787 0.343 17533
240 1 3 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.023 0.080 17533
241 1 3 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.054 -0.704 17533
242 1 3 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.128 1.592 17533
243 1 3 . 1 1 22 22 LYS H H 22 7.992 7.992 8.820 -0.828 17533
244 1 3 . 1 1 23 23 TRP N N 23 120.070 120.070 118.599 1.471 17533
245 1 3 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.371 0.183 17533
246 1 3 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.766 0.994 17533
247 1 3 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.429 0.201 17533
248 1 3 . 1 1 23 23 TRP H H 23 7.995 7.995 7.827 0.168 17533
249 1 3 . 1 1 24 24 CYS N N 24 118.950 118.950 119.627 -0.677 17533
250 1 3 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.109 1.351 17533
251 1 3 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.567 -1.267 17533
252 1 3 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.436 15.305 17533
253 1 3 . 1 1 24 24 CYS H H 24 8.268 8.268 7.373 0.895 17533
254 1 3 . 1 1 25 25 ARG N N 25 121.070 121.070 119.053 2.017 17533
255 1 3 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.048 0.116 17533
256 1 3 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.422 -1.112 17533
257 1 3 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.436 -0.017 17533
258 1 3 . 1 1 25 25 ARG H H 25 8.165 8.165 8.080 0.085 17533
259 1 3 . 1 1 26 26 LEU N N 26 119.870 119.870 118.716 1.154 17533
260 1 3 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.479 -0.236 17533
261 1 3 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.124 2.826 17533
262 1 3 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.706 -0.186 17533
263 1 3 . 1 1 26 26 LEU H H 26 7.833 7.833 7.266 0.567 17533
264 1 3 . 1 1 27 27 ASN N N 27 117.025 117.025 118.861 -1.836 17533
265 1 3 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.554 -0.073 17533
266 1 3 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.064 0.886 17533
267 1 3 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.155 0.325 17533
268 1 3 . 1 1 27 27 ASN H H 27 8.078 8.078 8.305 -0.227 17533
269 1 3 . 1 1 28 28 LEU N N 28 120.260 120.260 124.718 -4.458 17533
270 1 3 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.514 -0.152 17533
271 1 3 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.612 0.518 17533
272 1 3 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.273 -0.653 17533
273 1 3 . 1 1 28 28 LEU H H 28 7.976 7.976 8.255 -0.279 17533
274 1 3 . 1 1 29 29 GLY N N 29 108.780 108.780 106.695 2.085 17533
275 1 3 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.894 -0.951 17533
276 1 3 . 1 1 29 29 GLY H H 29 8.050 8.050 8.293 -0.243 17533
277 1 3 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.266 0.103 17533
278 1 3 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.088 -0.018 17533
279 1 3 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.584 2.556 17533
280 1 3 . 1 1 31 31 ALA N N 31 122.230 122.230 120.449 1.781 17533
281 1 3 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.377 -0.203 17533
282 1 3 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.298 0.502 17533
283 1 3 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.826 -1.126 17533
284 1 3 . 1 1 31 31 ALA H H 31 8.308 8.308 8.856 -0.548 17533
285 1 3 . 1 1 32 32 TRP N N 32 119.100 119.100 120.126 -1.026 17533
286 1 3 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.149 -0.587 17533
287 1 3 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.350 -0.080 17533
288 1 3 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.502 -2.792 17533
289 1 3 . 1 1 32 32 TRP H H 32 7.720 7.720 8.083 -0.363 17533
290 1 3 . 1 1 33 33 GLY N N 33 110.630 110.630 107.060 3.570 17533
291 1 3 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.267 0.541 17533
292 1 3 . 1 1 33 33 GLY H H 33 8.105 8.105 8.895 -0.790 17533
293 1 3 . 1 1 34 34 GLY N N 34 107.760 107.760 111.770 -4.010 17533
294 1 3 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.525 0.612 17533
295 1 3 . 1 1 34 34 GLY H H 34 7.382 7.382 8.380 -0.999 17533
296 1 3 . 1 1 35 35 ARG N N 35 119.120 119.120 120.703 -1.583 17533
297 1 3 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.985 0.485 17533
298 1 3 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.708 -0.778 17533
299 1 3 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.690 1.810 17533
300 1 3 . 1 1 35 35 ARG H H 35 7.964 7.964 8.245 -0.281 17533
301 1 4 . 1 1 2 2 GLU N N 2 123.180 123.180 120.717 2.463 17533
302 1 4 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.448 -0.189 17533
303 1 4 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.184 0.605 17533
304 1 4 . 1 1 2 2 GLU CB C 2 30.930 30.930 31.372 -0.442 17533
305 1 4 . 1 1 2 2 GLU H H 2 8.088 8.088 7.808 0.280 17533
306 1 4 . 1 1 3 3 TRP N N 3 123.710 123.710 120.815 2.895 17533
307 1 4 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.973 -0.359 17533
308 1 4 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.902 0.008 17533
309 1 4 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.605 -1.805 17533
310 1 4 . 1 1 3 3 TRP H H 3 8.143 8.143 8.244 -0.101 17533
311 1 4 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.398 -0.108 17533
312 1 4 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.608 0.562 17533
313 1 4 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.133 0.647 17533
314 1 4 . 1 1 5 5 TRP N N 5 117.357 117.357 122.292 -4.935 17533
315 1 4 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.687 -0.063 17533
316 1 4 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.278 1.242 17533
317 1 4 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.446 -0.966 17533
318 1 4 . 1 1 5 5 TRP H H 5 7.371 7.371 7.720 -0.349 17533
319 1 4 . 1 1 6 6 ASN N N 6 119.590 119.590 118.344 1.246 17533
320 1 4 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.236 0.435 17533
321 1 4 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.867 -0.727 17533
322 1 4 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.593 -0.083 17533
323 1 4 . 1 1 6 6 ASN H H 6 7.959 7.959 8.419 -0.460 17533
324 1 4 . 1 1 7 7 ARG N N 7 120.540 120.540 121.711 -1.171 17533
325 1 4 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.776 0.470 17533
326 1 4 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.151 -0.231 17533
327 1 4 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.516 1.964 17533
328 1 4 . 1 1 7 7 ARG H H 7 7.806 7.806 8.539 -0.733 17533
329 1 4 . 1 1 11 11 LYS N N 11 123.510 123.510 122.892 0.618 17533
330 1 4 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.343 -0.067 17533
331 1 4 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.609 0.551 17533
332 1 4 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.903 0.457 17533
333 1 4 . 1 1 11 11 LYS H H 11 8.171 8.171 8.092 0.079 17533
334 1 4 . 1 1 21 21 ASP N N 21 119.900 119.900 119.854 0.046 17533
335 1 4 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.741 -0.244 17533
336 1 4 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.367 -0.067 17533
337 1 4 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.797 -0.467 17533
338 1 4 . 1 1 21 21 ASP H H 21 8.047 8.047 8.089 -0.042 17533
339 1 4 . 1 1 22 22 LYS N N 22 120.130 120.130 120.438 -0.308 17533
340 1 4 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.186 -0.083 17533
341 1 4 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.331 -0.981 17533
342 1 4 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.929 0.791 17533
343 1 4 . 1 1 22 22 LYS H H 22 7.992 7.992 8.485 -0.493 17533
344 1 4 . 1 1 23 23 TRP N N 23 120.070 120.070 119.848 0.222 17533
345 1 4 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.428 0.126 17533
346 1 4 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.861 -0.101 17533
347 1 4 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.817 -0.187 17533
348 1 4 . 1 1 23 23 TRP H H 23 7.995 7.995 7.686 0.309 17533
349 1 4 . 1 1 24 24 CYS N N 24 118.950 118.950 115.834 3.116 17533
350 1 4 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.190 1.270 17533
351 1 4 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.175 0.125 17533
352 1 4 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.612 15.128 17533
353 1 4 . 1 1 24 24 CYS H H 24 8.268 8.268 7.647 0.621 17533
354 1 4 . 1 1 25 25 ARG N N 25 121.070 121.070 118.829 2.241 17533
355 1 4 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.035 0.129 17533
356 1 4 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.910 -1.600 17533
357 1 4 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.526 -0.106 17533
358 1 4 . 1 1 25 25 ARG H H 25 8.165 8.165 6.951 1.214 17533
359 1 4 . 1 1 26 26 LEU N N 26 119.870 119.870 115.782 4.088 17533
360 1 4 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.424 -0.181 17533
361 1 4 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.227 2.723 17533
362 1 4 . 1 1 26 26 LEU CB C 26 42.520 42.520 44.667 -2.147 17533
363 1 4 . 1 1 26 26 LEU H H 26 7.833 7.833 6.872 0.961 17533
364 1 4 . 1 1 27 27 ASN N N 27 117.025 117.025 118.904 -1.879 17533
365 1 4 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.762 -0.281 17533
366 1 4 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.371 0.579 17533
367 1 4 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.205 0.275 17533
368 1 4 . 1 1 27 27 ASN H H 27 8.078 8.078 8.398 -0.320 17533
369 1 4 . 1 1 28 28 LEU N N 28 120.260 120.260 126.368 -6.108 17533
370 1 4 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.274 0.088 17533
371 1 4 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.967 -0.837 17533
372 1 4 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.849 -0.229 17533
373 1 4 . 1 1 28 28 LEU H H 28 7.976 7.976 7.995 -0.019 17533
374 1 4 . 1 1 29 29 GLY N N 29 108.780 108.780 106.009 2.771 17533
375 1 4 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.557 0.386 17533
376 1 4 . 1 1 29 29 GLY H H 29 8.050 8.050 8.285 -0.235 17533
377 1 4 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.182 0.187 17533
378 1 4 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.100 -0.030 17533
379 1 4 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.715 2.425 17533
380 1 4 . 1 1 31 31 ALA N N 31 122.230 122.230 121.431 0.799 17533
381 1 4 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.384 -0.210 17533
382 1 4 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.297 0.503 17533
383 1 4 . 1 1 31 31 ALA CB C 31 18.700 18.700 20.023 -1.323 17533
384 1 4 . 1 1 31 31 ALA H H 31 8.308 8.308 8.757 -0.449 17533
385 1 4 . 1 1 32 32 TRP N N 32 119.100 119.100 120.180 -1.080 17533
386 1 4 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.946 -0.384 17533
387 1 4 . 1 1 32 32 TRP CA C 32 57.270 57.270 56.967 0.303 17533
388 1 4 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.930 -2.220 17533
389 1 4 . 1 1 32 32 TRP H H 32 7.720 7.720 8.103 -0.383 17533
390 1 4 . 1 1 33 33 GLY N N 33 110.630 110.630 106.614 4.016 17533
391 1 4 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.904 0.905 17533
392 1 4 . 1 1 33 33 GLY H H 33 8.105 8.105 8.513 -0.408 17533
393 1 4 . 1 1 34 34 GLY N N 34 107.760 107.760 108.881 -1.121 17533
394 1 4 . 1 1 34 34 GLY CA C 34 45.137 45.137 46.290 -1.153 17533
395 1 4 . 1 1 34 34 GLY H H 34 7.382 7.382 8.660 -1.278 17533
396 1 4 . 1 1 35 35 ARG N N 35 119.120 119.120 121.200 -2.080 17533
397 1 4 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.195 0.275 17533
398 1 4 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.338 -0.408 17533
399 1 4 . 1 1 35 35 ARG CB C 35 31.500 31.500 28.261 3.239 17533
400 1 4 . 1 1 35 35 ARG H H 35 7.964 7.964 8.132 -0.168 17533
401 1 5 . 1 1 2 2 GLU N N 2 123.180 123.180 122.414 0.766 17533
402 1 5 . 1 1 2 2 GLU HA H 2 4.259 4.259 3.744 0.515 17533
403 1 5 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.847 -0.057 17533
404 1 5 . 1 1 2 2 GLU CB C 2 30.930 30.930 27.308 3.623 17533
405 1 5 . 1 1 2 2 GLU H H 2 8.088 8.088 8.189 -0.101 17533
406 1 5 . 1 1 3 3 TRP N N 3 123.710 123.710 122.593 1.117 17533
407 1 5 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.482 0.132 17533
408 1 5 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.035 0.875 17533
409 1 5 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.219 -0.419 17533
410 1 5 . 1 1 3 3 TRP H H 3 8.143 8.143 7.543 0.600 17533
411 1 5 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.240 0.050 17533
412 1 5 . 1 1 4 4 PRO CA C 4 64.170 64.170 62.990 1.180 17533
413 1 5 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.529 1.251 17533
414 1 5 . 1 1 5 5 TRP N N 5 117.357 117.357 126.833 -9.476 17533
415 1 5 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.739 -0.115 17533
416 1 5 . 1 1 5 5 TRP CA C 5 57.520 57.520 55.608 1.911 17533
417 1 5 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.133 0.347 17533
418 1 5 . 1 1 5 5 TRP H H 5 7.371 7.371 7.551 -0.180 17533
419 1 5 . 1 1 6 6 ASN N N 6 119.590 119.590 120.166 -0.576 17533
420 1 5 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.469 0.202 17533
421 1 5 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.530 -0.390 17533
422 1 5 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.676 -0.166 17533
423 1 5 . 1 1 6 6 ASN H H 6 7.959 7.959 8.446 -0.487 17533
424 1 5 . 1 1 7 7 ARG N N 7 120.540 120.540 122.377 -1.837 17533
425 1 5 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.513 -0.267 17533
426 1 5 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.861 0.059 17533
427 1 5 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.294 1.186 17533
428 1 5 . 1 1 7 7 ARG H H 7 7.806 7.806 8.524 -0.718 17533
429 1 5 . 1 1 11 11 LYS N N 11 123.510 123.510 122.839 0.671 17533
430 1 5 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.138 0.138 17533
431 1 5 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.228 -0.068 17533
432 1 5 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.370 0.991 17533
433 1 5 . 1 1 11 11 LYS H H 11 8.171 8.171 8.197 -0.026 17533
434 1 5 . 1 1 21 21 ASP N N 21 119.900 119.900 121.934 -2.034 17533
435 1 5 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.706 -0.209 17533
436 1 5 . 1 1 21 21 ASP CA C 21 54.300 54.300 53.959 0.341 17533
437 1 5 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.644 0.686 17533
438 1 5 . 1 1 21 21 ASP H H 21 8.047 8.047 8.186 -0.139 17533
439 1 5 . 1 1 22 22 LYS N N 22 120.130 120.130 120.839 -0.709 17533
440 1 5 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.840 0.263 17533
441 1 5 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.003 -0.653 17533
442 1 5 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.350 1.370 17533
443 1 5 . 1 1 22 22 LYS H H 22 7.992 7.992 8.625 -0.633 17533
444 1 5 . 1 1 23 23 TRP N N 23 120.070 120.070 118.722 1.348 17533
445 1 5 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.330 0.224 17533
446 1 5 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.385 1.375 17533
447 1 5 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.363 0.268 17533
448 1 5 . 1 1 23 23 TRP H H 23 7.995 7.995 7.812 0.183 17533
449 1 5 . 1 1 24 24 CYS N N 24 118.950 118.950 119.827 -0.877 17533
450 1 5 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.229 1.231 17533
451 1 5 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.197 -0.897 17533
452 1 5 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.230 14.509 17533
453 1 5 . 1 1 24 24 CYS H H 24 8.268 8.268 7.260 1.008 17533
454 1 5 . 1 1 25 25 ARG N N 25 121.070 121.070 123.710 -2.640 17533
455 1 5 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.263 -0.099 17533
456 1 5 . 1 1 25 25 ARG CA C 25 56.310 56.310 56.283 0.027 17533
457 1 5 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.686 -0.266 17533
458 1 5 . 1 1 25 25 ARG H H 25 8.165 8.165 8.369 -0.204 17533
459 1 5 . 1 1 26 26 LEU N N 26 119.870 119.870 116.837 3.033 17533
460 1 5 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.691 -0.448 17533
461 1 5 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.279 3.671 17533
462 1 5 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.300 0.220 17533
463 1 5 . 1 1 26 26 LEU H H 26 7.833 7.833 7.302 0.531 17533
464 1 5 . 1 1 27 27 ASN N N 27 117.025 117.025 118.767 -1.742 17533
465 1 5 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.534 -0.053 17533
466 1 5 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.301 0.649 17533
467 1 5 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.421 0.059 17533
468 1 5 . 1 1 27 27 ASN H H 27 8.078 8.078 8.263 -0.185 17533
469 1 5 . 1 1 28 28 LEU N N 28 120.260 120.260 124.937 -4.677 17533
470 1 5 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.587 -0.225 17533
471 1 5 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.543 0.587 17533
472 1 5 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.709 -1.089 17533
473 1 5 . 1 1 28 28 LEU H H 28 7.976 7.976 8.506 -0.530 17533
474 1 5 . 1 1 29 29 GLY N N 29 108.780 108.780 106.050 2.730 17533
475 1 5 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.734 -0.791 17533
476 1 5 . 1 1 29 29 GLY H H 29 8.050 8.050 8.337 -0.287 17533
477 1 5 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.268 0.101 17533
478 1 5 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.096 -0.026 17533
479 1 5 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.556 2.584 17533
480 1 5 . 1 1 31 31 ALA N N 31 122.230 122.230 120.394 1.836 17533
481 1 5 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.378 -0.204 17533
482 1 5 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.313 0.487 17533
483 1 5 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.838 -1.138 17533
484 1 5 . 1 1 31 31 ALA H H 31 8.308 8.308 8.862 -0.554 17533
485 1 5 . 1 1 32 32 TRP N N 32 119.100 119.100 120.133 -1.033 17533
486 1 5 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.904 -0.342 17533
487 1 5 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.225 0.045 17533
488 1 5 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.131 -2.421 17533
489 1 5 . 1 1 32 32 TRP H H 32 7.720 7.720 8.079 -0.359 17533
490 1 5 . 1 1 33 33 GLY N N 33 110.630 110.630 108.211 2.419 17533
491 1 5 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.828 0.981 17533
492 1 5 . 1 1 33 33 GLY H H 33 8.105 8.105 8.727 -0.622 17533
493 1 5 . 1 1 34 34 GLY N N 34 107.760 107.760 112.544 -4.784 17533
494 1 5 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.750 0.387 17533
495 1 5 . 1 1 34 34 GLY H H 34 7.382 7.382 8.399 -1.017 17533
496 1 5 . 1 1 35 35 ARG N N 35 119.120 119.120 124.616 -5.496 17533
497 1 5 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.408 0.062 17533
498 1 5 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.655 0.275 17533
499 1 5 . 1 1 35 35 ARG CB C 35 31.500 31.500 28.153 3.347 17533
500 1 5 . 1 1 35 35 ARG H H 35 7.964 7.964 8.611 -0.647 17533
501 1 6 . 1 1 2 2 GLU N N 2 123.180 123.180 120.860 2.320 17533
502 1 6 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.490 -0.232 17533
503 1 6 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.379 -0.589 17533
504 1 6 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.031 0.899 17533
505 1 6 . 1 1 2 2 GLU H H 2 8.088 8.088 8.515 -0.427 17533
506 1 6 . 1 1 3 3 TRP N N 3 123.710 123.710 125.020 -1.310 17533
507 1 6 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.776 -0.162 17533
508 1 6 . 1 1 3 3 TRP CA C 3 54.910 54.910 56.174 -1.264 17533
509 1 6 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.901 -1.101 17533
510 1 6 . 1 1 3 3 TRP H H 3 8.143 8.143 8.745 -0.602 17533
511 1 6 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.291 -0.001 17533
512 1 6 . 1 1 4 4 PRO CA C 4 64.170 64.170 64.323 -0.153 17533
513 1 6 . 1 1 4 4 PRO CB C 4 31.780 31.780 32.116 -0.336 17533
514 1 6 . 1 1 5 5 TRP N N 5 117.357 117.357 119.381 -2.024 17533
515 1 6 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.384 0.240 17533
516 1 6 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.091 0.429 17533
517 1 6 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.181 0.299 17533
518 1 6 . 1 1 5 5 TRP H H 5 7.371 7.371 8.252 -0.881 17533
519 1 6 . 1 1 6 6 ASN N N 6 119.590 119.590 119.714 -0.124 17533
520 1 6 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.384 0.287 17533
521 1 6 . 1 1 6 6 ASN CA C 6 53.140 53.140 54.003 -0.863 17533
522 1 6 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.865 -0.355 17533
523 1 6 . 1 1 6 6 ASN H H 6 7.959 7.959 8.194 -0.235 17533
524 1 6 . 1 1 7 7 ARG N N 7 120.540 120.540 120.645 -0.105 17533
525 1 6 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.503 -0.257 17533
526 1 6 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.849 0.071 17533
527 1 6 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.403 1.077 17533
528 1 6 . 1 1 7 7 ARG H H 7 7.806 7.806 8.575 -0.769 17533
529 1 6 . 1 1 11 11 LYS N N 11 123.510 123.510 122.094 1.416 17533
530 1 6 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.339 -0.063 17533
531 1 6 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.549 0.611 17533
532 1 6 . 1 1 11 11 LYS CB C 11 33.360 33.360 33.214 0.146 17533
533 1 6 . 1 1 11 11 LYS H H 11 8.171 8.171 8.185 -0.014 17533
534 1 6 . 1 1 21 21 ASP N N 21 119.900 119.900 121.535 -1.635 17533
535 1 6 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.727 -0.230 17533
536 1 6 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.755 -0.455 17533
537 1 6 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.840 -0.510 17533
538 1 6 . 1 1 21 21 ASP H H 21 8.047 8.047 8.166 -0.119 17533
539 1 6 . 1 1 22 22 LYS N N 22 120.130 120.130 120.104 0.026 17533
540 1 6 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.947 0.156 17533
541 1 6 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.498 -1.148 17533
542 1 6 . 1 1 22 22 LYS CB C 22 32.720 32.720 32.044 0.676 17533
543 1 6 . 1 1 22 22 LYS H H 22 7.992 7.992 8.677 -0.685 17533
544 1 6 . 1 1 23 23 TRP N N 23 120.070 120.070 118.921 1.149 17533
545 1 6 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.361 0.193 17533
546 1 6 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.323 1.437 17533
547 1 6 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.559 0.071 17533
548 1 6 . 1 1 23 23 TRP H H 23 7.995 7.995 7.748 0.247 17533
549 1 6 . 1 1 24 24 CYS N N 24 118.950 118.950 116.564 2.386 17533
550 1 6 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.186 1.274 17533
551 1 6 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.300 -1.000 17533
552 1 6 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.183 14.557 17533
553 1 6 . 1 1 24 24 CYS H H 24 8.268 8.268 7.184 1.084 17533
554 1 6 . 1 1 25 25 ARG N N 25 121.070 121.070 124.007 -2.937 17533
555 1 6 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.231 -0.067 17533
556 1 6 . 1 1 25 25 ARG CA C 25 56.310 56.310 56.485 -0.175 17533
557 1 6 . 1 1 25 25 ARG CB C 25 30.420 30.420 31.112 -0.692 17533
558 1 6 . 1 1 25 25 ARG H H 25 8.165 8.165 8.170 -0.005 17533
559 1 6 . 1 1 26 26 LEU N N 26 119.870 119.870 114.604 5.266 17533
560 1 6 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.488 -0.245 17533
561 1 6 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.723 3.227 17533
562 1 6 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.281 0.239 17533
563 1 6 . 1 1 26 26 LEU H H 26 7.833 7.833 7.178 0.655 17533
564 1 6 . 1 1 27 27 ASN N N 27 117.025 117.025 118.731 -1.706 17533
565 1 6 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.390 0.091 17533
566 1 6 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.836 0.114 17533
567 1 6 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.361 0.119 17533
568 1 6 . 1 1 27 27 ASN H H 27 8.078 8.078 8.214 -0.136 17533
569 1 6 . 1 1 28 28 LEU N N 28 120.260 120.260 126.543 -6.283 17533
570 1 6 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.155 0.207 17533
571 1 6 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.370 -0.240 17533
572 1 6 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.292 0.328 17533
573 1 6 . 1 1 28 28 LEU H H 28 7.976 7.976 7.895 0.081 17533
574 1 6 . 1 1 29 29 GLY N N 29 108.780 108.780 104.406 4.374 17533
575 1 6 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.354 0.589 17533
576 1 6 . 1 1 29 29 GLY H H 29 8.050 8.050 8.124 -0.074 17533
577 1 6 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.295 0.074 17533
578 1 6 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.792 0.278 17533
579 1 6 . 1 1 30 30 PRO CB C 30 32.140 32.140 30.023 2.118 17533
580 1 6 . 1 1 31 31 ALA N N 31 122.230 122.230 119.088 3.142 17533
581 1 6 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.451 -0.277 17533
582 1 6 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.368 0.432 17533
583 1 6 . 1 1 31 31 ALA CB C 31 18.700 18.700 20.043 -1.343 17533
584 1 6 . 1 1 31 31 ALA H H 31 8.308 8.308 8.669 -0.361 17533
585 1 6 . 1 1 32 32 TRP N N 32 119.100 119.100 119.633 -0.533 17533
586 1 6 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.090 -0.528 17533
587 1 6 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.218 0.052 17533
588 1 6 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.245 -1.535 17533
589 1 6 . 1 1 32 32 TRP H H 32 7.720 7.720 7.891 -0.171 17533
590 1 6 . 1 1 33 33 GLY N N 33 110.630 110.630 108.889 1.741 17533
591 1 6 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.894 0.915 17533
592 1 6 . 1 1 33 33 GLY H H 33 8.105 8.105 8.795 -0.690 17533
593 1 6 . 1 1 34 34 GLY N N 34 107.760 107.760 108.095 -0.335 17533
594 1 6 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.364 0.773 17533
595 1 6 . 1 1 34 34 GLY H H 34 7.382 7.382 8.203 -0.821 17533
596 1 6 . 1 1 35 35 ARG N N 35 119.120 119.120 120.178 -1.058 17533
597 1 6 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.968 0.502 17533
598 1 6 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.537 -0.607 17533
599 1 6 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.336 2.164 17533
600 1 6 . 1 1 35 35 ARG H H 35 7.964 7.964 8.312 -0.348 17533
601 1 7 . 1 1 2 2 GLU N N 2 123.180 123.180 122.433 0.747 17533
602 1 7 . 1 1 2 2 GLU HA H 2 4.259 4.259 3.674 0.585 17533
603 1 7 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.221 -0.431 17533
604 1 7 . 1 1 2 2 GLU CB C 2 30.930 30.930 28.914 2.016 17533
605 1 7 . 1 1 2 2 GLU H H 2 8.088 8.088 6.703 1.385 17533
606 1 7 . 1 1 3 3 TRP N N 3 123.710 123.710 126.235 -2.525 17533
607 1 7 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.919 -0.305 17533
608 1 7 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.168 0.742 17533
609 1 7 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.011 -1.211 17533
610 1 7 . 1 1 3 3 TRP H H 3 8.143 8.143 8.104 0.039 17533
611 1 7 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.204 0.086 17533
612 1 7 . 1 1 4 4 PRO CA C 4 64.170 64.170 62.824 1.346 17533
613 1 7 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.472 0.308 17533
614 1 7 . 1 1 5 5 TRP N N 5 117.357 117.357 117.603 -0.246 17533
615 1 7 . 1 1 5 5 TRP HA H 5 4.624 4.624 3.266 1.358 17533
616 1 7 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.849 0.671 17533
617 1 7 . 1 1 5 5 TRP CB C 5 28.480 28.480 27.503 0.977 17533
618 1 7 . 1 1 5 5 TRP H H 5 7.371 7.371 5.589 1.782 17533
619 1 7 . 1 1 6 6 ASN N N 6 119.590 119.590 117.792 1.798 17533
620 1 7 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.414 0.257 17533
621 1 7 . 1 1 6 6 ASN CA C 6 53.140 53.140 52.382 0.758 17533
622 1 7 . 1 1 6 6 ASN CB C 6 38.510 38.510 39.263 -0.753 17533
623 1 7 . 1 1 6 6 ASN H H 6 7.959 7.959 7.132 0.827 17533
624 1 7 . 1 1 7 7 ARG N N 7 120.540 120.540 120.531 0.009 17533
625 1 7 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.948 0.298 17533
626 1 7 . 1 1 7 7 ARG CA C 7 55.920 55.920 57.300 -1.380 17533
627 1 7 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.675 1.804 17533
628 1 7 . 1 1 7 7 ARG H H 7 7.806 7.806 8.678 -0.872 17533
629 1 7 . 1 1 11 11 LYS N N 11 123.510 123.510 121.220 2.290 17533
630 1 7 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.530 -0.254 17533
631 1 7 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.421 0.739 17533
632 1 7 . 1 1 11 11 LYS CB C 11 33.360 33.360 33.211 0.149 17533
633 1 7 . 1 1 11 11 LYS H H 11 8.171 8.171 8.482 -0.311 17533
634 1 7 . 1 1 21 21 ASP N N 21 119.900 119.900 124.121 -4.221 17533
635 1 7 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.703 -0.206 17533
636 1 7 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.623 -0.323 17533
637 1 7 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.542 0.788 17533
638 1 7 . 1 1 21 21 ASP H H 21 8.047 8.047 8.239 -0.192 17533
639 1 7 . 1 1 22 22 LYS N N 22 120.130 120.130 119.303 0.827 17533
640 1 7 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.988 0.115 17533
641 1 7 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.209 -0.859 17533
642 1 7 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.247 1.473 17533
643 1 7 . 1 1 22 22 LYS H H 22 7.992 7.992 8.426 -0.434 17533
644 1 7 . 1 1 23 23 TRP N N 23 120.070 120.070 119.148 0.922 17533
645 1 7 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.363 0.191 17533
646 1 7 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.931 -0.171 17533
647 1 7 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.509 0.121 17533
648 1 7 . 1 1 23 23 TRP H H 23 7.995 7.995 7.853 0.142 17533
649 1 7 . 1 1 24 24 CYS N N 24 118.950 118.950 122.759 -3.809 17533
650 1 7 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.383 1.077 17533
651 1 7 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.927 -0.627 17533
652 1 7 . 1 1 24 24 CYS CB C 24 40.740 40.740 27.295 13.445 17533
653 1 7 . 1 1 24 24 CYS H H 24 8.268 8.268 7.815 0.453 17533
654 1 7 . 1 1 25 25 ARG N N 25 121.070 121.070 121.691 -0.621 17533
655 1 7 . 1 1 25 25 ARG HA H 25 4.164 4.164 3.856 0.308 17533
656 1 7 . 1 1 25 25 ARG CA C 25 56.310 56.310 58.062 -1.752 17533
657 1 7 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.096 0.324 17533
658 1 7 . 1 1 25 25 ARG H H 25 8.165 8.165 7.384 0.781 17533
659 1 7 . 1 1 26 26 LEU N N 26 119.870 119.870 117.991 1.879 17533
660 1 7 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.329 -0.086 17533
661 1 7 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.300 3.650 17533
662 1 7 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.481 0.039 17533
663 1 7 . 1 1 26 26 LEU H H 26 7.833 7.833 7.153 0.680 17533
664 1 7 . 1 1 27 27 ASN N N 27 117.025 117.025 119.151 -2.126 17533
665 1 7 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.241 0.240 17533
666 1 7 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.741 0.209 17533
667 1 7 . 1 1 27 27 ASN CB C 27 38.480 38.480 37.442 1.038 17533
668 1 7 . 1 1 27 27 ASN H H 27 8.078 8.078 8.181 -0.103 17533
669 1 7 . 1 1 28 28 LEU N N 28 120.260 120.260 122.131 -1.871 17533
670 1 7 . 1 1 28 28 LEU HA H 28 4.362 4.362 3.981 0.381 17533
671 1 7 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.707 -0.577 17533
672 1 7 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.416 0.204 17533
673 1 7 . 1 1 28 28 LEU H H 28 7.976 7.976 7.735 0.241 17533
674 1 7 . 1 1 29 29 GLY N N 29 108.780 108.780 102.784 5.996 17533
675 1 7 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.668 -0.725 17533
676 1 7 . 1 1 29 29 GLY H H 29 8.050 8.050 8.348 -0.298 17533
677 1 7 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.273 0.096 17533
678 1 7 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.067 0.003 17533
679 1 7 . 1 1 30 30 PRO CB C 30 32.140 32.140 30.445 1.695 17533
680 1 7 . 1 1 31 31 ALA N N 31 122.230 122.230 118.178 4.052 17533
681 1 7 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.437 -0.263 17533
682 1 7 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.271 0.529 17533
683 1 7 . 1 1 31 31 ALA CB C 31 18.700 18.700 20.140 -1.440 17533
684 1 7 . 1 1 31 31 ALA H H 31 8.308 8.308 8.323 -0.015 17533
685 1 7 . 1 1 32 32 TRP N N 32 119.100 119.100 120.563 -1.463 17533
686 1 7 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.941 -0.379 17533
687 1 7 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.637 -0.367 17533
688 1 7 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.766 -2.056 17533
689 1 7 . 1 1 32 32 TRP H H 32 7.720 7.720 8.241 -0.521 17533
690 1 7 . 1 1 33 33 GLY N N 33 110.630 110.630 109.258 1.372 17533
691 1 7 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.293 0.516 17533
692 1 7 . 1 1 33 33 GLY H H 33 8.105 8.105 8.609 -0.504 17533
693 1 7 . 1 1 34 34 GLY N N 34 107.760 107.760 111.184 -3.424 17533
694 1 7 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.126 0.011 17533
695 1 7 . 1 1 34 34 GLY H H 34 7.382 7.382 8.186 -0.804 17533
696 1 7 . 1 1 35 35 ARG N N 35 119.120 119.120 118.792 0.328 17533
697 1 7 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.388 0.082 17533
698 1 7 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.916 0.014 17533
699 1 7 . 1 1 35 35 ARG CB C 35 31.500 31.500 32.936 -1.436 17533
700 1 7 . 1 1 35 35 ARG H H 35 7.964 7.964 8.159 -0.195 17533
701 1 8 . 1 1 2 2 GLU N N 2 123.180 123.180 123.304 -0.124 17533
702 1 8 . 1 1 2 2 GLU HA H 2 4.259 4.259 3.323 0.936 17533
703 1 8 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.697 -0.907 17533
704 1 8 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.000 0.930 17533
705 1 8 . 1 1 2 2 GLU H H 2 8.088 8.088 8.202 -0.114 17533
706 1 8 . 1 1 3 3 TRP N N 3 123.710 123.710 119.505 4.205 17533
707 1 8 . 1 1 3 3 TRP HA H 3 4.614 4.614 5.054 -0.440 17533
708 1 8 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.434 0.476 17533
709 1 8 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.211 -0.411 17533
710 1 8 . 1 1 3 3 TRP H H 3 8.143 8.143 8.051 0.092 17533
711 1 8 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.511 -0.221 17533
712 1 8 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.401 0.769 17533
713 1 8 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.595 1.185 17533
714 1 8 . 1 1 5 5 TRP N N 5 117.357 117.357 121.610 -4.253 17533
715 1 8 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.948 -0.324 17533
716 1 8 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.285 1.234 17533
717 1 8 . 1 1 5 5 TRP CB C 5 28.480 28.480 27.566 0.914 17533
718 1 8 . 1 1 5 5 TRP H H 5 7.371 7.371 7.987 -0.616 17533
719 1 8 . 1 1 6 6 ASN N N 6 119.590 119.590 119.200 0.390 17533
720 1 8 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.863 -0.192 17533
721 1 8 . 1 1 6 6 ASN CA C 6 53.140 53.140 51.766 1.374 17533
722 1 8 . 1 1 6 6 ASN CB C 6 38.510 38.510 39.329 -0.819 17533
723 1 8 . 1 1 6 6 ASN H H 6 7.959 7.959 8.079 -0.120 17533
724 1 8 . 1 1 7 7 ARG N N 7 120.540 120.540 121.488 -0.948 17533
725 1 8 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.925 0.321 17533
726 1 8 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.806 -0.886 17533
727 1 8 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.913 1.567 17533
728 1 8 . 1 1 7 7 ARG H H 7 7.806 7.806 8.535 -0.729 17533
729 1 8 . 1 1 11 11 LYS N N 11 123.510 123.510 125.556 -2.046 17533
730 1 8 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.312 -0.036 17533
731 1 8 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.830 0.330 17533
732 1 8 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.032 1.328 17533
733 1 8 . 1 1 11 11 LYS H H 11 8.171 8.171 8.307 -0.136 17533
734 1 8 . 1 1 21 21 ASP N N 21 119.900 119.900 124.530 -4.630 17533
735 1 8 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.677 -0.180 17533
736 1 8 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.500 -0.200 17533
737 1 8 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.415 0.915 17533
738 1 8 . 1 1 21 21 ASP H H 21 8.047 8.047 8.333 -0.286 17533
739 1 8 . 1 1 22 22 LYS N N 22 120.130 120.130 120.707 -0.577 17533
740 1 8 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.722 0.381 17533
741 1 8 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.062 -0.712 17533
742 1 8 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.339 1.381 17533
743 1 8 . 1 1 22 22 LYS H H 22 7.992 7.992 8.387 -0.395 17533
744 1 8 . 1 1 23 23 TRP N N 23 120.070 120.070 117.949 2.121 17533
745 1 8 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.330 0.224 17533
746 1 8 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.342 1.418 17533
747 1 8 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.437 0.193 17533
748 1 8 . 1 1 23 23 TRP H H 23 7.995 7.995 7.527 0.468 17533
749 1 8 . 1 1 24 24 CYS N N 24 118.950 118.950 120.576 -1.626 17533
750 1 8 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.078 1.382 17533
751 1 8 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.810 -0.510 17533
752 1 8 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.637 14.103 17533
753 1 8 . 1 1 24 24 CYS H H 24 8.268 8.268 7.528 0.740 17533
754 1 8 . 1 1 25 25 ARG N N 25 121.070 121.070 121.401 -0.331 17533
755 1 8 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.222 -0.058 17533
756 1 8 . 1 1 25 25 ARG CA C 25 56.310 56.310 56.690 -0.380 17533
757 1 8 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.995 -0.576 17533
758 1 8 . 1 1 25 25 ARG H H 25 8.165 8.165 7.039 1.126 17533
759 1 8 . 1 1 26 26 LEU N N 26 119.870 119.870 118.482 1.388 17533
760 1 8 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.547 -0.304 17533
761 1 8 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.698 3.252 17533
762 1 8 . 1 1 26 26 LEU CB C 26 42.520 42.520 44.030 -1.510 17533
763 1 8 . 1 1 26 26 LEU H H 26 7.833 7.833 6.987 0.846 17533
764 1 8 . 1 1 27 27 ASN N N 27 117.025 117.025 119.813 -2.788 17533
765 1 8 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.627 -0.146 17533
766 1 8 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.259 0.691 17533
767 1 8 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.069 0.411 17533
768 1 8 . 1 1 27 27 ASN H H 27 8.078 8.078 8.347 -0.269 17533
769 1 8 . 1 1 28 28 LEU N N 28 120.260 120.260 126.234 -5.974 17533
770 1 8 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.453 -0.091 17533
771 1 8 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.470 0.660 17533
772 1 8 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.252 0.367 17533
773 1 8 . 1 1 28 28 LEU H H 28 7.976 7.976 8.445 -0.469 17533
774 1 8 . 1 1 29 29 GLY N N 29 108.780 108.780 106.708 2.072 17533
775 1 8 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.800 -0.857 17533
776 1 8 . 1 1 29 29 GLY H H 29 8.050 8.050 8.200 -0.150 17533
777 1 8 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.265 0.104 17533
778 1 8 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.105 -0.035 17533
779 1 8 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.546 2.594 17533
780 1 8 . 1 1 31 31 ALA N N 31 122.230 122.230 120.208 2.022 17533
781 1 8 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.355 -0.181 17533
782 1 8 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.245 0.555 17533
783 1 8 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.722 -1.022 17533
784 1 8 . 1 1 31 31 ALA H H 31 8.308 8.308 8.845 -0.537 17533
785 1 8 . 1 1 32 32 TRP N N 32 119.100 119.100 119.871 -0.771 17533
786 1 8 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.943 -0.381 17533
787 1 8 . 1 1 32 32 TRP CA C 32 57.270 57.270 56.994 0.276 17533
788 1 8 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.068 -2.358 17533
789 1 8 . 1 1 32 32 TRP H H 32 7.720 7.720 7.990 -0.270 17533
790 1 8 . 1 1 33 33 GLY N N 33 110.630 110.630 107.996 2.634 17533
791 1 8 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.013 0.796 17533
792 1 8 . 1 1 33 33 GLY H H 33 8.105 8.105 8.648 -0.543 17533
793 1 8 . 1 1 34 34 GLY N N 34 107.760 107.760 109.120 -1.360 17533
794 1 8 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.531 -0.394 17533
795 1 8 . 1 1 34 34 GLY H H 34 7.382 7.382 8.451 -1.069 17533
796 1 8 . 1 1 35 35 ARG N N 35 119.120 119.120 121.793 -2.673 17533
797 1 8 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.048 0.422 17533
798 1 8 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.369 -0.439 17533
799 1 8 . 1 1 35 35 ARG CB C 35 31.500 31.500 28.476 3.025 17533
800 1 8 . 1 1 35 35 ARG H H 35 7.964 7.964 8.614 -0.650 17533
801 1 9 . 1 1 2 2 GLU N N 2 123.180 123.180 117.906 5.274 17533
802 1 9 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.494 -0.235 17533
803 1 9 . 1 1 2 2 GLU CA C 2 55.790 55.790 54.905 0.885 17533
804 1 9 . 1 1 2 2 GLU CB C 2 30.930 30.930 31.494 -0.564 17533
805 1 9 . 1 1 2 2 GLU H H 2 8.088 8.088 6.658 1.430 17533
806 1 9 . 1 1 3 3 TRP N N 3 123.710 123.710 121.160 2.550 17533
807 1 9 . 1 1 3 3 TRP HA H 3 4.614 4.614 5.083 -0.469 17533
808 1 9 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.629 -0.719 17533
809 1 9 . 1 1 3 3 TRP CB C 3 28.800 28.800 28.992 -0.192 17533
810 1 9 . 1 1 3 3 TRP H H 3 8.143 8.143 8.163 -0.020 17533
811 1 9 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.177 0.113 17533
812 1 9 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.966 0.204 17533
813 1 9 . 1 1 4 4 PRO CB C 4 31.780 31.780 32.053 -0.273 17533
814 1 9 . 1 1 5 5 TRP N N 5 117.357 117.357 118.000 -0.643 17533
815 1 9 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.468 0.156 17533
816 1 9 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.917 0.603 17533
817 1 9 . 1 1 5 5 TRP CB C 5 28.480 28.480 26.962 1.518 17533
818 1 9 . 1 1 5 5 TRP H H 5 7.371 7.371 8.405 -1.034 17533
819 1 9 . 1 1 6 6 ASN N N 6 119.590 119.590 117.806 1.784 17533
820 1 9 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.533 0.138 17533
821 1 9 . 1 1 6 6 ASN CA C 6 53.140 53.140 52.687 0.453 17533
822 1 9 . 1 1 6 6 ASN CB C 6 38.510 38.510 37.463 1.047 17533
823 1 9 . 1 1 6 6 ASN H H 6 7.959 7.959 8.154 -0.195 17533
824 1 9 . 1 1 7 7 ARG N N 7 120.540 120.540 121.792 -1.252 17533
825 1 9 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.437 -0.191 17533
826 1 9 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.020 -0.101 17533
827 1 9 . 1 1 7 7 ARG CB C 7 31.480 31.480 31.449 0.031 17533
828 1 9 . 1 1 7 7 ARG H H 7 7.806 7.806 8.414 -0.608 17533
829 1 9 . 1 1 11 11 LYS N N 11 123.510 123.510 121.710 1.800 17533
830 1 9 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.654 0.622 17533
831 1 9 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.315 -0.155 17533
832 1 9 . 1 1 11 11 LYS CB C 11 33.360 33.360 31.982 1.378 17533
833 1 9 . 1 1 11 11 LYS H H 11 8.171 8.171 8.021 0.150 17533
834 1 9 . 1 1 21 21 ASP N N 21 119.900 119.900 121.495 -1.595 17533
835 1 9 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.781 -0.284 17533
836 1 9 . 1 1 21 21 ASP CA C 21 54.300 54.300 53.991 0.309 17533
837 1 9 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.618 -1.288 17533
838 1 9 . 1 1 21 21 ASP H H 21 8.047 8.047 8.136 -0.089 17533
839 1 9 . 1 1 22 22 LYS N N 22 120.130 120.130 122.194 -2.064 17533
840 1 9 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.841 0.262 17533
841 1 9 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.331 -0.981 17533
842 1 9 . 1 1 22 22 LYS CB C 22 32.720 32.720 29.886 2.834 17533
843 1 9 . 1 1 22 22 LYS H H 22 7.992 7.992 8.631 -0.639 17533
844 1 9 . 1 1 23 23 TRP N N 23 120.070 120.070 120.183 -0.113 17533
845 1 9 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.369 0.185 17533
846 1 9 . 1 1 23 23 TRP CA C 23 57.760 57.760 55.688 2.072 17533
847 1 9 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.522 0.108 17533
848 1 9 . 1 1 23 23 TRP H H 23 7.995 7.995 7.680 0.315 17533
849 1 9 . 1 1 24 24 CYS N N 24 118.950 118.950 121.633 -2.683 17533
850 1 9 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.107 1.353 17533
851 1 9 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.272 -0.972 17533
852 1 9 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.290 14.450 17533
853 1 9 . 1 1 24 24 CYS H H 24 8.268 8.268 7.184 1.084 17533
854 1 9 . 1 1 25 25 ARG N N 25 121.070 121.070 123.422 -2.352 17533
855 1 9 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.184 -0.020 17533
856 1 9 . 1 1 25 25 ARG CA C 25 56.310 56.310 56.801 -0.491 17533
857 1 9 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.584 -0.164 17533
858 1 9 . 1 1 25 25 ARG H H 25 8.165 8.165 8.157 0.008 17533
859 1 9 . 1 1 26 26 LEU N N 26 119.870 119.870 119.728 0.142 17533
860 1 9 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.556 -0.313 17533
861 1 9 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.277 3.673 17533
862 1 9 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.240 0.280 17533
863 1 9 . 1 1 26 26 LEU H H 26 7.833 7.833 7.366 0.467 17533
864 1 9 . 1 1 27 27 ASN N N 27 117.025 117.025 119.634 -2.609 17533
865 1 9 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.615 -0.134 17533
866 1 9 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.061 0.889 17533
867 1 9 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.299 0.181 17533
868 1 9 . 1 1 27 27 ASN H H 27 8.078 8.078 8.285 -0.207 17533
869 1 9 . 1 1 28 28 LEU N N 28 120.260 120.260 124.699 -4.439 17533
870 1 9 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.592 -0.230 17533
871 1 9 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.835 0.295 17533
872 1 9 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.273 -0.653 17533
873 1 9 . 1 1 28 28 LEU H H 28 7.976 7.976 8.330 -0.354 17533
874 1 9 . 1 1 29 29 GLY N N 29 108.780 108.780 106.118 2.662 17533
875 1 9 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.426 -0.483 17533
876 1 9 . 1 1 29 29 GLY H H 29 8.050 8.050 8.197 -0.147 17533
877 1 9 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.301 0.068 17533
878 1 9 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.745 0.325 17533
879 1 9 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.469 2.671 17533
880 1 9 . 1 1 31 31 ALA N N 31 122.230 122.230 119.078 3.152 17533
881 1 9 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.446 -0.272 17533
882 1 9 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.229 0.571 17533
883 1 9 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.334 -0.634 17533
884 1 9 . 1 1 31 31 ALA H H 31 8.308 8.308 8.553 -0.245 17533
885 1 9 . 1 1 32 32 TRP N N 32 119.100 119.100 120.200 -1.100 17533
886 1 9 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.918 -0.356 17533
887 1 9 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.202 0.068 17533
888 1 9 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.071 -2.361 17533
889 1 9 . 1 1 32 32 TRP H H 32 7.720 7.720 8.130 -0.410 17533
890 1 9 . 1 1 33 33 GLY N N 33 110.630 110.630 108.223 2.407 17533
891 1 9 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.983 0.826 17533
892 1 9 . 1 1 33 33 GLY H H 33 8.105 8.105 8.781 -0.676 17533
893 1 9 . 1 1 34 34 GLY N N 34 107.760 107.760 110.424 -2.664 17533
894 1 9 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.499 0.638 17533
895 1 9 . 1 1 34 34 GLY H H 34 7.382 7.382 8.373 -0.991 17533
896 1 9 . 1 1 35 35 ARG N N 35 119.120 119.120 121.678 -2.558 17533
897 1 9 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.387 0.083 17533
898 1 9 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.349 -0.419 17533
899 1 9 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.299 2.201 17533
900 1 9 . 1 1 35 35 ARG H H 35 7.964 7.964 8.330 -0.366 17533
901 1 10 . 1 1 2 2 GLU N N 2 123.180 123.180 119.326 3.854 17533
902 1 10 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.063 0.196 17533
903 1 10 . 1 1 2 2 GLU CA C 2 55.790 55.790 57.248 -1.458 17533
904 1 10 . 1 1 2 2 GLU CB C 2 30.930 30.930 27.643 3.287 17533
905 1 10 . 1 1 2 2 GLU H H 2 8.088 8.088 8.107 -0.019 17533
906 1 10 . 1 1 3 3 TRP N N 3 123.710 123.710 120.390 3.320 17533
907 1 10 . 1 1 3 3 TRP HA H 3 4.614 4.614 5.052 -0.438 17533
908 1 10 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.333 0.577 17533
909 1 10 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.616 -1.816 17533
910 1 10 . 1 1 3 3 TRP H H 3 8.143 8.143 7.957 0.186 17533
911 1 10 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.355 -0.065 17533
912 1 10 . 1 1 4 4 PRO CA C 4 64.170 64.170 62.706 1.464 17533
913 1 10 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.331 0.450 17533
914 1 10 . 1 1 5 5 TRP N N 5 117.357 117.357 126.637 -9.280 17533
915 1 10 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.791 -0.167 17533
916 1 10 . 1 1 5 5 TRP CA C 5 57.520 57.520 54.653 2.867 17533
917 1 10 . 1 1 5 5 TRP CB C 5 28.480 28.480 27.352 1.128 17533
918 1 10 . 1 1 5 5 TRP H H 5 7.371 7.371 8.135 -0.764 17533
919 1 10 . 1 1 6 6 ASN N N 6 119.590 119.590 119.914 -0.324 17533
920 1 10 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.655 0.016 17533
921 1 10 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.096 0.044 17533
922 1 10 . 1 1 6 6 ASN CB C 6 38.510 38.510 39.803 -1.292 17533
923 1 10 . 1 1 6 6 ASN H H 6 7.959 7.959 7.637 0.322 17533
924 1 10 . 1 1 7 7 ARG N N 7 120.540 120.540 124.310 -3.770 17533
925 1 10 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.517 -0.271 17533
926 1 10 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.190 -0.270 17533
927 1 10 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.303 1.177 17533
928 1 10 . 1 1 7 7 ARG H H 7 7.806 7.806 8.528 -0.722 17533
929 1 10 . 1 1 11 11 LYS N N 11 123.510 123.510 123.031 0.479 17533
930 1 10 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.593 -0.317 17533
931 1 10 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.152 0.008 17533
932 1 10 . 1 1 11 11 LYS CB C 11 33.360 33.360 33.234 0.126 17533
933 1 10 . 1 1 11 11 LYS H H 11 8.171 8.171 8.407 -0.236 17533
934 1 10 . 1 1 21 21 ASP N N 21 119.900 119.900 120.714 -0.814 17533
935 1 10 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.774 -0.277 17533
936 1 10 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.509 -0.209 17533
937 1 10 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.917 -0.587 17533
938 1 10 . 1 1 21 21 ASP H H 21 8.047 8.047 7.968 0.079 17533
939 1 10 . 1 1 22 22 LYS N N 22 120.130 120.130 120.798 -0.668 17533
940 1 10 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.962 0.141 17533
941 1 10 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.339 -0.989 17533
942 1 10 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.907 0.813 17533
943 1 10 . 1 1 22 22 LYS H H 22 7.992 7.992 8.502 -0.510 17533
944 1 10 . 1 1 23 23 TRP N N 23 120.070 120.070 119.430 0.640 17533
945 1 10 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.413 0.141 17533
946 1 10 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.941 0.819 17533
947 1 10 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.539 0.091 17533
948 1 10 . 1 1 23 23 TRP H H 23 7.995 7.995 7.773 0.222 17533
949 1 10 . 1 1 24 24 CYS N N 24 118.950 118.950 121.866 -2.916 17533
950 1 10 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.139 1.321 17533
951 1 10 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.118 -0.818 17533
952 1 10 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.225 14.515 17533
953 1 10 . 1 1 24 24 CYS H H 24 8.268 8.268 7.188 1.080 17533
954 1 10 . 1 1 25 25 ARG N N 25 121.070 121.070 124.071 -3.001 17533
955 1 10 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.115 0.049 17533
956 1 10 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.030 -0.720 17533
957 1 10 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.557 -0.137 17533
958 1 10 . 1 1 25 25 ARG H H 25 8.165 8.165 8.071 0.094 17533
959 1 10 . 1 1 26 26 LEU N N 26 119.870 119.870 118.769 1.101 17533
960 1 10 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.532 -0.289 17533
961 1 10 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.373 2.577 17533
962 1 10 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.298 -0.778 17533
963 1 10 . 1 1 26 26 LEU H H 26 7.833 7.833 7.213 0.620 17533
964 1 10 . 1 1 27 27 ASN N N 27 117.025 117.025 118.717 -1.692 17533
965 1 10 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.565 -0.084 17533
966 1 10 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.578 0.372 17533
967 1 10 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.734 -0.254 17533
968 1 10 . 1 1 27 27 ASN H H 27 8.078 8.078 8.237 -0.159 17533
969 1 10 . 1 1 28 28 LEU N N 28 120.260 120.260 126.377 -6.117 17533
970 1 10 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.478 -0.116 17533
971 1 10 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.727 0.403 17533
972 1 10 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.194 -0.574 17533
973 1 10 . 1 1 28 28 LEU H H 28 7.976 7.976 8.892 -0.916 17533
974 1 10 . 1 1 29 29 GLY N N 29 108.780 108.780 105.732 3.048 17533
975 1 10 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.760 -0.817 17533
976 1 10 . 1 1 29 29 GLY H H 29 8.050 8.050 8.285 -0.235 17533
977 1 10 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.245 0.124 17533
978 1 10 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.152 -0.082 17533
979 1 10 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.530 2.610 17533
980 1 10 . 1 1 31 31 ALA N N 31 122.230 122.230 119.944 2.286 17533
981 1 10 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.328 -0.154 17533
982 1 10 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.272 0.528 17533
983 1 10 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.775 -1.075 17533
984 1 10 . 1 1 31 31 ALA H H 31 8.308 8.308 8.856 -0.548 17533
985 1 10 . 1 1 32 32 TRP N N 32 119.100 119.100 118.787 0.313 17533
986 1 10 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.004 -0.442 17533
987 1 10 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.177 0.093 17533
988 1 10 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.831 -2.121 17533
989 1 10 . 1 1 32 32 TRP H H 32 7.720 7.720 8.117 -0.397 17533
990 1 10 . 1 1 33 33 GLY N N 33 110.630 110.630 107.156 3.474 17533
991 1 10 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.496 0.313 17533
992 1 10 . 1 1 33 33 GLY H H 33 8.105 8.105 8.798 -0.693 17533
993 1 10 . 1 1 34 34 GLY N N 34 107.760 107.760 105.821 1.939 17533
994 1 10 . 1 1 34 34 GLY CA C 34 45.137 45.137 43.698 1.439 17533
995 1 10 . 1 1 34 34 GLY H H 34 7.382 7.382 8.026 -0.644 17533
996 1 10 . 1 1 35 35 ARG N N 35 119.120 119.120 118.756 0.364 17533
997 1 10 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.976 0.494 17533
998 1 10 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.108 -0.178 17533
999 1 10 . 1 1 35 35 ARG CB C 35 31.500 31.500 28.300 3.200 17533
1000 1 10 . 1 1 35 35 ARG H H 35 7.964 7.964 8.425 -0.461 17533
1001 1 11 . 1 1 2 2 GLU N N 2 123.180 123.180 121.154 2.026 17533
1002 1 11 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.746 -0.487 17533
1003 1 11 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.978 -0.188 17533
1004 1 11 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.799 0.131 17533
1005 1 11 . 1 1 2 2 GLU H H 2 8.088 8.088 8.395 -0.307 17533
1006 1 11 . 1 1 3 3 TRP N N 3 123.710 123.710 124.444 -0.734 17533
1007 1 11 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.461 0.153 17533
1008 1 11 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.624 -0.714 17533
1009 1 11 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.661 -0.861 17533
1010 1 11 . 1 1 3 3 TRP H H 3 8.143 8.143 8.847 -0.704 17533
1011 1 11 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.337 -0.047 17533
1012 1 11 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.630 0.539 17533
1013 1 11 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.761 1.019 17533
1014 1 11 . 1 1 5 5 TRP N N 5 117.357 117.357 120.004 -2.647 17533
1015 1 11 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.602 0.022 17533
1016 1 11 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.258 0.262 17533
1017 1 11 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.207 -0.727 17533
1018 1 11 . 1 1 5 5 TRP H H 5 7.371 7.371 7.905 -0.534 17533
1019 1 11 . 1 1 6 6 ASN N N 6 119.590 119.590 115.116 4.474 17533
1020 1 11 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.524 0.147 17533
1021 1 11 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.992 -0.852 17533
1022 1 11 . 1 1 6 6 ASN CB C 6 38.510 38.510 36.671 1.839 17533
1023 1 11 . 1 1 6 6 ASN H H 6 7.959 7.959 7.855 0.104 17533
1024 1 11 . 1 1 7 7 ARG N N 7 120.540 120.540 119.250 1.290 17533
1025 1 11 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.594 -0.348 17533
1026 1 11 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.221 -0.302 17533
1027 1 11 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.378 2.102 17533
1028 1 11 . 1 1 7 7 ARG H H 7 7.806 7.806 8.554 -0.748 17533
1029 1 11 . 1 1 11 11 LYS N N 11 123.510 123.510 122.168 1.342 17533
1030 1 11 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.000 0.276 17533
1031 1 11 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.977 -0.817 17533
1032 1 11 . 1 1 11 11 LYS CB C 11 33.360 33.360 31.886 1.474 17533
1033 1 11 . 1 1 11 11 LYS H H 11 8.171 8.171 8.127 0.044 17533
1034 1 11 . 1 1 21 21 ASP N N 21 119.900 119.900 122.154 -2.254 17533
1035 1 11 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.868 -0.371 17533
1036 1 11 . 1 1 21 21 ASP CA C 21 54.300 54.300 53.884 0.416 17533
1037 1 11 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.625 -1.295 17533
1038 1 11 . 1 1 21 21 ASP H H 21 8.047 8.047 8.128 -0.081 17533
1039 1 11 . 1 1 22 22 LYS N N 22 120.130 120.130 122.470 -2.340 17533
1040 1 11 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.442 -0.339 17533
1041 1 11 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.626 -1.276 17533
1042 1 11 . 1 1 22 22 LYS CB C 22 32.720 32.720 29.927 2.793 17533
1043 1 11 . 1 1 22 22 LYS H H 22 7.992 7.992 8.771 -0.779 17533
1044 1 11 . 1 1 23 23 TRP N N 23 120.070 120.070 119.907 0.163 17533
1045 1 11 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.430 0.124 17533
1046 1 11 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.873 -0.113 17533
1047 1 11 . 1 1 23 23 TRP CB C 23 29.630 29.630 30.165 -0.535 17533
1048 1 11 . 1 1 23 23 TRP H H 23 7.995 7.995 7.885 0.110 17533
1049 1 11 . 1 1 24 24 CYS N N 24 118.950 118.950 116.433 2.517 17533
1050 1 11 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.447 1.013 17533
1051 1 11 . 1 1 24 24 CYS CA C 24 57.300 57.300 56.348 0.952 17533
1052 1 11 . 1 1 24 24 CYS CB C 24 40.740 40.740 28.874 11.866 17533
1053 1 11 . 1 1 24 24 CYS H H 24 8.268 8.268 7.597 0.671 17533
1054 1 11 . 1 1 25 25 ARG N N 25 121.070 121.070 120.753 0.317 17533
1055 1 11 . 1 1 25 25 ARG HA H 25 4.164 4.164 3.684 0.480 17533
1056 1 11 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.555 -1.245 17533
1057 1 11 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.423 -0.003 17533
1058 1 11 . 1 1 25 25 ARG H H 25 8.165 8.165 7.915 0.250 17533
1059 1 11 . 1 1 26 26 LEU N N 26 119.870 119.870 117.331 2.539 17533
1060 1 11 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.535 -0.292 17533
1061 1 11 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.726 3.224 17533
1062 1 11 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.020 -0.500 17533
1063 1 11 . 1 1 26 26 LEU H H 26 7.833 7.833 7.038 0.795 17533
1064 1 11 . 1 1 27 27 ASN N N 27 117.025 117.025 118.774 -1.749 17533
1065 1 11 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.630 -0.149 17533
1066 1 11 . 1 1 27 27 ASN CA C 27 53.950 53.950 52.530 1.420 17533
1067 1 11 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.602 -0.122 17533
1068 1 11 . 1 1 27 27 ASN H H 27 8.078 8.078 8.245 -0.167 17533
1069 1 11 . 1 1 28 28 LEU N N 28 120.260 120.260 126.593 -6.333 17533
1070 1 11 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.679 -0.317 17533
1071 1 11 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.641 0.489 17533
1072 1 11 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.739 -0.119 17533
1073 1 11 . 1 1 28 28 LEU H H 28 7.976 7.976 8.142 -0.166 17533
1074 1 11 . 1 1 29 29 GLY N N 29 108.780 108.780 106.449 2.331 17533
1075 1 11 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.807 0.136 17533
1076 1 11 . 1 1 29 29 GLY H H 29 8.050 8.050 8.607 -0.557 17533
1077 1 11 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.167 0.202 17533
1078 1 11 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.265 -0.195 17533
1079 1 11 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.543 2.597 17533
1080 1 11 . 1 1 31 31 ALA N N 31 122.230 122.230 120.301 1.929 17533
1081 1 11 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.319 -0.145 17533
1082 1 11 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.128 0.672 17533
1083 1 11 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.513 -0.813 17533
1084 1 11 . 1 1 31 31 ALA H H 31 8.308 8.308 8.855 -0.547 17533
1085 1 11 . 1 1 32 32 TRP N N 32 119.100 119.100 120.400 -1.300 17533
1086 1 11 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.915 -0.353 17533
1087 1 11 . 1 1 32 32 TRP CA C 32 57.270 57.270 56.817 0.453 17533
1088 1 11 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.737 -2.027 17533
1089 1 11 . 1 1 32 32 TRP H H 32 7.720 7.720 8.181 -0.461 17533
1090 1 11 . 1 1 33 33 GLY N N 33 110.630 110.630 107.732 2.898 17533
1091 1 11 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.982 0.827 17533
1092 1 11 . 1 1 33 33 GLY H H 33 8.105 8.105 8.603 -0.498 17533
1093 1 11 . 1 1 34 34 GLY N N 34 107.760 107.760 111.035 -3.275 17533
1094 1 11 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.359 -0.222 17533
1095 1 11 . 1 1 34 34 GLY H H 34 7.382 7.382 8.143 -0.761 17533
1096 1 11 . 1 1 35 35 ARG N N 35 119.120 119.120 121.578 -2.458 17533
1097 1 11 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.801 -0.331 17533
1098 1 11 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.715 0.215 17533
1099 1 11 . 1 1 35 35 ARG CB C 35 31.500 31.500 30.954 0.546 17533
1100 1 11 . 1 1 35 35 ARG H H 35 7.964 7.964 8.571 -0.607 17533
1101 1 12 . 1 1 2 2 GLU N N 2 123.180 123.180 120.754 2.426 17533
1102 1 12 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.295 -0.036 17533
1103 1 12 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.557 0.233 17533
1104 1 12 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.753 0.177 17533
1105 1 12 . 1 1 2 2 GLU H H 2 8.088 8.088 7.927 0.161 17533
1106 1 12 . 1 1 3 3 TRP N N 3 123.710 123.710 122.543 1.167 17533
1107 1 12 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.684 -0.070 17533
1108 1 12 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.278 -0.368 17533
1109 1 12 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.753 -0.953 17533
1110 1 12 . 1 1 3 3 TRP H H 3 8.143 8.143 8.491 -0.348 17533
1111 1 12 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.362 -0.072 17533
1112 1 12 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.623 0.547 17533
1113 1 12 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.794 0.986 17533
1114 1 12 . 1 1 5 5 TRP N N 5 117.357 117.357 124.752 -7.395 17533
1115 1 12 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.797 -0.173 17533
1116 1 12 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.357 1.163 17533
1117 1 12 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.232 0.248 17533
1118 1 12 . 1 1 5 5 TRP H H 5 7.371 7.371 7.805 -0.434 17533
1119 1 12 . 1 1 6 6 ASN N N 6 119.590 119.590 117.945 1.645 17533
1120 1 12 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.342 0.329 17533
1121 1 12 . 1 1 6 6 ASN CA C 6 53.140 53.140 52.424 0.716 17533
1122 1 12 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.846 -0.336 17533
1123 1 12 . 1 1 6 6 ASN H H 6 7.959 7.959 7.762 0.197 17533
1124 1 12 . 1 1 7 7 ARG N N 7 120.540 120.540 121.761 -1.221 17533
1125 1 12 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.991 0.255 17533
1126 1 12 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.764 -0.845 17533
1127 1 12 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.666 1.813 17533
1128 1 12 . 1 1 7 7 ARG H H 7 7.806 7.806 8.531 -0.725 17533
1129 1 12 . 1 1 11 11 LYS N N 11 123.510 123.510 121.924 1.586 17533
1130 1 12 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.994 0.282 17533
1131 1 12 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.407 -0.247 17533
1132 1 12 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.744 0.616 17533
1133 1 12 . 1 1 11 11 LYS H H 11 8.171 8.171 8.037 0.134 17533
1134 1 12 . 1 1 21 21 ASP N N 21 119.900 119.900 124.452 -4.552 17533
1135 1 12 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.605 -0.108 17533
1136 1 12 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.611 -0.311 17533
1137 1 12 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.467 0.863 17533
1138 1 12 . 1 1 21 21 ASP H H 21 8.047 8.047 8.105 -0.058 17533
1139 1 12 . 1 1 22 22 LYS N N 22 120.130 120.130 119.043 1.087 17533
1140 1 12 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.954 0.149 17533
1141 1 12 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.441 -1.091 17533
1142 1 12 . 1 1 22 22 LYS CB C 22 32.720 32.720 29.992 2.728 17533
1143 1 12 . 1 1 22 22 LYS H H 22 7.992 7.992 8.280 -0.288 17533
1144 1 12 . 1 1 23 23 TRP N N 23 120.070 120.070 120.452 -0.382 17533
1145 1 12 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.343 0.211 17533
1146 1 12 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.080 0.680 17533
1147 1 12 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.667 -0.037 17533
1148 1 12 . 1 1 23 23 TRP H H 23 7.995 7.995 7.327 0.668 17533
1149 1 12 . 1 1 24 24 CYS N N 24 118.950 118.950 121.460 -2.510 17533
1150 1 12 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.674 0.786 17533
1151 1 12 . 1 1 24 24 CYS CA C 24 57.300 57.300 58.911 -1.611 17533
1152 1 12 . 1 1 24 24 CYS CB C 24 40.740 40.740 24.770 15.970 17533
1153 1 12 . 1 1 24 24 CYS H H 24 8.268 8.268 7.386 0.882 17533
1154 1 12 . 1 1 25 25 ARG N N 25 121.070 121.070 124.984 -3.914 17533
1155 1 12 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.270 -0.106 17533
1156 1 12 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.140 -0.830 17533
1157 1 12 . 1 1 25 25 ARG CB C 25 30.420 30.420 31.310 -0.890 17533
1158 1 12 . 1 1 25 25 ARG H H 25 8.165 8.165 8.746 -0.582 17533
1159 1 12 . 1 1 26 26 LEU N N 26 119.870 119.870 114.820 5.050 17533
1160 1 12 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.460 -0.217 17533
1161 1 12 . 1 1 26 26 LEU CA C 26 55.950 55.950 51.938 4.011 17533
1162 1 12 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.041 -0.520 17533
1163 1 12 . 1 1 26 26 LEU H H 26 7.833 7.833 7.168 0.665 17533
1164 1 12 . 1 1 27 27 ASN N N 27 117.025 117.025 120.183 -3.158 17533
1165 1 12 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.362 0.119 17533
1166 1 12 . 1 1 27 27 ASN CA C 27 53.950 53.950 54.165 -0.215 17533
1167 1 12 . 1 1 27 27 ASN CB C 27 38.480 38.480 37.856 0.624 17533
1168 1 12 . 1 1 27 27 ASN H H 27 8.078 8.078 8.291 -0.213 17533
1169 1 12 . 1 1 28 28 LEU N N 28 120.260 120.260 123.622 -3.362 17533
1170 1 12 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.234 0.128 17533
1171 1 12 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.751 -0.621 17533
1172 1 12 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.725 -0.105 17533
1173 1 12 . 1 1 28 28 LEU H H 28 7.976 7.976 7.806 0.170 17533
1174 1 12 . 1 1 29 29 GLY N N 29 108.780 108.780 103.705 5.075 17533
1175 1 12 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.286 -0.343 17533
1176 1 12 . 1 1 29 29 GLY H H 29 8.050 8.050 8.096 -0.046 17533
1177 1 12 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.221 0.148 17533
1178 1 12 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.121 -0.051 17533
1179 1 12 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.510 2.630 17533
1180 1 12 . 1 1 31 31 ALA N N 31 122.230 122.230 122.024 0.206 17533
1181 1 12 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.369 -0.195 17533
1182 1 12 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.171 0.629 17533
1183 1 12 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.537 -0.837 17533
1184 1 12 . 1 1 31 31 ALA H H 31 8.308 8.308 8.710 -0.402 17533
1185 1 12 . 1 1 32 32 TRP N N 32 119.100 119.100 119.816 -0.716 17533
1186 1 12 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.006 -0.444 17533
1187 1 12 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.239 0.031 17533
1188 1 12 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.606 -1.896 17533
1189 1 12 . 1 1 32 32 TRP H H 32 7.720 7.720 8.186 -0.466 17533
1190 1 12 . 1 1 33 33 GLY N N 33 110.630 110.630 106.699 3.931 17533
1191 1 12 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.055 0.754 17533
1192 1 12 . 1 1 33 33 GLY H H 33 8.105 8.105 8.618 -0.513 17533
1193 1 12 . 1 1 34 34 GLY N N 34 107.760 107.760 108.512 -0.752 17533
1194 1 12 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.380 -0.243 17533
1195 1 12 . 1 1 34 34 GLY H H 34 7.382 7.382 8.403 -1.021 17533
1196 1 12 . 1 1 35 35 ARG N N 35 119.120 119.120 120.832 -1.712 17533
1197 1 12 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.145 0.325 17533
1198 1 12 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.546 -0.616 17533
1199 1 12 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.779 1.721 17533
1200 1 12 . 1 1 35 35 ARG H H 35 7.964 7.964 8.381 -0.417 17533
1201 1 13 . 1 1 2 2 GLU N N 2 123.180 123.180 120.718 2.462 17533
1202 1 13 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.511 -0.252 17533
1203 1 13 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.229 -0.439 17533
1204 1 13 . 1 1 2 2 GLU CB C 2 30.930 30.930 29.698 1.232 17533
1205 1 13 . 1 1 2 2 GLU H H 2 8.088 8.088 8.301 -0.213 17533
1206 1 13 . 1 1 3 3 TRP N N 3 123.710 123.710 123.678 0.032 17533
1207 1 13 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.404 0.210 17533
1208 1 13 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.299 -0.389 17533
1209 1 13 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.793 -0.993 17533
1210 1 13 . 1 1 3 3 TRP H H 3 8.143 8.143 7.815 0.328 17533
1211 1 13 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.212 0.078 17533
1212 1 13 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.278 0.892 17533
1213 1 13 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.337 1.443 17533
1214 1 13 . 1 1 5 5 TRP N N 5 117.357 117.357 126.402 -9.045 17533
1215 1 13 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.867 -0.243 17533
1216 1 13 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.126 1.394 17533
1217 1 13 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.611 -0.131 17533
1218 1 13 . 1 1 5 5 TRP H H 5 7.371 7.371 8.191 -0.820 17533
1219 1 13 . 1 1 6 6 ASN N N 6 119.590 119.590 119.875 -0.285 17533
1220 1 13 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.874 -0.203 17533
1221 1 13 . 1 1 6 6 ASN CA C 6 53.140 53.140 52.944 0.196 17533
1222 1 13 . 1 1 6 6 ASN CB C 6 38.510 38.510 39.279 -0.769 17533
1223 1 13 . 1 1 6 6 ASN H H 6 7.959 7.959 8.090 -0.131 17533
1224 1 13 . 1 1 7 7 ARG N N 7 120.540 120.540 121.415 -0.875 17533
1225 1 13 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.513 -0.267 17533
1226 1 13 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.704 0.216 17533
1227 1 13 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.990 1.490 17533
1228 1 13 . 1 1 7 7 ARG H H 7 7.806 7.806 8.571 -0.765 17533
1229 1 13 . 1 1 11 11 LYS N N 11 123.510 123.510 120.911 2.599 17533
1230 1 13 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.304 -0.028 17533
1231 1 13 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.589 0.571 17533
1232 1 13 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.528 0.832 17533
1233 1 13 . 1 1 11 11 LYS H H 11 8.171 8.171 7.953 0.218 17533
1234 1 13 . 1 1 21 21 ASP N N 21 119.900 119.900 123.817 -3.917 17533
1235 1 13 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.710 -0.213 17533
1236 1 13 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.888 -0.588 17533
1237 1 13 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.901 -0.571 17533
1238 1 13 . 1 1 21 21 ASP H H 21 8.047 8.047 8.031 0.016 17533
1239 1 13 . 1 1 22 22 LYS N N 22 120.130 120.130 122.576 -2.446 17533
1240 1 13 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.015 0.088 17533
1241 1 13 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.422 -1.072 17533
1242 1 13 . 1 1 22 22 LYS CB C 22 32.720 32.720 29.963 2.757 17533
1243 1 13 . 1 1 22 22 LYS H H 22 7.992 7.992 8.566 -0.574 17533
1244 1 13 . 1 1 23 23 TRP N N 23 120.070 120.070 119.679 0.391 17533
1245 1 13 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.360 0.194 17533
1246 1 13 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.104 0.656 17533
1247 1 13 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.990 -0.360 17533
1248 1 13 . 1 1 23 23 TRP H H 23 7.995 7.995 7.446 0.549 17533
1249 1 13 . 1 1 24 24 CYS N N 24 118.950 118.950 121.375 -2.425 17533
1250 1 13 . 1 1 24 24 CYS HA H 24 4.460 4.460 4.027 0.433 17533
1251 1 13 . 1 1 24 24 CYS CA C 24 57.300 57.300 56.453 0.848 17533
1252 1 13 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.420 15.320 17533
1253 1 13 . 1 1 24 24 CYS H H 24 8.268 8.268 7.744 0.524 17533
1254 1 13 . 1 1 25 25 ARG N N 25 121.070 121.070 126.086 -5.016 17533
1255 1 13 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.310 -0.146 17533
1256 1 13 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.268 -0.958 17533
1257 1 13 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.963 -0.543 17533
1258 1 13 . 1 1 25 25 ARG H H 25 8.165 8.165 8.141 0.024 17533
1259 1 13 . 1 1 26 26 LEU N N 26 119.870 119.870 112.135 7.735 17533
1260 1 13 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.575 -0.332 17533
1261 1 13 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.549 3.401 17533
1262 1 13 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.778 -0.258 17533
1263 1 13 . 1 1 26 26 LEU H H 26 7.833 7.833 7.259 0.574 17533
1264 1 13 . 1 1 27 27 ASN N N 27 117.025 117.025 119.174 -2.149 17533
1265 1 13 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.392 0.089 17533
1266 1 13 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.309 0.641 17533
1267 1 13 . 1 1 27 27 ASN CB C 27 38.480 38.480 37.490 0.990 17533
1268 1 13 . 1 1 27 27 ASN H H 27 8.078 8.078 8.306 -0.228 17533
1269 1 13 . 1 1 28 28 LEU N N 28 120.260 120.260 124.064 -3.804 17533
1270 1 13 . 1 1 28 28 LEU HA H 28 4.362 4.362 3.972 0.390 17533
1271 1 13 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.712 -0.582 17533
1272 1 13 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.490 0.130 17533
1273 1 13 . 1 1 28 28 LEU H H 28 7.976 7.976 8.311 -0.335 17533
1274 1 13 . 1 1 29 29 GLY N N 29 108.780 108.780 105.206 3.574 17533
1275 1 13 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.782 -0.839 17533
1276 1 13 . 1 1 29 29 GLY H H 29 8.050 8.050 8.094 -0.044 17533
1277 1 13 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.276 0.093 17533
1278 1 13 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.767 0.303 17533
1279 1 13 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.460 2.680 17533
1280 1 13 . 1 1 31 31 ALA N N 31 122.230 122.230 119.624 2.606 17533
1281 1 13 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.414 -0.240 17533
1282 1 13 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.191 0.609 17533
1283 1 13 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.222 -0.522 17533
1284 1 13 . 1 1 31 31 ALA H H 31 8.308 8.308 8.562 -0.254 17533
1285 1 13 . 1 1 32 32 TRP N N 32 119.100 119.100 119.855 -0.755 17533
1286 1 13 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.032 -0.470 17533
1287 1 13 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.032 0.238 17533
1288 1 13 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.344 -1.634 17533
1289 1 13 . 1 1 32 32 TRP H H 32 7.720 7.720 8.361 -0.641 17533
1290 1 13 . 1 1 33 33 GLY N N 33 110.630 110.630 108.065 2.565 17533
1291 1 13 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.812 0.997 17533
1292 1 13 . 1 1 33 33 GLY H H 33 8.105 8.105 8.445 -0.340 17533
1293 1 13 . 1 1 34 34 GLY N N 34 107.760 107.760 106.981 0.779 17533
1294 1 13 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.590 0.547 17533
1295 1 13 . 1 1 34 34 GLY H H 34 7.382 7.382 8.316 -0.934 17533
1296 1 13 . 1 1 35 35 ARG N N 35 119.120 119.120 118.202 0.918 17533
1297 1 13 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.988 0.482 17533
1298 1 13 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.673 -0.743 17533
1299 1 13 . 1 1 35 35 ARG CB C 35 31.500 31.500 30.403 1.097 17533
1300 1 13 . 1 1 35 35 ARG H H 35 7.964 7.964 8.523 -0.559 17533
1301 1 14 . 1 1 2 2 GLU N N 2 123.180 123.180 119.072 4.108 17533
1302 1 14 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.795 -0.536 17533
1303 1 14 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.141 -0.351 17533
1304 1 14 . 1 1 2 2 GLU CB C 2 30.930 30.930 31.158 -0.228 17533
1305 1 14 . 1 1 2 2 GLU H H 2 8.088 8.088 8.400 -0.312 17533
1306 1 14 . 1 1 3 3 TRP N N 3 123.710 123.710 127.301 -3.591 17533
1307 1 14 . 1 1 3 3 TRP HA H 3 4.614 4.614 5.096 -0.482 17533
1308 1 14 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.230 -0.320 17533
1309 1 14 . 1 1 3 3 TRP CB C 3 28.800 28.800 31.255 -2.455 17533
1310 1 14 . 1 1 3 3 TRP H H 3 8.143 8.143 8.806 -0.663 17533
1311 1 14 . 1 1 4 4 PRO HA H 4 4.290 4.290 3.784 0.506 17533
1312 1 14 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.586 0.584 17533
1313 1 14 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.865 0.915 17533
1314 1 14 . 1 1 5 5 TRP N N 5 117.357 117.357 113.645 3.712 17533
1315 1 14 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.227 0.397 17533
1316 1 14 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.860 0.660 17533
1317 1 14 . 1 1 5 5 TRP CB C 5 28.480 28.480 26.853 1.627 17533
1318 1 14 . 1 1 5 5 TRP H H 5 7.371 7.371 7.746 -0.375 17533
1319 1 14 . 1 1 6 6 ASN N N 6 119.590 119.590 119.045 0.545 17533
1320 1 14 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.395 0.276 17533
1321 1 14 . 1 1 6 6 ASN CA C 6 53.140 53.140 54.211 -1.071 17533
1322 1 14 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.033 0.477 17533
1323 1 14 . 1 1 6 6 ASN H H 6 7.959 7.959 7.714 0.245 17533
1324 1 14 . 1 1 7 7 ARG N N 7 120.540 120.540 122.714 -2.174 17533
1325 1 14 . 1 1 7 7 ARG HA H 7 4.246 4.246 3.975 0.271 17533
1326 1 14 . 1 1 7 7 ARG CA C 7 55.920 55.920 57.430 -1.510 17533
1327 1 14 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.181 2.299 17533
1328 1 14 . 1 1 7 7 ARG H H 7 7.806 7.806 8.650 -0.844 17533
1329 1 14 . 1 1 11 11 LYS N N 11 123.510 123.510 122.469 1.041 17533
1330 1 14 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.083 0.193 17533
1331 1 14 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.914 0.246 17533
1332 1 14 . 1 1 11 11 LYS CB C 11 33.360 33.360 31.799 1.561 17533
1333 1 14 . 1 1 11 11 LYS H H 11 8.171 8.171 8.002 0.169 17533
1334 1 14 . 1 1 21 21 ASP N N 21 119.900 119.900 120.960 -1.060 17533
1335 1 14 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.821 -0.324 17533
1336 1 14 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.616 -0.316 17533
1337 1 14 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.147 -0.817 17533
1338 1 14 . 1 1 21 21 ASP H H 21 8.047 8.047 8.364 -0.317 17533
1339 1 14 . 1 1 22 22 LYS N N 22 120.130 120.130 123.664 -3.534 17533
1340 1 14 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.942 0.161 17533
1341 1 14 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.427 -1.077 17533
1342 1 14 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.492 1.228 17533
1343 1 14 . 1 1 22 22 LYS H H 22 7.992 7.992 8.737 -0.745 17533
1344 1 14 . 1 1 23 23 TRP N N 23 120.070 120.070 118.544 1.526 17533
1345 1 14 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.443 0.111 17533
1346 1 14 . 1 1 23 23 TRP CA C 23 57.760 57.760 55.954 1.806 17533
1347 1 14 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.893 -0.263 17533
1348 1 14 . 1 1 23 23 TRP H H 23 7.995 7.995 7.823 0.172 17533
1349 1 14 . 1 1 24 24 CYS N N 24 118.950 118.950 121.327 -2.377 17533
1350 1 14 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.171 1.289 17533
1351 1 14 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.679 -0.379 17533
1352 1 14 . 1 1 24 24 CYS CB C 24 40.740 40.740 27.471 13.269 17533
1353 1 14 . 1 1 24 24 CYS H H 24 8.268 8.268 7.419 0.849 17533
1354 1 14 . 1 1 25 25 ARG N N 25 121.070 121.070 121.315 -0.245 17533
1355 1 14 . 1 1 25 25 ARG HA H 25 4.164 4.164 3.729 0.435 17533
1356 1 14 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.471 -1.161 17533
1357 1 14 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.302 0.117 17533
1358 1 14 . 1 1 25 25 ARG H H 25 8.165 8.165 7.296 0.869 17533
1359 1 14 . 1 1 26 26 LEU N N 26 119.870 119.870 117.876 1.994 17533
1360 1 14 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.168 0.075 17533
1361 1 14 . 1 1 26 26 LEU CA C 26 55.950 55.950 54.042 1.908 17533
1362 1 14 . 1 1 26 26 LEU CB C 26 42.520 42.520 41.400 1.120 17533
1363 1 14 . 1 1 26 26 LEU H H 26 7.833 7.833 7.360 0.473 17533
1364 1 14 . 1 1 27 27 ASN N N 27 117.025 117.025 118.007 -0.982 17533
1365 1 14 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.637 -0.156 17533
1366 1 14 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.945 0.005 17533
1367 1 14 . 1 1 27 27 ASN CB C 27 38.480 38.480 39.257 -0.777 17533
1368 1 14 . 1 1 27 27 ASN H H 27 8.078 8.078 8.479 -0.401 17533
1369 1 14 . 1 1 28 28 LEU N N 28 120.260 120.260 121.061 -0.801 17533
1370 1 14 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.500 -0.138 17533
1371 1 14 . 1 1 28 28 LEU CA C 28 55.130 55.130 53.438 1.692 17533
1372 1 14 . 1 1 28 28 LEU CB C 28 42.620 42.620 44.979 -2.359 17533
1373 1 14 . 1 1 28 28 LEU H H 28 7.976 7.976 8.102 -0.126 17533
1374 1 14 . 1 1 29 29 GLY N N 29 108.780 108.780 106.836 1.944 17533
1375 1 14 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.891 0.053 17533
1376 1 14 . 1 1 29 29 GLY H H 29 8.050 8.050 8.487 -0.437 17533
1377 1 14 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.170 0.199 17533
1378 1 14 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.237 -0.167 17533
1379 1 14 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.468 2.672 17533
1380 1 14 . 1 1 31 31 ALA N N 31 122.230 122.230 120.267 1.963 17533
1381 1 14 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.289 -0.115 17533
1382 1 14 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.177 0.623 17533
1383 1 14 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.613 -0.913 17533
1384 1 14 . 1 1 31 31 ALA H H 31 8.308 8.308 8.793 -0.485 17533
1385 1 14 . 1 1 32 32 TRP N N 32 119.100 119.100 119.399 -0.299 17533
1386 1 14 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.975 -0.413 17533
1387 1 14 . 1 1 32 32 TRP CA C 32 57.270 57.270 56.967 0.303 17533
1388 1 14 . 1 1 32 32 TRP CB C 32 29.710 29.710 30.951 -1.240 17533
1389 1 14 . 1 1 32 32 TRP H H 32 7.720 7.720 8.300 -0.580 17533
1390 1 14 . 1 1 33 33 GLY N N 33 110.630 110.630 108.795 1.835 17533
1391 1 14 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.281 0.528 17533
1392 1 14 . 1 1 33 33 GLY H H 33 8.105 8.105 8.601 -0.496 17533
1393 1 14 . 1 1 34 34 GLY N N 34 107.760 107.760 107.792 -0.032 17533
1394 1 14 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.566 0.571 17533
1395 1 14 . 1 1 34 34 GLY H H 34 7.382 7.382 8.083 -0.701 17533
1396 1 14 . 1 1 35 35 ARG N N 35 119.120 119.120 122.875 -3.755 17533
1397 1 14 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.886 0.584 17533
1398 1 14 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.974 -1.044 17533
1399 1 14 . 1 1 35 35 ARG CB C 35 31.500 31.500 30.422 1.077 17533
1400 1 14 . 1 1 35 35 ARG H H 35 7.964 7.964 8.028 -0.064 17533
1401 1 15 . 1 1 2 2 GLU N N 2 123.180 123.180 120.054 3.126 17533
1402 1 15 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.466 -0.207 17533
1403 1 15 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.452 -0.662 17533
1404 1 15 . 1 1 2 2 GLU CB C 2 30.930 30.930 29.069 1.861 17533
1405 1 15 . 1 1 2 2 GLU H H 2 8.088 8.088 8.517 -0.429 17533
1406 1 15 . 1 1 3 3 TRP N N 3 123.710 123.710 123.185 0.525 17533
1407 1 15 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.861 -0.247 17533
1408 1 15 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.687 -0.777 17533
1409 1 15 . 1 1 3 3 TRP CB C 3 28.800 28.800 30.350 -1.550 17533
1410 1 15 . 1 1 3 3 TRP H H 3 8.143 8.143 8.175 -0.032 17533
1411 1 15 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.372 -0.082 17533
1412 1 15 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.568 0.602 17533
1413 1 15 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.607 1.173 17533
1414 1 15 . 1 1 5 5 TRP N N 5 117.357 117.357 118.154 -0.797 17533
1415 1 15 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.790 -0.166 17533
1416 1 15 . 1 1 5 5 TRP CA C 5 57.520 57.520 55.660 1.860 17533
1417 1 15 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.089 0.391 17533
1418 1 15 . 1 1 5 5 TRP H H 5 7.371 7.371 7.753 -0.382 17533
1419 1 15 . 1 1 6 6 ASN N N 6 119.590 119.590 117.494 2.096 17533
1420 1 15 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.106 0.565 17533
1421 1 15 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.512 -0.372 17533
1422 1 15 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.355 0.155 17533
1423 1 15 . 1 1 6 6 ASN H H 6 7.959 7.959 8.344 -0.385 17533
1424 1 15 . 1 1 7 7 ARG N N 7 120.540 120.540 120.802 -0.262 17533
1425 1 15 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.388 -0.142 17533
1426 1 15 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.395 -0.475 17533
1427 1 15 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.669 1.811 17533
1428 1 15 . 1 1 7 7 ARG H H 7 7.806 7.806 8.525 -0.720 17533
1429 1 15 . 1 1 11 11 LYS N N 11 123.510 123.510 122.915 0.595 17533
1430 1 15 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.506 -0.230 17533
1431 1 15 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.465 0.695 17533
1432 1 15 . 1 1 11 11 LYS CB C 11 33.360 33.360 31.743 1.617 17533
1433 1 15 . 1 1 11 11 LYS H H 11 8.171 8.171 8.332 -0.161 17533
1434 1 15 . 1 1 21 21 ASP N N 21 119.900 119.900 121.737 -1.837 17533
1435 1 15 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.783 -0.286 17533
1436 1 15 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.657 -0.357 17533
1437 1 15 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.440 -1.110 17533
1438 1 15 . 1 1 21 21 ASP H H 21 8.047 8.047 8.189 -0.142 17533
1439 1 15 . 1 1 22 22 LYS N N 22 120.130 120.130 121.426 -1.296 17533
1440 1 15 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.942 0.161 17533
1441 1 15 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.306 -0.956 17533
1442 1 15 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.807 0.913 17533
1443 1 15 . 1 1 22 22 LYS H H 22 7.992 7.992 8.524 -0.532 17533
1444 1 15 . 1 1 23 23 TRP N N 23 120.070 120.070 120.267 -0.197 17533
1445 1 15 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.430 0.124 17533
1446 1 15 . 1 1 23 23 TRP CA C 23 57.760 57.760 58.240 -0.480 17533
1447 1 15 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.837 -0.207 17533
1448 1 15 . 1 1 23 23 TRP H H 23 7.995 7.995 7.784 0.211 17533
1449 1 15 . 1 1 24 24 CYS N N 24 118.950 118.950 114.434 4.516 17533
1450 1 15 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.307 1.153 17533
1451 1 15 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.004 0.296 17533
1452 1 15 . 1 1 24 24 CYS CB C 24 40.740 40.740 25.479 15.261 17533
1453 1 15 . 1 1 24 24 CYS H H 24 8.268 8.268 7.602 0.666 17533
1454 1 15 . 1 1 25 25 ARG N N 25 121.070 121.070 120.050 1.020 17533
1455 1 15 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.357 -0.193 17533
1456 1 15 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.241 -0.931 17533
1457 1 15 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.797 -0.376 17533
1458 1 15 . 1 1 25 25 ARG H H 25 8.165 8.165 6.969 1.196 17533
1459 1 15 . 1 1 26 26 LEU N N 26 119.870 119.870 117.340 2.530 17533
1460 1 15 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.443 -0.200 17533
1461 1 15 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.585 2.365 17533
1462 1 15 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.529 -1.009 17533
1463 1 15 . 1 1 26 26 LEU H H 26 7.833 7.833 6.798 1.035 17533
1464 1 15 . 1 1 27 27 ASN N N 27 117.025 117.025 119.872 -2.847 17533
1465 1 15 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.477 0.004 17533
1466 1 15 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.869 0.081 17533
1467 1 15 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.495 -0.015 17533
1468 1 15 . 1 1 27 27 ASN H H 27 8.078 8.078 8.313 -0.235 17533
1469 1 15 . 1 1 28 28 LEU N N 28 120.260 120.260 126.672 -6.412 17533
1470 1 15 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.376 -0.014 17533
1471 1 15 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.489 0.641 17533
1472 1 15 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.541 -0.921 17533
1473 1 15 . 1 1 28 28 LEU H H 28 7.976 7.976 8.123 -0.147 17533
1474 1 15 . 1 1 29 29 GLY N N 29 108.780 108.780 105.930 2.850 17533
1475 1 15 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.281 0.662 17533
1476 1 15 . 1 1 29 29 GLY H H 29 8.050 8.050 8.250 -0.200 17533
1477 1 15 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.251 0.118 17533
1478 1 15 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.667 0.403 17533
1479 1 15 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.933 2.207 17533
1480 1 15 . 1 1 31 31 ALA N N 31 122.230 122.230 119.221 3.009 17533
1481 1 15 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.413 -0.239 17533
1482 1 15 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.358 0.441 17533
1483 1 15 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.868 -1.168 17533
1484 1 15 . 1 1 31 31 ALA H H 31 8.308 8.308 8.602 -0.294 17533
1485 1 15 . 1 1 32 32 TRP N N 32 119.100 119.100 120.958 -1.858 17533
1486 1 15 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.808 -0.246 17533
1487 1 15 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.479 -0.209 17533
1488 1 15 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.462 -2.752 17533
1489 1 15 . 1 1 32 32 TRP H H 32 7.720 7.720 7.735 -0.015 17533
1490 1 15 . 1 1 33 33 GLY N N 33 110.630 110.630 109.120 1.510 17533
1491 1 15 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.585 1.224 17533
1492 1 15 . 1 1 33 33 GLY H H 33 8.105 8.105 8.698 -0.593 17533
1493 1 15 . 1 1 34 34 GLY N N 34 107.760 107.760 111.294 -3.534 17533
1494 1 15 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.846 0.291 17533
1495 1 15 . 1 1 34 34 GLY H H 34 7.382 7.382 8.318 -0.936 17533
1496 1 15 . 1 1 35 35 ARG N N 35 119.120 119.120 125.748 -6.628 17533
1497 1 15 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.308 0.162 17533
1498 1 15 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.828 0.102 17533
1499 1 15 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.056 2.444 17533
1500 1 15 . 1 1 35 35 ARG H H 35 7.964 7.964 8.387 -0.423 17533
1501 1 16 . 1 1 2 2 GLU N N 2 123.180 123.180 117.929 5.251 17533
1502 1 16 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.242 0.017 17533
1503 1 16 . 1 1 2 2 GLU CA C 2 55.790 55.790 55.554 0.236 17533
1504 1 16 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.418 0.512 17533
1505 1 16 . 1 1 2 2 GLU H H 2 8.088 8.088 8.001 0.087 17533
1506 1 16 . 1 1 3 3 TRP N N 3 123.710 123.710 122.663 1.047 17533
1507 1 16 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.720 -0.106 17533
1508 1 16 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.823 -0.913 17533
1509 1 16 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.468 -0.668 17533
1510 1 16 . 1 1 3 3 TRP H H 3 8.143 8.143 8.143 0.000 17533
1511 1 16 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.336 -0.046 17533
1512 1 16 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.468 0.702 17533
1513 1 16 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.806 0.974 17533
1514 1 16 . 1 1 5 5 TRP N N 5 117.357 117.357 126.729 -9.372 17533
1515 1 16 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.780 -0.156 17533
1516 1 16 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.513 0.007 17533
1517 1 16 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.557 -1.077 17533
1518 1 16 . 1 1 5 5 TRP H H 5 7.371 7.371 8.378 -1.007 17533
1519 1 16 . 1 1 6 6 ASN N N 6 119.590 119.590 118.643 0.947 17533
1520 1 16 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.809 -0.138 17533
1521 1 16 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.609 -0.470 17533
1522 1 16 . 1 1 6 6 ASN CB C 6 38.510 38.510 37.875 0.635 17533
1523 1 16 . 1 1 6 6 ASN H H 6 7.959 7.959 8.578 -0.619 17533
1524 1 16 . 1 1 7 7 ARG N N 7 120.540 120.540 120.956 -0.416 17533
1525 1 16 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.627 -0.381 17533
1526 1 16 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.472 -0.552 17533
1527 1 16 . 1 1 7 7 ARG CB C 7 31.480 31.480 31.580 -0.100 17533
1528 1 16 . 1 1 7 7 ARG H H 7 7.806 7.806 8.450 -0.644 17533
1529 1 16 . 1 1 11 11 LYS N N 11 123.510 123.510 121.894 1.616 17533
1530 1 16 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.624 -0.348 17533
1531 1 16 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.516 -0.356 17533
1532 1 16 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.506 0.854 17533
1533 1 16 . 1 1 11 11 LYS H H 11 8.171 8.171 8.186 -0.015 17533
1534 1 16 . 1 1 21 21 ASP N N 21 119.900 119.900 124.333 -4.433 17533
1535 1 16 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.854 -0.357 17533
1536 1 16 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.513 -0.213 17533
1537 1 16 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.713 0.617 17533
1538 1 16 . 1 1 21 21 ASP H H 21 8.047 8.047 8.483 -0.436 17533
1539 1 16 . 1 1 22 22 LYS N N 22 120.130 120.130 118.839 1.291 17533
1540 1 16 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.874 0.229 17533
1541 1 16 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.330 -0.980 17533
1542 1 16 . 1 1 22 22 LYS CB C 22 32.720 32.720 30.875 1.845 17533
1543 1 16 . 1 1 22 22 LYS H H 22 7.992 7.992 8.510 -0.518 17533
1544 1 16 . 1 1 23 23 TRP N N 23 120.070 120.070 119.419 0.651 17533
1545 1 16 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.348 0.206 17533
1546 1 16 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.501 0.259 17533
1547 1 16 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.634 -0.005 17533
1548 1 16 . 1 1 23 23 TRP H H 23 7.995 7.995 7.724 0.271 17533
1549 1 16 . 1 1 24 24 CYS N N 24 118.950 118.950 114.841 4.109 17533
1550 1 16 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.186 1.274 17533
1551 1 16 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.762 -0.462 17533
1552 1 16 . 1 1 24 24 CYS CB C 24 40.740 40.740 24.803 15.937 17533
1553 1 16 . 1 1 24 24 CYS H H 24 8.268 8.268 7.074 1.194 17533
1554 1 16 . 1 1 25 25 ARG N N 25 121.070 121.070 121.589 -0.519 17533
1555 1 16 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.028 0.136 17533
1556 1 16 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.325 -1.015 17533
1557 1 16 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.643 -0.223 17533
1558 1 16 . 1 1 25 25 ARG H H 25 8.165 8.165 8.336 -0.171 17533
1559 1 16 . 1 1 26 26 LEU N N 26 119.870 119.870 113.220 6.650 17533
1560 1 16 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.577 -0.334 17533
1561 1 16 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.707 3.243 17533
1562 1 16 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.864 -0.344 17533
1563 1 16 . 1 1 26 26 LEU H H 26 7.833 7.833 7.043 0.790 17533
1564 1 16 . 1 1 27 27 ASN N N 27 117.025 117.025 117.482 -0.457 17533
1565 1 16 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.540 -0.059 17533
1566 1 16 . 1 1 27 27 ASN CA C 27 53.950 53.950 54.300 -0.349 17533
1567 1 16 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.904 -0.424 17533
1568 1 16 . 1 1 27 27 ASN H H 27 8.078 8.078 8.255 -0.177 17533
1569 1 16 . 1 1 28 28 LEU N N 28 120.260 120.260 121.934 -1.674 17533
1570 1 16 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.499 -0.137 17533
1571 1 16 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.036 1.094 17533
1572 1 16 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.940 -1.320 17533
1573 1 16 . 1 1 28 28 LEU H H 28 7.976 7.976 8.009 -0.033 17533
1574 1 16 . 1 1 29 29 GLY N N 29 108.780 108.780 107.915 0.865 17533
1575 1 16 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.646 0.297 17533
1576 1 16 . 1 1 29 29 GLY H H 29 8.050 8.050 8.487 -0.437 17533
1577 1 16 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.256 0.113 17533
1578 1 16 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.634 0.436 17533
1579 1 16 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.974 2.166 17533
1580 1 16 . 1 1 31 31 ALA N N 31 122.230 122.230 119.248 2.982 17533
1581 1 16 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.440 -0.266 17533
1582 1 16 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.403 0.397 17533
1583 1 16 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.957 -1.257 17533
1584 1 16 . 1 1 31 31 ALA H H 31 8.308 8.308 8.622 -0.314 17533
1585 1 16 . 1 1 32 32 TRP N N 32 119.100 119.100 121.030 -1.930 17533
1586 1 16 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.873 -0.311 17533
1587 1 16 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.612 -0.342 17533
1588 1 16 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.394 -2.684 17533
1589 1 16 . 1 1 32 32 TRP H H 32 7.720 7.720 7.716 0.004 17533
1590 1 16 . 1 1 33 33 GLY N N 33 110.630 110.630 109.305 1.325 17533
1591 1 16 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.049 0.760 17533
1592 1 16 . 1 1 33 33 GLY H H 33 8.105 8.105 9.025 -0.920 17533
1593 1 16 . 1 1 34 34 GLY N N 34 107.760 107.760 110.415 -2.655 17533
1594 1 16 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.984 0.153 17533
1595 1 16 . 1 1 34 34 GLY H H 34 7.382 7.382 8.343 -0.961 17533
1596 1 16 . 1 1 35 35 ARG N N 35 119.120 119.120 124.506 -5.386 17533
1597 1 16 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.203 0.267 17533
1598 1 16 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.331 -0.401 17533
1599 1 16 . 1 1 35 35 ARG CB C 35 31.500 31.500 28.915 2.585 17533
1600 1 16 . 1 1 35 35 ARG H H 35 7.964 7.964 8.523 -0.559 17533
1601 1 17 . 1 1 2 2 GLU N N 2 123.180 123.180 118.035 5.145 17533
1602 1 17 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.116 0.143 17533
1603 1 17 . 1 1 2 2 GLU CA C 2 55.790 55.790 57.631 -1.841 17533
1604 1 17 . 1 1 2 2 GLU CB C 2 30.930 30.930 29.149 1.781 17533
1605 1 17 . 1 1 2 2 GLU H H 2 8.088 8.088 8.261 -0.173 17533
1606 1 17 . 1 1 3 3 TRP N N 3 123.710 123.710 120.906 2.804 17533
1607 1 17 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.584 0.030 17533
1608 1 17 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.368 -0.458 17533
1609 1 17 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.626 -0.826 17533
1610 1 17 . 1 1 3 3 TRP H H 3 8.143 8.143 8.523 -0.380 17533
1611 1 17 . 1 1 4 4 PRO HA H 4 4.290 4.290 3.456 0.834 17533
1612 1 17 . 1 1 4 4 PRO CA C 4 64.170 64.170 62.595 1.575 17533
1613 1 17 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.425 1.355 17533
1614 1 17 . 1 1 5 5 TRP N N 5 117.357 117.357 115.407 1.950 17533
1615 1 17 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.183 0.441 17533
1616 1 17 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.161 1.359 17533
1617 1 17 . 1 1 5 5 TRP CB C 5 28.480 28.480 25.834 2.646 17533
1618 1 17 . 1 1 5 5 TRP H H 5 7.371 7.371 7.638 -0.267 17533
1619 1 17 . 1 1 6 6 ASN N N 6 119.590 119.590 118.723 0.867 17533
1620 1 17 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.324 0.347 17533
1621 1 17 . 1 1 6 6 ASN CA C 6 53.140 53.140 54.221 -1.081 17533
1622 1 17 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.023 0.487 17533
1623 1 17 . 1 1 6 6 ASN H H 6 7.959 7.959 7.888 0.071 17533
1624 1 17 . 1 1 7 7 ARG N N 7 120.540 120.540 120.277 0.263 17533
1625 1 17 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.048 0.198 17533
1626 1 17 . 1 1 7 7 ARG CA C 7 55.920 55.920 57.296 -1.376 17533
1627 1 17 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.302 2.178 17533
1628 1 17 . 1 1 7 7 ARG H H 7 7.806 7.806 8.701 -0.895 17533
1629 1 17 . 1 1 11 11 LYS N N 11 123.510 123.510 123.152 0.358 17533
1630 1 17 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.166 0.110 17533
1631 1 17 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.345 -0.185 17533
1632 1 17 . 1 1 11 11 LYS CB C 11 33.360 33.360 30.393 2.967 17533
1633 1 17 . 1 1 11 11 LYS H H 11 8.171 8.171 7.822 0.349 17533
1634 1 17 . 1 1 21 21 ASP N N 21 119.900 119.900 121.641 -1.741 17533
1635 1 17 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.772 -0.275 17533
1636 1 17 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.346 -0.046 17533
1637 1 17 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.995 -0.665 17533
1638 1 17 . 1 1 21 21 ASP H H 21 8.047 8.047 8.190 -0.143 17533
1639 1 17 . 1 1 22 22 LYS N N 22 120.130 120.130 122.626 -2.496 17533
1640 1 17 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.942 0.161 17533
1641 1 17 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.285 -0.935 17533
1642 1 17 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.614 1.106 17533
1643 1 17 . 1 1 22 22 LYS H H 22 7.992 7.992 8.781 -0.789 17533
1644 1 17 . 1 1 23 23 TRP N N 23 120.070 120.070 118.473 1.597 17533
1645 1 17 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.244 0.310 17533
1646 1 17 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.134 1.626 17533
1647 1 17 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.413 0.217 17533
1648 1 17 . 1 1 23 23 TRP H H 23 7.995 7.995 7.680 0.315 17533
1649 1 17 . 1 1 24 24 CYS N N 24 118.950 118.950 122.028 -3.078 17533
1650 1 17 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.696 0.764 17533
1651 1 17 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.463 -0.163 17533
1652 1 17 . 1 1 24 24 CYS CB C 24 40.740 40.740 24.588 16.152 17533
1653 1 17 . 1 1 24 24 CYS H H 24 8.268 8.268 7.254 1.014 17533
1654 1 17 . 1 1 25 25 ARG N N 25 121.070 121.070 123.385 -2.315 17533
1655 1 17 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.307 -0.143 17533
1656 1 17 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.423 -1.113 17533
1657 1 17 . 1 1 25 25 ARG CB C 25 30.420 30.420 31.244 -0.824 17533
1658 1 17 . 1 1 25 25 ARG H H 25 8.165 8.165 7.997 0.168 17533
1659 1 17 . 1 1 26 26 LEU N N 26 119.870 119.870 113.835 6.035 17533
1660 1 17 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.669 -0.426 17533
1661 1 17 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.161 3.789 17533
1662 1 17 . 1 1 26 26 LEU CB C 26 42.520 42.520 43.395 -0.875 17533
1663 1 17 . 1 1 26 26 LEU H H 26 7.833 7.833 7.091 0.742 17533
1664 1 17 . 1 1 27 27 ASN N N 27 117.025 117.025 119.650 -2.625 17533
1665 1 17 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.489 -0.008 17533
1666 1 17 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.467 0.483 17533
1667 1 17 . 1 1 27 27 ASN CB C 27 38.480 38.480 36.980 1.500 17533
1668 1 17 . 1 1 27 27 ASN H H 27 8.078 8.078 8.319 -0.241 17533
1669 1 17 . 1 1 28 28 LEU N N 28 120.260 120.260 125.286 -5.026 17533
1670 1 17 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.094 0.268 17533
1671 1 17 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.762 -0.632 17533
1672 1 17 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.811 -0.191 17533
1673 1 17 . 1 1 28 28 LEU H H 28 7.976 7.976 8.130 -0.154 17533
1674 1 17 . 1 1 29 29 GLY N N 29 108.780 108.780 105.605 3.175 17533
1675 1 17 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.721 -0.778 17533
1676 1 17 . 1 1 29 29 GLY H H 29 8.050 8.050 8.162 -0.112 17533
1677 1 17 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.222 0.147 17533
1678 1 17 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.087 -0.017 17533
1679 1 17 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.499 2.641 17533
1680 1 17 . 1 1 31 31 ALA N N 31 122.230 122.230 120.438 1.792 17533
1681 1 17 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.331 -0.157 17533
1682 1 17 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.227 0.573 17533
1683 1 17 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.734 -1.034 17533
1684 1 17 . 1 1 31 31 ALA H H 31 8.308 8.308 8.801 -0.493 17533
1685 1 17 . 1 1 32 32 TRP N N 32 119.100 119.100 119.953 -0.853 17533
1686 1 17 . 1 1 32 32 TRP HA H 32 4.562 4.562 5.115 -0.553 17533
1687 1 17 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.309 -0.039 17533
1688 1 17 . 1 1 32 32 TRP CB C 32 29.710 29.710 32.406 -2.696 17533
1689 1 17 . 1 1 32 32 TRP H H 32 7.720 7.720 8.001 -0.281 17533
1690 1 17 . 1 1 33 33 GLY N N 33 110.630 110.630 106.938 3.692 17533
1691 1 17 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.899 0.910 17533
1692 1 17 . 1 1 33 33 GLY H H 33 8.105 8.105 8.703 -0.598 17533
1693 1 17 . 1 1 34 34 GLY N N 34 107.760 107.760 112.184 -4.424 17533
1694 1 17 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.511 0.626 17533
1695 1 17 . 1 1 34 34 GLY H H 34 7.382 7.382 8.534 -1.152 17533
1696 1 17 . 1 1 35 35 ARG N N 35 119.120 119.120 121.992 -2.872 17533
1697 1 17 . 1 1 35 35 ARG HA H 35 4.470 4.470 3.996 0.474 17533
1698 1 17 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.347 -0.417 17533
1699 1 17 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.252 2.248 17533
1700 1 17 . 1 1 35 35 ARG H H 35 7.964 7.964 8.476 -0.512 17533
1701 1 18 . 1 1 2 2 GLU N N 2 123.180 123.180 120.325 2.855 17533
1702 1 18 . 1 1 2 2 GLU HA H 2 4.259 4.259 3.966 0.293 17533
1703 1 18 . 1 1 2 2 GLU CA C 2 55.790 55.790 57.147 -1.357 17533
1704 1 18 . 1 1 2 2 GLU CB C 2 30.930 30.930 28.491 2.439 17533
1705 1 18 . 1 1 2 2 GLU H H 2 8.088 8.088 8.273 -0.185 17533
1706 1 18 . 1 1 3 3 TRP N N 3 123.710 123.710 120.421 3.289 17533
1707 1 18 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.616 -0.002 17533
1708 1 18 . 1 1 3 3 TRP CA C 3 54.910 54.910 54.100 0.810 17533
1709 1 18 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.757 -0.957 17533
1710 1 18 . 1 1 3 3 TRP H H 3 8.143 8.143 7.799 0.344 17533
1711 1 18 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.061 0.229 17533
1712 1 18 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.340 0.830 17533
1713 1 18 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.035 1.746 17533
1714 1 18 . 1 1 5 5 TRP N N 5 117.357 117.357 121.838 -4.481 17533
1715 1 18 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.687 -0.063 17533
1716 1 18 . 1 1 5 5 TRP CA C 5 57.520 57.520 55.632 1.888 17533
1717 1 18 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.086 0.394 17533
1718 1 18 . 1 1 5 5 TRP H H 5 7.371 7.371 7.536 -0.165 17533
1719 1 18 . 1 1 6 6 ASN N N 6 119.590 119.590 119.246 0.344 17533
1720 1 18 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.560 0.111 17533
1721 1 18 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.409 -0.269 17533
1722 1 18 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.287 0.223 17533
1723 1 18 . 1 1 6 6 ASN H H 6 7.959 7.959 8.533 -0.574 17533
1724 1 18 . 1 1 7 7 ARG N N 7 120.540 120.540 121.107 -0.567 17533
1725 1 18 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.306 -0.060 17533
1726 1 18 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.343 -0.423 17533
1727 1 18 . 1 1 7 7 ARG CB C 7 31.480 31.480 29.339 2.141 17533
1728 1 18 . 1 1 7 7 ARG H H 7 7.806 7.806 8.595 -0.789 17533
1729 1 18 . 1 1 11 11 LYS N N 11 123.510 123.510 122.331 1.179 17533
1730 1 18 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.079 0.197 17533
1731 1 18 . 1 1 11 11 LYS CA C 11 56.160 56.160 54.931 1.229 17533
1732 1 18 . 1 1 11 11 LYS CB C 11 33.360 33.360 30.977 2.383 17533
1733 1 18 . 1 1 11 11 LYS H H 11 8.171 8.171 8.288 -0.117 17533
1734 1 18 . 1 1 21 21 ASP N N 21 119.900 119.900 123.173 -3.273 17533
1735 1 18 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.858 -0.361 17533
1736 1 18 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.178 0.122 17533
1737 1 18 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.176 0.154 17533
1738 1 18 . 1 1 21 21 ASP H H 21 8.047 8.047 8.222 -0.175 17533
1739 1 18 . 1 1 22 22 LYS N N 22 120.130 120.130 119.095 1.035 17533
1740 1 18 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.030 0.073 17533
1741 1 18 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.042 -0.692 17533
1742 1 18 . 1 1 22 22 LYS CB C 22 32.720 32.720 29.873 2.847 17533
1743 1 18 . 1 1 22 22 LYS H H 22 7.992 7.992 8.639 -0.647 17533
1744 1 18 . 1 1 23 23 TRP N N 23 120.070 120.070 119.341 0.729 17533
1745 1 18 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.441 0.113 17533
1746 1 18 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.796 -0.036 17533
1747 1 18 . 1 1 23 23 TRP CB C 23 29.630 29.630 30.708 -1.078 17533
1748 1 18 . 1 1 23 23 TRP H H 23 7.995 7.995 7.532 0.463 17533
1749 1 18 . 1 1 24 24 CYS N N 24 118.950 118.950 117.853 1.097 17533
1750 1 18 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.285 1.175 17533
1751 1 18 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.823 -0.523 17533
1752 1 18 . 1 1 24 24 CYS CB C 24 40.740 40.740 28.267 12.473 17533
1753 1 18 . 1 1 24 24 CYS H H 24 8.268 8.268 7.530 0.738 17533
1754 1 18 . 1 1 25 25 ARG N N 25 121.070 121.070 122.638 -1.568 17533
1755 1 18 . 1 1 25 25 ARG HA H 25 4.164 4.164 3.667 0.497 17533
1756 1 18 . 1 1 25 25 ARG CA C 25 56.310 56.310 58.147 -1.837 17533
1757 1 18 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.273 0.147 17533
1758 1 18 . 1 1 25 25 ARG H H 25 8.165 8.165 8.086 0.079 17533
1759 1 18 . 1 1 26 26 LEU N N 26 119.870 119.870 117.111 2.759 17533
1760 1 18 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.315 -0.072 17533
1761 1 18 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.802 3.148 17533
1762 1 18 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.689 -0.169 17533
1763 1 18 . 1 1 26 26 LEU H H 26 7.833 7.833 7.159 0.674 17533
1764 1 18 . 1 1 27 27 ASN N N 27 117.025 117.025 118.586 -1.561 17533
1765 1 18 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.631 -0.150 17533
1766 1 18 . 1 1 27 27 ASN CA C 27 53.950 53.950 52.768 1.182 17533
1767 1 18 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.690 -0.209 17533
1768 1 18 . 1 1 27 27 ASN H H 27 8.078 8.078 8.241 -0.163 17533
1769 1 18 . 1 1 28 28 LEU N N 28 120.260 120.260 126.932 -6.672 17533
1770 1 18 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.300 0.062 17533
1771 1 18 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.688 0.442 17533
1772 1 18 . 1 1 28 28 LEU CB C 28 42.620 42.620 42.950 -0.330 17533
1773 1 18 . 1 1 28 28 LEU H H 28 7.976 7.976 8.290 -0.314 17533
1774 1 18 . 1 1 29 29 GLY N N 29 108.780 108.780 107.345 1.435 17533
1775 1 18 . 1 1 29 29 GLY CA C 29 44.943 44.943 44.702 0.241 17533
1776 1 18 . 1 1 29 29 GLY H H 29 8.050 8.050 8.349 -0.299 17533
1777 1 18 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.168 0.201 17533
1778 1 18 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.226 -0.156 17533
1779 1 18 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.616 2.524 17533
1780 1 18 . 1 1 31 31 ALA N N 31 122.230 122.230 120.107 2.123 17533
1781 1 18 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.307 -0.133 17533
1782 1 18 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.083 0.717 17533
1783 1 18 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.444 -0.744 17533
1784 1 18 . 1 1 31 31 ALA H H 31 8.308 8.308 8.845 -0.537 17533
1785 1 18 . 1 1 32 32 TRP N N 32 119.100 119.100 120.042 -0.942 17533
1786 1 18 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.838 -0.276 17533
1787 1 18 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.034 0.236 17533
1788 1 18 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.240 -1.530 17533
1789 1 18 . 1 1 32 32 TRP H H 32 7.720 7.720 8.311 -0.591 17533
1790 1 18 . 1 1 33 33 GLY N N 33 110.630 110.630 106.872 3.758 17533
1791 1 18 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.652 1.157 17533
1792 1 18 . 1 1 33 33 GLY H H 33 8.105 8.105 8.365 -0.260 17533
1793 1 18 . 1 1 34 34 GLY N N 34 107.760 107.760 109.834 -2.074 17533
1794 1 18 . 1 1 34 34 GLY CA C 34 45.137 45.137 46.937 -1.800 17533
1795 1 18 . 1 1 34 34 GLY H H 34 7.382 7.382 8.294 -0.912 17533
1796 1 18 . 1 1 35 35 ARG N N 35 119.120 119.120 121.871 -2.751 17533
1797 1 18 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.442 0.028 17533
1798 1 18 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.596 0.334 17533
1799 1 18 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.635 1.865 17533
1800 1 18 . 1 1 35 35 ARG H H 35 7.964 7.964 7.697 0.267 17533
1801 1 19 . 1 1 2 2 GLU N N 2 123.180 123.180 116.621 6.559 17533
1802 1 19 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.100 0.159 17533
1803 1 19 . 1 1 2 2 GLU CA C 2 55.790 55.790 57.541 -1.752 17533
1804 1 19 . 1 1 2 2 GLU CB C 2 30.930 30.930 28.053 2.877 17533
1805 1 19 . 1 1 2 2 GLU H H 2 8.088 8.088 8.434 -0.346 17533
1806 1 19 . 1 1 3 3 TRP N N 3 123.710 123.710 116.870 6.840 17533
1807 1 19 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.447 0.167 17533
1808 1 19 . 1 1 3 3 TRP CA C 3 54.910 54.910 56.731 -1.821 17533
1809 1 19 . 1 1 3 3 TRP CB C 3 28.800 28.800 28.419 0.381 17533
1810 1 19 . 1 1 3 3 TRP H H 3 8.143 8.143 7.796 0.347 17533
1811 1 19 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.392 -0.102 17533
1812 1 19 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.469 0.701 17533
1813 1 19 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.167 0.613 17533
1814 1 19 . 1 1 5 5 TRP N N 5 117.357 117.357 125.965 -8.608 17533
1815 1 19 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.724 -0.100 17533
1816 1 19 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.059 0.461 17533
1817 1 19 . 1 1 5 5 TRP CB C 5 28.480 28.480 29.535 -1.055 17533
1818 1 19 . 1 1 5 5 TRP H H 5 7.371 7.371 7.916 -0.545 17533
1819 1 19 . 1 1 6 6 ASN N N 6 119.590 119.590 120.734 -1.144 17533
1820 1 19 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.858 -0.187 17533
1821 1 19 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.612 -0.472 17533
1822 1 19 . 1 1 6 6 ASN CB C 6 38.510 38.510 37.563 0.946 17533
1823 1 19 . 1 1 6 6 ASN H H 6 7.959 7.959 8.747 -0.788 17533
1824 1 19 . 1 1 7 7 ARG N N 7 120.540 120.540 120.267 0.273 17533
1825 1 19 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.322 -0.076 17533
1826 1 19 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.880 0.040 17533
1827 1 19 . 1 1 7 7 ARG CB C 7 31.480 31.480 31.102 0.378 17533
1828 1 19 . 1 1 7 7 ARG H H 7 7.806 7.806 7.793 0.013 17533
1829 1 19 . 1 1 11 11 LYS N N 11 123.510 123.510 120.426 3.084 17533
1830 1 19 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.472 -0.196 17533
1831 1 19 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.223 0.937 17533
1832 1 19 . 1 1 11 11 LYS CB C 11 33.360 33.360 34.124 -0.764 17533
1833 1 19 . 1 1 11 11 LYS H H 11 8.171 8.171 8.202 -0.031 17533
1834 1 19 . 1 1 21 21 ASP N N 21 119.900 119.900 122.187 -2.287 17533
1835 1 19 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.594 -0.097 17533
1836 1 19 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.400 -0.100 17533
1837 1 19 . 1 1 21 21 ASP CB C 21 41.330 41.330 42.280 -0.950 17533
1838 1 19 . 1 1 21 21 ASP H H 21 8.047 8.047 8.057 -0.010 17533
1839 1 19 . 1 1 22 22 LYS N N 22 120.130 120.130 121.822 -1.692 17533
1840 1 19 . 1 1 22 22 LYS HA H 22 4.103 4.103 4.168 -0.065 17533
1841 1 19 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.275 -0.925 17533
1842 1 19 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.215 1.505 17533
1843 1 19 . 1 1 22 22 LYS H H 22 7.992 7.992 8.429 -0.437 17533
1844 1 19 . 1 1 23 23 TRP N N 23 120.070 120.070 122.176 -2.106 17533
1845 1 19 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.492 0.062 17533
1846 1 19 . 1 1 23 23 TRP CA C 23 57.760 57.760 57.056 0.704 17533
1847 1 19 . 1 1 23 23 TRP CB C 23 29.630 29.630 30.370 -0.740 17533
1848 1 19 . 1 1 23 23 TRP H H 23 7.995 7.995 8.940 -0.945 17533
1849 1 19 . 1 1 24 24 CYS N N 24 118.950 118.950 116.091 2.859 17533
1850 1 19 . 1 1 24 24 CYS HA H 24 4.460 4.460 1.369 3.091 17533
1851 1 19 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.542 -0.242 17533
1852 1 19 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.834 13.906 17533
1853 1 19 . 1 1 24 24 CYS H H 24 8.268 8.268 7.038 1.230 17533
1854 1 19 . 1 1 25 25 ARG N N 25 121.070 121.070 123.539 -2.469 17533
1855 1 19 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.182 -0.018 17533
1856 1 19 . 1 1 25 25 ARG CA C 25 56.310 56.310 58.067 -1.757 17533
1857 1 19 . 1 1 25 25 ARG CB C 25 30.420 30.420 29.679 0.741 17533
1858 1 19 . 1 1 25 25 ARG H H 25 8.165 8.165 8.533 -0.368 17533
1859 1 19 . 1 1 26 26 LEU N N 26 119.870 119.870 119.454 0.416 17533
1860 1 19 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.213 0.030 17533
1861 1 19 . 1 1 26 26 LEU CA C 26 55.950 55.950 54.839 1.111 17533
1862 1 19 . 1 1 26 26 LEU CB C 26 42.520 42.520 41.913 0.607 17533
1863 1 19 . 1 1 26 26 LEU H H 26 7.833 7.833 7.291 0.542 17533
1864 1 19 . 1 1 27 27 ASN N N 27 117.025 117.025 119.793 -2.768 17533
1865 1 19 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.585 -0.104 17533
1866 1 19 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.934 0.017 17533
1867 1 19 . 1 1 27 27 ASN CB C 27 38.480 38.480 36.859 1.621 17533
1868 1 19 . 1 1 27 27 ASN H H 27 8.078 8.078 8.586 -0.508 17533
1869 1 19 . 1 1 28 28 LEU N N 28 120.260 120.260 121.158 -0.898 17533
1870 1 19 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.896 -0.534 17533
1871 1 19 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.717 0.413 17533
1872 1 19 . 1 1 28 28 LEU CB C 28 42.620 42.620 44.400 -1.780 17533
1873 1 19 . 1 1 28 28 LEU H H 28 7.976 7.976 8.465 -0.489 17533
1874 1 19 . 1 1 29 29 GLY N N 29 108.780 108.780 105.830 2.950 17533
1875 1 19 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.440 -0.497 17533
1876 1 19 . 1 1 29 29 GLY H H 29 8.050 8.050 8.422 -0.372 17533
1877 1 19 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.203 0.166 17533
1878 1 19 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.266 -0.196 17533
1879 1 19 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.595 2.545 17533
1880 1 19 . 1 1 31 31 ALA N N 31 122.230 122.230 120.838 1.392 17533
1881 1 19 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.361 -0.187 17533
1882 1 19 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.215 0.585 17533
1883 1 19 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.755 -1.054 17533
1884 1 19 . 1 1 31 31 ALA H H 31 8.308 8.308 8.804 -0.496 17533
1885 1 19 . 1 1 32 32 TRP N N 32 119.100 119.100 120.268 -1.168 17533
1886 1 19 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.835 -0.273 17533
1887 1 19 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.048 0.222 17533
1888 1 19 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.866 -2.156 17533
1889 1 19 . 1 1 32 32 TRP H H 32 7.720 7.720 8.213 -0.493 17533
1890 1 19 . 1 1 33 33 GLY N N 33 110.630 110.630 108.224 2.406 17533
1891 1 19 . 1 1 33 33 GLY CA C 33 45.809 45.809 44.859 0.950 17533
1892 1 19 . 1 1 33 33 GLY H H 33 8.105 8.105 8.662 -0.557 17533
1893 1 19 . 1 1 34 34 GLY N N 34 107.760 107.760 112.511 -4.751 17533
1894 1 19 . 1 1 34 34 GLY CA C 34 45.137 45.137 44.901 0.235 17533
1895 1 19 . 1 1 34 34 GLY H H 34 7.382 7.382 8.547 -1.165 17533
1896 1 19 . 1 1 35 35 ARG N N 35 119.120 119.120 119.386 -0.266 17533
1897 1 19 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.792 -0.322 17533
1898 1 19 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.205 0.725 17533
1899 1 19 . 1 1 35 35 ARG CB C 35 31.500 31.500 33.460 -1.960 17533
1900 1 19 . 1 1 35 35 ARG H H 35 7.964 7.964 7.991 -0.027 17533
1901 1 20 . 1 1 2 2 GLU N N 2 123.180 123.180 121.533 1.647 17533
1902 1 20 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.827 -0.568 17533
1903 1 20 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.207 -0.417 17533
1904 1 20 . 1 1 2 2 GLU CB C 2 30.930 30.930 30.738 0.192 17533
1905 1 20 . 1 1 2 2 GLU H H 2 8.088 8.088 8.790 -0.702 17533
1906 1 20 . 1 1 3 3 TRP N N 3 123.710 123.710 121.376 2.334 17533
1907 1 20 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.800 -0.186 17533
1908 1 20 . 1 1 3 3 TRP CA C 3 54.910 54.910 53.467 1.443 17533
1909 1 20 . 1 1 3 3 TRP CB C 3 28.800 28.800 28.442 0.358 17533
1910 1 20 . 1 1 3 3 TRP H H 3 8.143 8.143 8.326 -0.183 17533
1911 1 20 . 1 1 4 4 PRO HA H 4 4.290 4.290 3.973 0.317 17533
1912 1 20 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.444 0.726 17533
1913 1 20 . 1 1 4 4 PRO CB C 4 31.780 31.780 29.855 1.925 17533
1914 1 20 . 1 1 5 5 TRP N N 5 117.357 117.357 121.824 -4.467 17533
1915 1 20 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.688 -0.064 17533
1916 1 20 . 1 1 5 5 TRP CA C 5 57.520 57.520 57.347 0.173 17533
1917 1 20 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.628 -0.148 17533
1918 1 20 . 1 1 5 5 TRP H H 5 7.371 7.371 7.845 -0.474 17533
1919 1 20 . 1 1 6 6 ASN N N 6 119.590 119.590 119.686 -0.096 17533
1920 1 20 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.647 0.024 17533
1921 1 20 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.878 -0.738 17533
1922 1 20 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.718 -0.208 17533
1923 1 20 . 1 1 6 6 ASN H H 6 7.959 7.959 8.151 -0.192 17533
1924 1 20 . 1 1 7 7 ARG N N 7 120.540 120.540 121.307 -0.767 17533
1925 1 20 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.588 -0.342 17533
1926 1 20 . 1 1 7 7 ARG CA C 7 55.920 55.920 55.860 0.060 17533
1927 1 20 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.845 0.635 17533
1928 1 20 . 1 1 7 7 ARG H H 7 7.806 7.806 8.044 -0.238 17533
1929 1 20 . 1 1 11 11 LYS N N 11 123.510 123.510 123.012 0.498 17533
1930 1 20 . 1 1 11 11 LYS HA H 11 4.276 4.276 3.908 0.368 17533
1931 1 20 . 1 1 11 11 LYS CA C 11 56.160 56.160 56.142 0.018 17533
1932 1 20 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.029 1.331 17533
1933 1 20 . 1 1 11 11 LYS H H 11 8.171 8.171 8.223 -0.052 17533
1934 1 20 . 1 1 21 21 ASP N N 21 119.900 119.900 124.479 -4.579 17533
1935 1 20 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.772 -0.275 17533
1936 1 20 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.266 0.034 17533
1937 1 20 . 1 1 21 21 ASP CB C 21 41.330 41.330 40.483 0.847 17533
1938 1 20 . 1 1 21 21 ASP H H 21 8.047 8.047 8.352 -0.305 17533
1939 1 20 . 1 1 22 22 LYS N N 22 120.130 120.130 120.338 -0.208 17533
1940 1 20 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.939 0.164 17533
1941 1 20 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.086 -0.736 17533
1942 1 20 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.179 1.541 17533
1943 1 20 . 1 1 22 22 LYS H H 22 7.992 7.992 8.473 -0.481 17533
1944 1 20 . 1 1 23 23 TRP N N 23 120.070 120.070 118.249 1.821 17533
1945 1 20 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.384 0.170 17533
1946 1 20 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.455 1.305 17533
1947 1 20 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.392 0.238 17533
1948 1 20 . 1 1 23 23 TRP H H 23 7.995 7.995 7.695 0.300 17533
1949 1 20 . 1 1 24 24 CYS N N 24 118.950 118.950 114.915 4.035 17533
1950 1 20 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.197 1.263 17533
1951 1 20 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.953 -0.653 17533
1952 1 20 . 1 1 24 24 CYS CB C 24 40.740 40.740 24.721 16.019 17533
1953 1 20 . 1 1 24 24 CYS H H 24 8.268 8.268 7.216 1.052 17533
1954 1 20 . 1 1 25 25 ARG N N 25 121.070 121.070 120.456 0.614 17533
1955 1 20 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.326 -0.162 17533
1956 1 20 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.070 -0.760 17533
1957 1 20 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.742 -0.323 17533
1958 1 20 . 1 1 25 25 ARG H H 25 8.165 8.165 8.226 -0.061 17533
1959 1 20 . 1 1 26 26 LEU N N 26 119.870 119.870 120.251 -0.381 17533
1960 1 20 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.647 -0.404 17533
1961 1 20 . 1 1 26 26 LEU CA C 26 55.950 55.950 53.881 2.069 17533
1962 1 20 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.975 -0.455 17533
1963 1 20 . 1 1 26 26 LEU H H 26 7.833 7.833 7.405 0.428 17533
1964 1 20 . 1 1 27 27 ASN N N 27 117.025 117.025 119.247 -2.222 17533
1965 1 20 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.925 -0.444 17533
1966 1 20 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.309 0.641 17533
1967 1 20 . 1 1 27 27 ASN CB C 27 38.480 38.480 36.768 1.712 17533
1968 1 20 . 1 1 27 27 ASN H H 27 8.078 8.078 8.436 -0.358 17533
1969 1 20 . 1 1 28 28 LEU N N 28 120.260 120.260 120.773 -0.513 17533
1970 1 20 . 1 1 28 28 LEU HA H 28 4.362 4.362 3.759 0.603 17533
1971 1 20 . 1 1 28 28 LEU CA C 28 55.130 55.130 55.717 -0.587 17533
1972 1 20 . 1 1 28 28 LEU CB C 28 42.620 42.620 41.422 1.198 17533
1973 1 20 . 1 1 28 28 LEU H H 28 7.976 7.976 7.900 0.076 17533
1974 1 20 . 1 1 29 29 GLY N N 29 108.780 108.780 104.290 4.490 17533
1975 1 20 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.000 -0.057 17533
1976 1 20 . 1 1 29 29 GLY H H 29 8.050 8.050 7.462 0.588 17533
1977 1 20 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.334 0.035 17533
1978 1 20 . 1 1 30 30 PRO CA C 30 64.070 64.070 63.941 0.129 17533
1979 1 20 . 1 1 30 30 PRO CB C 30 32.140 32.140 31.420 0.720 17533
1980 1 20 . 1 1 31 31 ALA N N 31 122.230 122.230 121.929 0.301 17533
1981 1 20 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.717 -0.543 17533
1982 1 20 . 1 1 31 31 ALA CA C 31 52.800 52.800 51.449 1.351 17533
1983 1 20 . 1 1 31 31 ALA CB C 31 18.700 18.700 18.770 -0.070 17533
1984 1 20 . 1 1 31 31 ALA H H 31 8.308 8.308 7.788 0.520 17533
1985 1 20 . 1 1 32 32 TRP N N 32 119.100 119.100 121.791 -2.691 17533
1986 1 20 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.958 -0.396 17533
1987 1 20 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.144 0.126 17533
1988 1 20 . 1 1 32 32 TRP CB C 32 29.710 29.710 30.604 -0.894 17533
1989 1 20 . 1 1 32 32 TRP H H 32 7.720 7.720 8.040 -0.320 17533
1990 1 20 . 1 1 33 33 GLY N N 33 110.630 110.630 108.118 2.512 17533
1991 1 20 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.504 0.305 17533
1992 1 20 . 1 1 33 33 GLY H H 33 8.105 8.105 8.645 -0.540 17533
1993 1 20 . 1 1 34 34 GLY N N 34 107.760 107.760 109.385 -1.625 17533
1994 1 20 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.020 0.117 17533
1995 1 20 . 1 1 34 34 GLY H H 34 7.382 7.382 8.540 -1.158 17533
1996 1 20 . 1 1 35 35 ARG N N 35 119.120 119.120 122.819 -3.699 17533
1997 1 20 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.641 -0.171 17533
1998 1 20 . 1 1 35 35 ARG CA C 35 55.930 55.930 55.371 0.559 17533
1999 1 20 . 1 1 35 35 ARG CB C 35 31.500 31.500 27.811 3.689 17533
2000 1 20 . 1 1 35 35 ARG H H 35 7.964 7.964 8.381 -0.417 17533
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 20 3.205 0.463 3.253 17533
2 1 1 "Average Difference" HA 25 0.388 -0.035 0.395 17533
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17533
4 1 1 "Average Difference" CA 22 1.244 -0.199 1.257 17533
5 1 1 "Average Difference" CB 19 3.569 -0.897 3.549 17533
6 1 1 "Average Difference" HN 20 0.594 0.267 0.545 17533
7 1 2 "Average Difference" N 20 3.031 0.396 3.083 17533
8 1 2 "Average Difference" HA 25 0.365 0.031 0.371 17533
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17533
10 1 2 "Average Difference" CA 22 0.947 -0.103 0.964 17533
11 1 2 "Average Difference" CB 19 3.728 -0.891 3.719 17533
12 1 2 "Average Difference" HN 20 0.526 0.259 0.470 17533
13 1 3 "Average Difference" N 20 2.985 0.320 3.045 17533
14 1 3 "Average Difference" HA 25 0.371 -0.036 0.376 17533
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17533
16 1 3 "Average Difference" CA 22 0.982 -0.059 1.003 17533
17 1 3 "Average Difference" CB 19 3.841 -1.026 3.803 17533
18 1 3 "Average Difference" HN 20 0.580 0.215 0.553 17533
19 1 4 "Average Difference" N 20 2.699 -0.292 2.753 17533
20 1 4 "Average Difference" HA 25 0.357 0.011 0.364 17533
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17533
22 1 4 "Average Difference" CA 22 0.903 -0.107 0.917 17533
23 1 4 "Average Difference" CB 19 3.745 -0.787 3.761 17533
24 1 4 "Average Difference" HN 20 0.567 0.099 0.572 17533
25 1 5 "Average Difference" N 20 3.278 1.098 3.169 17533
26 1 5 "Average Difference" HA 25 0.325 -0.020 0.332 17533
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17533
28 1 5 "Average Difference" CA 22 1.077 -0.453 1.000 17533
29 1 5 "Average Difference" CB 19 3.676 -1.313 3.527 17533
30 1 5 "Average Difference" HN 20 0.530 0.218 0.496 17533
31 1 6 "Average Difference" N 20 2.600 -0.189 2.661 17533
32 1 6 "Average Difference" HA 25 0.419 0.080 0.420 17533
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17533
34 1 6 "Average Difference" CA 22 0.972 -0.111 0.989 17533
35 1 6 "Average Difference" CB 19 3.480 -0.885 3.458 17533
36 1 6 "Average Difference" HN 20 0.528 0.214 0.496 17533
37 1 7 "Average Difference" N 20 2.545 0.004 2.611 17533
38 1 7 "Average Difference" HA 25 0.440 -0.087 0.440 17533
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17533
40 1 7 "Average Difference" CA 22 1.072 -0.090 1.093 17533
41 1 7 "Average Difference" CB 19 3.296 -0.920 3.252 17533
42 1 7 "Average Difference" HN 20 0.690 -0.104 0.700 17533
43 1 8 "Average Difference" N 20 2.649 0.663 2.631 17533
44 1 8 "Average Difference" HA 25 0.411 -0.020 0.419 17533
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17533
46 1 8 "Average Difference" CA 22 1.011 -0.296 0.990 17533
47 1 8 "Average Difference" CB 19 3.519 -1.169 3.410 17533
48 1 8 "Average Difference" HN 20 0.570 0.154 0.563 17533
49 1 9 "Average Difference" N 20 2.515 0.215 2.570 17533
50 1 9 "Average Difference" HA 25 0.359 -0.008 0.366 17533
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17533
52 1 9 "Average Difference" CA 22 1.061 -0.340 1.029 17533
53 1 9 "Average Difference" CB 19 3.574 -1.083 3.500 17533
54 1 9 "Average Difference" HN 20 0.610 0.126 0.612 17533
55 1 10 "Average Difference" N 20 3.299 0.388 3.361 17533
56 1 10 "Average Difference" HA 25 0.394 0.098 0.389 17533
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17533
58 1 10 "Average Difference" CA 22 1.085 -0.271 1.075 17533
59 1 10 "Average Difference" CB 19 3.657 -0.987 3.617 17533
60 1 10 "Average Difference" HN 20 0.532 0.185 0.512 17533
61 1 11 "Average Difference" N 20 2.625 0.063 2.692 17533
62 1 11 "Average Difference" HA 25 0.341 0.033 0.346 17533
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17533
64 1 11 "Average Difference" CA 22 0.972 -0.167 0.980 17533
65 1 11 "Average Difference" CB 19 3.034 -0.914 2.973 17533
66 1 11 "Average Difference" HN 20 0.514 0.247 0.463 17533
67 1 12 "Average Difference" N 20 3.196 0.375 3.257 17533
68 1 12 "Average Difference" HA 25 0.290 0.010 0.295 17533
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17533
70 1 12 "Average Difference" CA 22 1.091 -0.062 1.115 17533
71 1 12 "Average Difference" CB 19 3.870 -1.200 3.780 17533
72 1 12 "Average Difference" HN 20 0.497 0.132 0.492 17533
73 1 13 "Average Difference" N 20 3.571 0.353 3.646 17533
74 1 13 "Average Difference" HA 25 0.291 0.089 0.283 17533
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17533
76 1 13 "Average Difference" CA 22 1.010 -0.268 0.997 17533
77 1 13 "Average Difference" CB 19 3.724 -1.168 3.633 17533
78 1 13 "Average Difference" HN 20 0.482 0.180 0.459 17533
79 1 14 "Average Difference" N 20 2.259 0.009 2.318 17533
80 1 14 "Average Difference" HA 25 0.419 -0.022 0.427 17533
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17533
82 1 14 "Average Difference" CA 22 0.935 -0.072 0.954 17533
83 1 14 "Average Difference" CB 19 3.355 -0.911 3.318 17533
84 1 14 "Average Difference" HN 20 0.526 0.189 0.504 17533
85 1 15 "Average Difference" N 20 2.975 0.195 3.045 17533
86 1 15 "Average Difference" HA 25 0.304 -0.007 0.310 17533
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17533
88 1 15 "Average Difference" CA 22 0.863 -0.202 0.859 17533
89 1 15 "Average Difference" CB 19 3.771 -0.985 3.739 17533
90 1 15 "Average Difference" HN 20 0.544 0.126 0.543 17533
91 1 16 "Average Difference" N 20 3.588 0.005 3.681 17533
92 1 16 "Average Difference" HA 25 0.332 0.022 0.338 17533
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17533
94 1 16 "Average Difference" CA 22 0.892 -0.070 0.910 17533
95 1 16 "Average Difference" CB 19 3.866 -0.949 3.851 17533
96 1 16 "Average Difference" HN 20 0.585 0.223 0.554 17533
97 1 17 "Average Difference" N 20 3.080 -0.112 3.158 17533
98 1 17 "Average Difference" HA 25 0.341 -0.104 0.331 17533
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17533
100 1 17 "Average Difference" CA 22 1.227 -0.085 1.253 17533
101 1 17 "Average Difference" CB 19 4.060 -1.483 3.883 17533
102 1 17 "Average Difference" HN 20 0.543 0.177 0.526 17533
103 1 18 "Average Difference" N 20 2.691 0.164 2.756 17533
104 1 18 "Average Difference" HA 25 0.322 -0.125 0.303 17533
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17533
106 1 18 "Average Difference" CA 22 1.158 -0.238 1.160 17533
107 1 18 "Average Difference" CB 19 3.230 -1.280 3.047 17533
108 1 18 "Average Difference" HN 20 0.482 0.158 0.467 17533
109 1 19 "Average Difference" N 20 3.540 0.069 3.632 17533
110 1 19 "Average Difference" HA 25 0.645 -0.080 0.653 17533
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17533
112 1 19 "Average Difference" CA 22 0.860 0.030 0.879 17533
113 1 19 "Average Difference" CB 19 3.490 -0.824 3.484 17533
114 1 19 "Average Difference" HN 20 0.591 0.272 0.538 17533
115 1 20 "Average Difference" N 20 2.504 0.150 2.565 17533
116 1 20 "Average Difference" HA 25 0.411 0.094 0.408 17533
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17533
118 1 20 "Average Difference" CA 22 0.796 -0.232 0.779 17533
119 1 20 "Average Difference" CB 19 3.876 -1.490 3.676 17533
120 1 20 "Average Difference" HN 20 0.511 0.126 0.508 17533
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 17533
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLU N N 2 123.180 123.180 120.244 2.936 17533
2 1 . 1 1 2 2 GLU HA H 2 4.259 4.259 4.240 0.019 17533
3 1 . 1 1 2 2 GLU CA C 2 55.790 55.790 56.297 -0.507 17533
4 1 . 1 1 2 2 GLU CB C 2 30.930 30.930 29.564 1.366 17533
5 1 . 1 1 2 2 GLU H H 2 8.088 8.088 8.069 0.019 17533
6 1 . 1 1 3 3 TRP N N 3 123.710 123.710 122.164 1.546 17533
7 1 . 1 1 3 3 TRP HA H 3 4.614 4.614 4.770 -0.156 17533
8 1 . 1 1 3 3 TRP CA C 3 54.910 54.910 55.178 -0.268 17533
9 1 . 1 1 3 3 TRP CB C 3 28.800 28.800 29.754 -0.954 17533
10 1 . 1 1 3 3 TRP H H 3 8.143 8.143 8.184 -0.041 17533
11 1 . 1 1 4 4 PRO HA H 4 4.290 4.290 4.237 0.053 17533
12 1 . 1 1 4 4 PRO CA C 4 64.170 64.170 63.420 0.750 17533
13 1 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.888 0.892 17533
14 1 . 1 1 5 5 TRP N N 5 117.357 117.357 122.116 -4.759 17533
15 1 . 1 1 5 5 TRP HA H 5 4.624 4.624 4.604 0.020 17533
16 1 . 1 1 5 5 TRP CA C 5 57.520 57.520 56.438 1.082 17533
17 1 . 1 1 5 5 TRP CB C 5 28.480 28.480 28.324 0.156 17533
18 1 . 1 1 5 5 TRP H H 5 7.371 7.371 7.842 -0.471 17533
19 1 . 1 1 6 6 ASN N N 6 119.590 119.590 118.760 0.830 17533
20 1 . 1 1 6 6 ASN HA H 6 4.671 4.671 4.540 0.131 17533
21 1 . 1 1 6 6 ASN CA C 6 53.140 53.140 53.284 -0.145 17533
22 1 . 1 1 6 6 ASN CB C 6 38.510 38.510 38.575 -0.065 17533
23 1 . 1 1 6 6 ASN H H 6 7.959 7.959 8.091 -0.132 17533
24 1 . 1 1 7 7 ARG N N 7 120.540 120.540 121.425 -0.885 17533
25 1 . 1 1 7 7 ARG HA H 7 4.246 4.246 4.299 -0.053 17533
26 1 . 1 1 7 7 ARG CA C 7 55.920 55.920 56.362 -0.442 17533
27 1 . 1 1 7 7 ARG CB C 7 31.480 31.480 30.051 1.429 17533
28 1 . 1 1 7 7 ARG H H 7 7.806 7.806 8.494 -0.688 17533
29 1 . 1 1 11 11 LYS N N 11 123.510 123.510 122.350 1.160 17533
30 1 . 1 1 11 11 LYS HA H 11 4.276 4.276 4.149 0.127 17533
31 1 . 1 1 11 11 LYS CA C 11 56.160 56.160 55.950 0.210 17533
32 1 . 1 1 11 11 LYS CB C 11 33.360 33.360 32.314 1.046 17533
33 1 . 1 1 11 11 LYS H H 11 8.171 8.171 8.158 0.013 17533
34 1 . 1 1 21 21 ASP N N 21 119.900 119.900 122.507 -2.607 17533
35 1 . 1 1 21 21 ASP HA H 21 4.497 4.497 4.742 -0.245 17533
36 1 . 1 1 21 21 ASP CA C 21 54.300 54.300 54.461 -0.161 17533
37 1 . 1 1 21 21 ASP CB C 21 41.330 41.330 41.658 -0.328 17533
38 1 . 1 1 21 21 ASP H H 21 8.047 8.047 8.196 -0.149 17533
39 1 . 1 1 22 22 LYS N N 22 120.130 120.130 120.934 -0.804 17533
40 1 . 1 1 22 22 LYS HA H 22 4.103 4.103 3.997 0.106 17533
41 1 . 1 1 22 22 LYS CA C 22 56.350 56.350 57.297 -0.947 17533
42 1 . 1 1 22 22 LYS CB C 22 32.720 32.720 31.102 1.618 17533
43 1 . 1 1 22 22 LYS H H 22 7.992 7.992 8.577 -0.585 17533
44 1 . 1 1 23 23 TRP N N 23 120.070 120.070 119.434 0.636 17533
45 1 . 1 1 23 23 TRP HA H 23 4.554 4.554 4.392 0.162 17533
46 1 . 1 1 23 23 TRP CA C 23 57.760 57.760 56.933 0.827 17533
47 1 . 1 1 23 23 TRP CB C 23 29.630 29.630 29.719 -0.089 17533
48 1 . 1 1 23 23 TRP H H 23 7.995 7.995 7.817 0.178 17533
49 1 . 1 1 24 24 CYS N N 24 118.950 118.950 118.930 0.020 17533
50 1 . 1 1 24 24 CYS HA H 24 4.460 4.460 3.201 1.259 17533
51 1 . 1 1 24 24 CYS CA C 24 57.300 57.300 57.781 -0.481 17533
52 1 . 1 1 24 24 CYS CB C 24 40.740 40.740 26.127 14.613 17533
53 1 . 1 1 24 24 CYS H H 24 8.268 8.268 7.389 0.879 17533
54 1 . 1 1 25 25 ARG N N 25 121.070 121.070 122.142 -1.072 17533
55 1 . 1 1 25 25 ARG HA H 25 4.164 4.164 4.102 0.062 17533
56 1 . 1 1 25 25 ARG CA C 25 56.310 56.310 57.267 -0.957 17533
57 1 . 1 1 25 25 ARG CB C 25 30.420 30.420 30.626 -0.207 17533
58 1 . 1 1 25 25 ARG H H 25 8.165 8.165 7.942 0.223 17533
59 1 . 1 1 26 26 LEU N N 26 119.870 119.870 116.813 3.057 17533
60 1 . 1 1 26 26 LEU HA H 26 4.243 4.243 4.485 -0.242 17533
61 1 . 1 1 26 26 LEU CA C 26 55.950 55.950 52.918 3.032 17533
62 1 . 1 1 26 26 LEU CB C 26 42.520 42.520 42.932 -0.412 17533
63 1 . 1 1 26 26 LEU H H 26 7.833 7.833 7.169 0.664 17533
64 1 . 1 1 27 27 ASN N N 27 117.025 117.025 119.033 -2.008 17533
65 1 . 1 1 27 27 ASN HA H 27 4.481 4.481 4.548 -0.067 17533
66 1 . 1 1 27 27 ASN CA C 27 53.950 53.950 53.485 0.465 17533
67 1 . 1 1 27 27 ASN CB C 27 38.480 38.480 38.118 0.362 17533
68 1 . 1 1 27 27 ASN H H 27 8.078 8.078 8.316 -0.238 17533
69 1 . 1 1 28 28 LEU N N 28 120.260 120.260 124.672 -4.412 17533
70 1 . 1 1 28 28 LEU HA H 28 4.362 4.362 4.353 0.008 17533
71 1 . 1 1 28 28 LEU CA C 28 55.130 55.130 54.895 0.235 17533
72 1 . 1 1 28 28 LEU CB C 28 42.620 42.620 43.050 -0.430 17533
73 1 . 1 1 28 28 LEU H H 28 7.976 7.976 8.212 -0.236 17533
74 1 . 1 1 29 29 GLY N N 29 108.780 108.780 105.775 3.005 17533
75 1 . 1 1 29 29 GLY CA C 29 44.943 44.943 45.272 -0.328 17533
76 1 . 1 1 29 29 GLY H H 29 8.050 8.050 8.252 -0.202 17533
77 1 . 1 1 30 30 PRO HA H 30 4.369 4.369 4.244 0.125 17533
78 1 . 1 1 30 30 PRO CA C 30 64.070 64.070 64.051 0.019 17533
79 1 . 1 1 30 30 PRO CB C 30 32.140 32.140 29.772 2.369 17533
80 1 . 1 1 31 31 ALA N N 31 122.230 122.230 120.246 1.984 17533
81 1 . 1 1 31 31 ALA HA H 31 4.174 4.174 4.382 -0.208 17533
82 1 . 1 1 31 31 ALA CA C 31 52.800 52.800 52.215 0.585 17533
83 1 . 1 1 31 31 ALA CB C 31 18.700 18.700 19.608 -0.908 17533
84 1 . 1 1 31 31 ALA H H 31 8.308 8.308 8.673 -0.365 17533
85 1 . 1 1 32 32 TRP N N 32 119.100 119.100 120.090 -0.990 17533
86 1 . 1 1 32 32 TRP HA H 32 4.562 4.562 4.965 -0.403 17533
87 1 . 1 1 32 32 TRP CA C 32 57.270 57.270 57.219 0.051 17533
88 1 . 1 1 32 32 TRP CB C 32 29.710 29.710 31.797 -2.087 17533
89 1 . 1 1 32 32 TRP H H 32 7.720 7.720 8.129 -0.409 17533
90 1 . 1 1 33 33 GLY N N 33 110.630 110.630 107.890 2.740 17533
91 1 . 1 1 33 33 GLY CA C 33 45.809 45.809 45.027 0.782 17533
92 1 . 1 1 33 33 GLY H H 33 8.105 8.105 8.687 -0.582 17533
93 1 . 1 1 34 34 GLY N N 34 107.760 107.760 110.022 -2.262 17533
94 1 . 1 1 34 34 GLY CA C 34 45.137 45.137 45.051 0.086 17533
95 1 . 1 1 34 34 GLY H H 34 7.382 7.382 8.353 -0.972 17533
96 1 . 1 1 35 35 ARG N N 35 119.120 119.120 121.576 -2.456 17533
97 1 . 1 1 35 35 ARG HA H 35 4.470 4.470 4.283 0.187 17533
98 1 . 1 1 35 35 ARG CA C 35 55.930 55.930 56.083 -0.153 17533
99 1 . 1 1 35 35 ARG CB C 35 31.500 31.500 29.768 1.732 17533
100 1 . 1 1 35 35 ARG H H 35 7.964 7.964 8.334 -0.370 17533
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