data_25753
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25753
_Entry.PDB_ID 2N66
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 25753
_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 3 3 LYS HA H 3 4.270 4.270 4.160 0.110 25753
2 1 1 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.126 1.085 25753
3 1 1 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.072 0.250 25753
4 1 1 . 1 1 3 3 LYS H H 3 8.214 8.214 8.024 0.190 25753
5 1 1 . 1 1 4 4 CYS N N 4 116.570 116.570 121.643 -5.073 25753
6 1 1 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.277 0.417 25753
7 1 1 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.581 -2.809 25753
8 1 1 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.354 14.246 25753
9 1 1 . 1 1 4 4 CYS H H 4 8.430 8.430 8.524 -0.094 25753
10 1 1 . 1 1 5 5 LYS N N 5 118.500 118.500 118.517 -0.017 25753
11 1 1 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.478 1.024 25753
12 1 1 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.038 -1.472 25753
13 1 1 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.497 0.803 25753
14 1 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.697 0.268 25753
15 1 1 . 1 1 6 6 LYS N N 6 121.002 121.002 122.646 -1.644 25753
16 1 1 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.484 0.229 25753
17 1 1 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.113 -0.113 25753
18 1 1 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.605 0.968 25753
19 1 1 . 1 1 6 6 LYS H H 6 8.980 8.980 8.066 0.914 25753
20 1 1 . 1 1 7 7 VAL N N 7 127.157 127.157 124.286 2.871 25753
21 1 1 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.855 0.058 25753
22 1 1 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.351 1.049 25753
23 1 1 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.608 0.056 25753
24 1 1 . 1 1 7 7 VAL H H 7 8.756 8.756 8.474 0.282 25753
25 1 1 . 1 1 8 8 TYR N N 8 129.707 129.707 128.899 0.808 25753
26 1 1 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.359 0.024 25753
27 1 1 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.523 -3.373 25753
28 1 1 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.472 -3.851 25753
29 1 1 . 1 1 8 8 TYR H H 8 9.160 9.160 8.243 0.917 25753
30 1 1 . 1 1 9 9 GLU N N 9 130.601 130.601 122.978 7.623 25753
31 1 1 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753
32 1 1 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.617 -0.719 25753
33 1 1 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.023 -1.010 25753
34 1 1 . 1 1 9 9 GLU H H 9 8.964 8.964 8.981 -0.017 25753
35 1 1 . 1 1 10 10 ASN N N 10 115.766 115.766 114.330 1.436 25753
36 1 1 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.826 -0.461 25753
37 1 1 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.274 0.926 25753
38 1 1 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.158 -2.198 25753
39 1 1 . 1 1 10 10 ASN H H 10 9.232 9.232 8.146 1.086 25753
40 1 1 . 1 1 11 11 TYR N N 11 122.267 122.267 121.930 0.337 25753
41 1 1 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.741 -0.606 25753
42 1 1 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.831 2.116 25753
43 1 1 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.964 -0.859 25753
44 1 1 . 1 1 11 11 TYR H H 11 7.473 7.473 8.327 -0.854 25753
45 1 1 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.537 -0.105 25753
46 1 1 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.824 -0.977 25753
47 1 1 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.497 -2.247 25753
48 1 1 . 1 1 13 13 VAL N N 13 123.595 123.595 125.555 -1.960 25753
49 1 1 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.679 0.075 25753
50 1 1 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.776 0.724 25753
51 1 1 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.638 -0.527 25753
52 1 1 . 1 1 13 13 VAL H H 13 8.102 8.102 8.491 -0.389 25753
53 1 1 . 1 1 14 14 SER N N 14 116.945 116.945 115.401 1.544 25753
54 1 1 . 1 1 14 14 SER HA H 14 4.119 4.119 4.188 -0.069 25753
55 1 1 . 1 1 14 14 SER CA C 14 61.050 61.050 61.126 -0.076 25753
56 1 1 . 1 1 14 14 SER CB C 14 61.239 61.239 62.550 -1.310 25753
57 1 1 . 1 1 14 14 SER H H 14 8.387 8.387 8.200 0.187 25753
58 1 1 . 1 1 15 15 LYS N N 15 121.073 121.073 121.689 -0.616 25753
59 1 1 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.167 -0.098 25753
60 1 1 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.514 0.786 25753
61 1 1 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.945 -0.709 25753
62 1 1 . 1 1 15 15 LYS H H 15 7.821 7.821 8.315 -0.494 25753
63 1 1 . 1 1 16 16 CYS N N 16 115.469 115.469 119.084 -3.615 25753
64 1 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.316 0.420 25753
65 1 1 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.844 -3.044 25753
66 1 1 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.993 14.261 25753
67 1 1 . 1 1 16 16 CYS H H 16 7.844 7.844 7.674 0.170 25753
68 1 1 . 1 1 17 17 GLN N N 17 115.128 115.128 117.240 -2.112 25753
69 1 1 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.014 0.199 25753
70 1 1 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.667 -1.567 25753
71 1 1 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.901 -0.301 25753
72 1 1 . 1 1 17 17 GLN H H 17 7.381 7.381 7.516 -0.135 25753
73 1 1 . 1 1 18 18 LEU N N 18 120.972 120.972 119.907 1.065 25753
74 1 1 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.530 -0.024 25753
75 1 1 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.343 -0.042 25753
76 1 1 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.157 -0.063 25753
77 1 1 . 1 1 18 18 LEU H H 18 7.286 7.286 7.420 -0.134 25753
78 1 1 . 1 1 19 19 ALA N N 19 127.694 127.694 129.044 -1.350 25753
79 1 1 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.014 0.101 25753
80 1 1 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.460 -1.860 25753
81 1 1 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.505 -0.605 25753
82 1 1 . 1 1 19 19 ALA H H 19 8.556 8.556 8.951 -0.395 25753
83 1 1 . 1 1 20 20 ASN N N 20 116.006 116.006 114.806 1.200 25753
84 1 1 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.509 0.119 25753
85 1 1 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.946 -1.246 25753
86 1 1 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.728 1.265 25753
87 1 1 . 1 1 20 20 ASN H H 20 9.044 9.044 8.796 0.248 25753
88 1 1 . 1 1 21 21 GLN N N 21 122.731 122.731 121.107 1.624 25753
89 1 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.361 -0.530 25753
90 1 1 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.048 0.152 25753
91 1 1 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.948 0.142 25753
92 1 1 . 1 1 21 21 GLN H H 21 7.662 7.662 7.782 -0.120 25753
93 1 1 . 1 1 22 22 CYS N N 22 118.925 118.925 119.940 -1.015 25753
94 1 1 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.263 -0.000 25753
95 1 1 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.834 -5.734 25753
96 1 1 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.468 12.033 25753
97 1 1 . 1 1 22 22 CYS H H 22 8.475 8.475 7.919 0.556 25753
98 1 1 . 1 1 23 23 ASN N N 23 118.714 118.714 118.020 0.694 25753
99 1 1 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.471 -0.665 25753
100 1 1 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.117 0.284 25753
101 1 1 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.562 0.469 25753
102 1 1 . 1 1 23 23 ASN H H 23 7.972 7.972 8.277 -0.305 25753
103 1 1 . 1 1 24 24 TYR N N 24 117.828 117.828 120.134 -2.306 25753
104 1 1 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.149 -0.235 25753
105 1 1 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.422 -0.222 25753
106 1 1 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.405 -0.322 25753
107 1 1 . 1 1 24 24 TYR H H 24 8.107 8.107 7.817 0.290 25753
108 1 1 . 1 1 25 25 ASP N N 25 119.620 119.620 117.146 2.474 25753
109 1 1 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.312 0.317 25753
110 1 1 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.958 0.442 25753
111 1 1 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.896 -1.596 25753
112 1 1 . 1 1 25 25 ASP H H 25 9.064 9.064 8.403 0.661 25753
113 1 1 . 1 1 26 26 CYS N N 26 120.031 120.031 120.487 -0.456 25753
114 1 1 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.318 -0.213 25753
115 1 1 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.718 -1.518 25753
116 1 1 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.576 10.024 25753
117 1 1 . 1 1 26 26 CYS H H 26 9.280 9.280 8.421 0.859 25753
118 1 1 . 1 1 27 27 LYS N N 27 119.838 119.838 119.020 0.818 25753
119 1 1 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.345 -0.241 25753
120 1 1 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.062 1.238 25753
121 1 1 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.149 0.051 25753
122 1 1 . 1 1 27 27 LYS H H 27 7.646 7.646 8.511 -0.865 25753
123 1 1 . 1 1 28 28 LEU N N 28 119.791 119.791 121.293 -1.502 25753
124 1 1 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.174 -0.139 25753
125 1 1 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.717 -0.517 25753
126 1 1 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.660 -0.667 25753
127 1 1 . 1 1 28 28 LEU H H 28 8.257 8.257 7.891 0.366 25753
128 1 1 . 1 1 29 29 ASP N N 29 116.737 116.737 118.156 -1.419 25753
129 1 1 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.645 -0.169 25753
130 1 1 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.903 -1.306 25753
131 1 1 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.705 -1.405 25753
132 1 1 . 1 1 29 29 ASP H H 29 8.977 8.977 8.529 0.448 25753
133 1 1 . 1 1 30 30 LYS N N 30 111.907 111.907 116.392 -4.485 25753
134 1 1 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.349 0.132 25753
135 1 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.975 -2.996 25753
136 1 1 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.974 -1.490 25753
137 1 1 . 1 1 30 30 LYS H H 30 6.618 6.618 7.898 -1.280 25753
138 1 1 . 1 1 31 31 HIS N N 31 112.966 112.966 116.191 -3.225 25753
139 1 1 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.275 0.267 25753
140 1 1 . 1 1 31 31 HIS CA C 31 55.900 55.900 55.942 -0.042 25753
141 1 1 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.488 -3.021 25753
142 1 1 . 1 1 31 31 HIS H H 31 7.013 7.013 7.922 -0.909 25753
143 1 1 . 1 1 32 32 ALA N N 32 120.001 120.001 119.793 0.208 25753
144 1 1 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.979 0.076 25753
145 1 1 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.580 -1.180 25753
146 1 1 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.970 -1.070 25753
147 1 1 . 1 1 32 32 ALA H H 32 7.644 7.644 7.398 0.246 25753
148 1 1 . 1 1 33 33 ARG N N 33 116.588 116.588 120.124 -3.536 25753
149 1 1 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.033 0.104 25753
150 1 1 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.584 -0.686 25753
151 1 1 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.767 -0.380 25753
152 1 1 . 1 1 33 33 ARG H H 33 8.254 8.254 8.300 -0.046 25753
153 1 1 . 1 1 34 34 SER N N 34 109.178 109.178 109.359 -0.181 25753
154 1 1 . 1 1 34 34 SER HA H 34 4.593 4.593 4.995 -0.402 25753
155 1 1 . 1 1 34 34 SER CA C 34 57.500 57.500 57.327 0.173 25753
156 1 1 . 1 1 34 34 SER CB C 34 64.825 64.825 67.228 -2.403 25753
157 1 1 . 1 1 34 34 SER H H 34 7.989 7.989 7.646 0.343 25753
158 1 1 . 1 1 35 35 GLY N N 35 107.345 107.345 106.780 0.565 25753
159 1 1 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.881 0.819 25753
160 1 1 . 1 1 35 35 GLY H H 35 8.633 8.633 8.670 -0.037 25753
161 1 1 . 1 1 36 36 GLU N N 36 118.288 118.288 122.033 -3.745 25753
162 1 1 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.854 -0.562 25753
163 1 1 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.604 0.596 25753
164 1 1 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.810 -2.146 25753
165 1 1 . 1 1 36 36 GLU H H 36 8.236 8.236 9.000 -0.764 25753
166 1 1 . 1 1 37 37 CYS N N 37 120.776 120.776 118.935 1.841 25753
167 1 1 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.155 0.848 25753
168 1 1 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.550 -2.350 25753
169 1 1 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.523 17.177 25753
170 1 1 . 1 1 37 37 CYS H H 37 8.856 8.856 8.682 0.174 25753
171 1 1 . 1 1 38 38 PHE N N 38 121.520 121.520 121.875 -0.355 25753
172 1 1 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.857 -0.170 25753
173 1 1 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.716 0.784 25753
174 1 1 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.477 0.536 25753
175 1 1 . 1 1 38 38 PHE H H 38 9.082 9.082 9.212 -0.130 25753
176 1 1 . 1 1 39 39 TYR N N 39 122.581 122.581 122.180 0.401 25753
177 1 1 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.710 -0.098 25753
178 1 1 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.271 0.529 25753
179 1 1 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.950 0.149 25753
180 1 1 . 1 1 39 39 TYR H H 39 8.683 8.683 8.617 0.066 25753
181 1 1 . 1 1 40 40 LYS N N 40 126.022 126.022 125.093 0.929 25753
182 1 1 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.612 -0.293 25753
183 1 1 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.758 0.942 25753
184 1 1 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.310 -1.510 25753
185 1 1 . 1 1 40 40 LYS H H 40 8.319 8.319 8.436 -0.117 25753
186 1 1 . 1 1 41 41 GLU N N 41 120.017 120.017 118.842 1.175 25753
187 1 1 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753
188 1 1 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.142 -1.341 25753
189 1 1 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.960 -0.897 25753
190 1 1 . 1 1 41 41 GLU H H 41 8.657 8.657 8.628 0.029 25753
191 1 1 . 1 1 42 42 LYS N N 42 116.887 116.887 119.901 -3.014 25753
192 1 1 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.157 -0.365 25753
193 1 1 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.307 -0.607 25753
194 1 1 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.492 -1.692 25753
195 1 1 . 1 1 42 42 LYS H H 42 8.468 8.468 8.512 -0.044 25753
196 1 1 . 1 1 43 43 ARG N N 43 115.559 115.559 114.942 0.617 25753
197 1 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.532 -0.306 25753
198 1 1 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.685 0.315 25753
199 1 1 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.665 -1.865 25753
200 1 1 . 1 1 43 43 ARG H H 43 8.165 8.165 8.253 -0.088 25753
201 1 1 . 1 1 44 44 ASN N N 44 117.868 117.868 119.361 -1.493 25753
202 1 1 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.613 0.268 25753
203 1 1 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.943 -1.543 25753
204 1 1 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.214 -0.014 25753
205 1 1 . 1 1 44 44 ASN H H 44 7.983 7.983 8.161 -0.178 25753
206 1 1 . 1 1 45 45 LEU N N 45 125.712 125.712 121.270 4.442 25753
207 1 1 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.579 -0.273 25753
208 1 1 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.745 1.355 25753
209 1 1 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.500 -2.433 25753
210 1 1 . 1 1 45 45 LEU H H 45 8.193 8.193 8.330 -0.137 25753
211 1 1 . 1 1 46 46 GLN N N 46 120.613 120.613 119.365 1.248 25753
212 1 1 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.694 -0.029 25753
213 1 1 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.240 -0.240 25753
214 1 1 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.120 -1.159 25753
215 1 1 . 1 1 46 46 GLN H H 46 8.425 8.425 8.671 -0.246 25753
216 1 1 . 1 1 47 47 CYS N N 47 122.193 122.193 120.979 1.214 25753
217 1 1 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.994 -0.191 25753
218 1 1 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.640 -3.940 25753
219 1 1 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.933 10.067 25753
220 1 1 . 1 1 47 47 CYS H H 47 9.198 9.198 8.963 0.235 25753
221 1 1 . 1 1 48 48 ILE N N 48 129.093 129.093 125.574 3.519 25753
222 1 1 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.647 -0.347 25753
223 1 1 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.724 0.476 25753
224 1 1 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.583 -2.483 25753
225 1 1 . 1 1 48 48 ILE H H 48 8.696 8.696 9.000 -0.304 25753
226 1 1 . 1 1 49 49 CYS N N 49 126.279 126.279 124.169 2.110 25753
227 1 1 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.477 0.790 25753
228 1 1 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.104 -7.717 25753
229 1 1 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.461 6.086 25753
230 1 1 . 1 1 49 49 CYS H H 49 8.555 8.555 8.895 -0.340 25753
231 1 1 . 1 1 50 50 ASP N N 50 122.491 122.491 119.510 2.981 25753
232 1 1 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.864 0.599 25753
233 1 1 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.564 -1.464 25753
234 1 1 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.439 -1.393 25753
235 1 1 . 1 1 50 50 ASP H H 50 8.813 8.813 8.427 0.386 25753
236 1 1 . 1 1 51 51 TYR N N 51 124.921 124.921 121.559 3.362 25753
237 1 1 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753
238 1 1 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.188 1.912 25753
239 1 1 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.633 -0.133 25753
240 1 1 . 1 1 51 51 TYR H H 51 9.633 9.633 8.537 1.096 25753
241 1 1 . 1 1 52 52 CYS N N 52 120.435 120.435 116.429 4.006 25753
242 1 1 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.750 -0.336 25753
243 1 1 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.943 -3.143 25753
244 1 1 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.593 12.407 25753
245 1 1 . 1 1 52 52 CYS H H 52 9.550 9.550 7.567 1.983 25753
246 1 1 . 1 1 53 53 GLU N N 53 120.972 120.972 120.748 0.224 25753
247 1 1 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.405 -0.158 25753
248 1 1 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.380 -1.079 25753
249 1 1 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.187 -0.114 25753
250 1 1 . 1 1 53 53 GLU H H 53 8.335 8.335 8.410 -0.075 25753
251 1 2 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.381 -0.111 25753
252 1 2 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.625 0.586 25753
253 1 2 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.108 -0.786 25753
254 1 2 . 1 1 3 3 LYS H H 3 8.214 8.214 8.149 0.065 25753
255 1 2 . 1 1 4 4 CYS N N 4 116.570 116.570 118.085 -1.515 25753
256 1 2 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.340 0.354 25753
257 1 2 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.730 -2.958 25753
258 1 2 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.425 15.175 25753
259 1 2 . 1 1 4 4 CYS H H 4 8.430 8.430 8.199 0.231 25753
260 1 2 . 1 1 5 5 LYS N N 5 118.500 118.500 118.577 -0.077 25753
261 1 2 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.474 1.028 25753
262 1 2 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.035 -1.469 25753
263 1 2 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.534 0.766 25753
264 1 2 . 1 1 5 5 LYS H H 5 7.965 7.965 7.740 0.225 25753
265 1 2 . 1 1 6 6 LYS N N 6 121.002 121.002 121.902 -0.900 25753
266 1 2 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.503 0.210 25753
267 1 2 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.254 -0.254 25753
268 1 2 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.419 1.155 25753
269 1 2 . 1 1 6 6 LYS H H 6 8.980 8.980 7.938 1.042 25753
270 1 2 . 1 1 7 7 VAL N N 7 127.157 127.157 124.597 2.560 25753
271 1 2 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.895 0.018 25753
272 1 2 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.622 1.778 25753
273 1 2 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.430 0.234 25753
274 1 2 . 1 1 7 7 VAL H H 7 8.756 8.756 8.368 0.388 25753
275 1 2 . 1 1 8 8 TYR N N 8 129.707 129.707 129.186 0.521 25753
276 1 2 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.385 -0.002 25753
277 1 2 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.529 -3.379 25753
278 1 2 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.619 -3.998 25753
279 1 2 . 1 1 8 8 TYR H H 8 9.160 9.160 8.321 0.839 25753
280 1 2 . 1 1 9 9 GLU N N 9 130.601 130.601 123.154 7.447 25753
281 1 2 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.087 0.033 25753
282 1 2 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.820 -0.922 25753
283 1 2 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.123 -1.110 25753
284 1 2 . 1 1 9 9 GLU H H 9 8.964 8.964 8.855 0.109 25753
285 1 2 . 1 1 10 10 ASN N N 10 115.766 115.766 115.192 0.574 25753
286 1 2 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.878 -0.513 25753
287 1 2 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.443 0.757 25753
288 1 2 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.574 -2.614 25753
289 1 2 . 1 1 10 10 ASN H H 10 9.232 9.232 8.366 0.866 25753
290 1 2 . 1 1 11 11 TYR N N 11 122.267 122.267 123.410 -1.143 25753
291 1 2 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.785 -0.650 25753
292 1 2 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.957 1.990 25753
293 1 2 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.232 -1.127 25753
294 1 2 . 1 1 11 11 TYR H H 11 7.473 7.473 8.385 -0.912 25753
295 1 2 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.531 -0.099 25753
296 1 2 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.880 -1.033 25753
297 1 2 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.445 -2.195 25753
298 1 2 . 1 1 13 13 VAL N N 13 123.595 123.595 125.368 -1.773 25753
299 1 2 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.688 0.066 25753
300 1 2 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.846 0.654 25753
301 1 2 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.694 -0.583 25753
302 1 2 . 1 1 13 13 VAL H H 13 8.102 8.102 8.585 -0.483 25753
303 1 2 . 1 1 14 14 SER N N 14 116.945 116.945 115.662 1.283 25753
304 1 2 . 1 1 14 14 SER HA H 14 4.119 4.119 4.307 -0.188 25753
305 1 2 . 1 1 14 14 SER CA C 14 61.050 61.050 61.485 -0.435 25753
306 1 2 . 1 1 14 14 SER CB C 14 61.239 61.239 62.646 -1.407 25753
307 1 2 . 1 1 14 14 SER H H 14 8.387 8.387 8.274 0.113 25753
308 1 2 . 1 1 15 15 LYS N N 15 121.073 121.073 122.275 -1.202 25753
309 1 2 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.135 -0.066 25753
310 1 2 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.567 0.733 25753
311 1 2 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.911 -0.676 25753
312 1 2 . 1 1 15 15 LYS H H 15 7.821 7.821 8.391 -0.570 25753
313 1 2 . 1 1 16 16 CYS N N 16 115.469 115.469 119.256 -3.787 25753
314 1 2 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.295 0.441 25753
315 1 2 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.081 -3.281 25753
316 1 2 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.990 14.264 25753
317 1 2 . 1 1 16 16 CYS H H 16 7.844 7.844 7.733 0.111 25753
318 1 2 . 1 1 17 17 GLN N N 17 115.128 115.128 117.612 -2.484 25753
319 1 2 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.013 0.200 25753
320 1 2 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.639 -1.539 25753
321 1 2 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.896 -0.296 25753
322 1 2 . 1 1 17 17 GLN H H 17 7.381 7.381 7.481 -0.100 25753
323 1 2 . 1 1 18 18 LEU N N 18 120.972 120.972 119.611 1.361 25753
324 1 2 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.550 -0.044 25753
325 1 2 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.451 -0.151 25753
326 1 2 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.133 -0.039 25753
327 1 2 . 1 1 18 18 LEU H H 18 7.286 7.286 7.470 -0.184 25753
328 1 2 . 1 1 19 19 ALA N N 19 127.694 127.694 128.910 -1.216 25753
329 1 2 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.025 0.090 25753
330 1 2 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.418 -1.818 25753
331 1 2 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.578 -0.678 25753
332 1 2 . 1 1 19 19 ALA H H 19 8.556 8.556 8.978 -0.422 25753
333 1 2 . 1 1 20 20 ASN N N 20 116.006 116.006 115.131 0.875 25753
334 1 2 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.478 0.150 25753
335 1 2 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.971 -1.270 25753
336 1 2 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.978 1.015 25753
337 1 2 . 1 1 20 20 ASN H H 20 9.044 9.044 8.801 0.243 25753
338 1 2 . 1 1 21 21 GLN N N 21 122.731 122.731 120.846 1.885 25753
339 1 2 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.307 -0.476 25753
340 1 2 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.163 0.037 25753
341 1 2 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.927 0.163 25753
342 1 2 . 1 1 21 21 GLN H H 21 7.662 7.662 7.659 0.003 25753
343 1 2 . 1 1 22 22 CYS N N 22 118.925 118.925 119.933 -1.008 25753
344 1 2 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.261 0.002 25753
345 1 2 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.830 -5.730 25753
346 1 2 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.465 12.036 25753
347 1 2 . 1 1 22 22 CYS H H 22 8.475 8.475 7.915 0.560 25753
348 1 2 . 1 1 23 23 ASN N N 23 118.714 118.714 117.994 0.720 25753
349 1 2 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.464 -0.658 25753
350 1 2 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.082 0.318 25753
351 1 2 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.574 0.457 25753
352 1 2 . 1 1 23 23 ASN H H 23 7.972 7.972 8.251 -0.279 25753
353 1 2 . 1 1 24 24 TYR N N 24 117.828 117.828 120.151 -2.323 25753
354 1 2 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.155 -0.241 25753
355 1 2 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.438 -0.238 25753
356 1 2 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.430 -0.347 25753
357 1 2 . 1 1 24 24 TYR H H 24 8.107 8.107 7.840 0.267 25753
358 1 2 . 1 1 25 25 ASP N N 25 119.620 119.620 117.167 2.453 25753
359 1 2 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.336 0.293 25753
360 1 2 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.921 0.479 25753
361 1 2 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.926 -1.626 25753
362 1 2 . 1 1 25 25 ASP H H 25 9.064 9.064 8.415 0.649 25753
363 1 2 . 1 1 26 26 CYS N N 26 120.031 120.031 120.470 -0.439 25753
364 1 2 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.317 -0.212 25753
365 1 2 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.733 -1.533 25753
366 1 2 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.579 10.021 25753
367 1 2 . 1 1 26 26 CYS H H 26 9.280 9.280 8.421 0.859 25753
368 1 2 . 1 1 27 27 LYS N N 27 119.838 119.838 119.032 0.806 25753
369 1 2 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.265 -0.161 25753
370 1 2 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.086 1.214 25753
371 1 2 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.092 0.108 25753
372 1 2 . 1 1 27 27 LYS H H 27 7.646 7.646 8.483 -0.837 25753
373 1 2 . 1 1 28 28 LEU N N 28 119.791 119.791 121.215 -1.424 25753
374 1 2 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.408 -0.373 25753
375 1 2 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.741 -0.541 25753
376 1 2 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.805 -0.813 25753
377 1 2 . 1 1 28 28 LEU H H 28 8.257 8.257 7.949 0.308 25753
378 1 2 . 1 1 29 29 ASP N N 29 116.737 116.737 119.514 -2.777 25753
379 1 2 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.634 -0.158 25753
380 1 2 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.504 -0.907 25753
381 1 2 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.610 -1.310 25753
382 1 2 . 1 1 29 29 ASP H H 29 8.977 8.977 8.591 0.386 25753
383 1 2 . 1 1 30 30 LYS N N 30 111.907 111.907 116.773 -4.866 25753
384 1 2 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.288 0.193 25753
385 1 2 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.382 -3.403 25753
386 1 2 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.004 -1.520 25753
387 1 2 . 1 1 30 30 LYS H H 30 6.618 6.618 7.795 -1.177 25753
388 1 2 . 1 1 31 31 HIS N N 31 112.966 112.966 116.070 -3.104 25753
389 1 2 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.291 0.251 25753
390 1 2 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.438 -0.537 25753
391 1 2 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.573 -3.106 25753
392 1 2 . 1 1 31 31 HIS H H 31 7.013 7.013 7.998 -0.985 25753
393 1 2 . 1 1 32 32 ALA N N 32 120.001 120.001 120.197 -0.196 25753
394 1 2 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.938 0.117 25753
395 1 2 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.808 -1.408 25753
396 1 2 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.732 -0.832 25753
397 1 2 . 1 1 32 32 ALA H H 32 7.644 7.644 7.296 0.348 25753
398 1 2 . 1 1 33 33 ARG N N 33 116.588 116.588 120.263 -3.675 25753
399 1 2 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.965 0.172 25753
400 1 2 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.731 -0.833 25753
401 1 2 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.752 -0.365 25753
402 1 2 . 1 1 33 33 ARG H H 33 8.254 8.254 8.381 -0.127 25753
403 1 2 . 1 1 34 34 SER N N 34 109.178 109.178 109.161 0.017 25753
404 1 2 . 1 1 34 34 SER HA H 34 4.593 4.593 4.737 -0.144 25753
405 1 2 . 1 1 34 34 SER CA C 34 57.500 57.500 57.520 -0.020 25753
406 1 2 . 1 1 34 34 SER CB C 34 64.825 64.825 66.499 -1.674 25753
407 1 2 . 1 1 34 34 SER H H 34 7.989 7.989 7.645 0.344 25753
408 1 2 . 1 1 35 35 GLY N N 35 107.345 107.345 106.754 0.591 25753
409 1 2 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.839 0.861 25753
410 1 2 . 1 1 35 35 GLY H H 35 8.633 8.633 8.662 -0.029 25753
411 1 2 . 1 1 36 36 GLU N N 36 118.288 118.288 121.942 -3.654 25753
412 1 2 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.857 -0.565 25753
413 1 2 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.616 0.584 25753
414 1 2 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.849 -2.186 25753
415 1 2 . 1 1 36 36 GLU H H 36 8.236 8.236 9.022 -0.786 25753
416 1 2 . 1 1 37 37 CYS N N 37 120.776 120.776 118.945 1.831 25753
417 1 2 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.166 0.837 25753
418 1 2 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.556 -2.356 25753
419 1 2 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.534 17.166 25753
420 1 2 . 1 1 37 37 CYS H H 37 8.856 8.856 8.686 0.170 25753
421 1 2 . 1 1 38 38 PHE N N 38 121.520 121.520 121.865 -0.345 25753
422 1 2 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.856 -0.169 25753
423 1 2 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.709 0.791 25753
424 1 2 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.468 0.545 25753
425 1 2 . 1 1 38 38 PHE H H 38 9.082 9.082 9.223 -0.141 25753
426 1 2 . 1 1 39 39 TYR N N 39 122.581 122.581 122.187 0.394 25753
427 1 2 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.709 -0.097 25753
428 1 2 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.267 0.533 25753
429 1 2 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.949 0.151 25753
430 1 2 . 1 1 39 39 TYR H H 39 8.683 8.683 8.619 0.064 25753
431 1 2 . 1 1 40 40 LYS N N 40 126.022 126.022 125.431 0.591 25753
432 1 2 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.574 -0.255 25753
433 1 2 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.221 0.479 25753
434 1 2 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.066 -1.266 25753
435 1 2 . 1 1 40 40 LYS H H 40 8.319 8.319 8.449 -0.130 25753
436 1 2 . 1 1 41 41 GLU N N 41 120.017 120.017 117.802 2.215 25753
437 1 2 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753
438 1 2 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.970 -1.170 25753
439 1 2 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.916 0.147 25753
440 1 2 . 1 1 41 41 GLU H H 41 8.657 8.657 8.535 0.122 25753
441 1 2 . 1 1 42 42 LYS N N 42 116.887 116.887 121.074 -4.187 25753
442 1 2 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.211 -0.419 25753
443 1 2 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.978 -0.278 25753
444 1 2 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.587 -1.787 25753
445 1 2 . 1 1 42 42 LYS H H 42 8.468 8.468 8.307 0.161 25753
446 1 2 . 1 1 43 43 ARG N N 43 115.559 115.559 116.828 -1.269 25753
447 1 2 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.460 -0.234 25753
448 1 2 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.873 0.127 25753
449 1 2 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.581 -0.781 25753
450 1 2 . 1 1 43 43 ARG H H 43 8.165 8.165 8.024 0.141 25753
451 1 2 . 1 1 44 44 ASN N N 44 117.868 117.868 119.080 -1.212 25753
452 1 2 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.621 0.260 25753
453 1 2 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.086 -1.686 25753
454 1 2 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.000 0.200 25753
455 1 2 . 1 1 44 44 ASN H H 44 7.983 7.983 7.861 0.122 25753
456 1 2 . 1 1 45 45 LEU N N 45 125.712 125.712 121.352 4.360 25753
457 1 2 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753
458 1 2 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.744 1.356 25753
459 1 2 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.754 -2.687 25753
460 1 2 . 1 1 45 45 LEU H H 45 8.193 8.193 8.349 -0.156 25753
461 1 2 . 1 1 46 46 GLN N N 46 120.613 120.613 119.358 1.255 25753
462 1 2 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.693 -0.028 25753
463 1 2 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.276 -0.276 25753
464 1 2 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.137 -1.176 25753
465 1 2 . 1 1 46 46 GLN H H 46 8.425 8.425 8.627 -0.202 25753
466 1 2 . 1 1 47 47 CYS N N 47 122.193 122.193 121.039 1.154 25753
467 1 2 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.996 -0.193 25753
468 1 2 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.635 -3.935 25753
469 1 2 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.909 10.091 25753
470 1 2 . 1 1 47 47 CYS H H 47 9.198 9.198 8.967 0.231 25753
471 1 2 . 1 1 48 48 ILE N N 48 129.093 129.093 125.607 3.486 25753
472 1 2 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.645 -0.345 25753
473 1 2 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.723 0.477 25753
474 1 2 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.571 -2.471 25753
475 1 2 . 1 1 48 48 ILE H H 48 8.696 8.696 9.013 -0.317 25753
476 1 2 . 1 1 49 49 CYS N N 49 126.279 126.279 124.146 2.133 25753
477 1 2 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.478 0.789 25753
478 1 2 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.037 -7.650 25753
479 1 2 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.514 6.034 25753
480 1 2 . 1 1 49 49 CYS H H 49 8.555 8.555 8.906 -0.351 25753
481 1 2 . 1 1 50 50 ASP N N 50 122.491 122.491 119.640 2.851 25753
482 1 2 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.838 0.625 25753
483 1 2 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.627 -1.527 25753
484 1 2 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.546 -1.500 25753
485 1 2 . 1 1 50 50 ASP H H 50 8.813 8.813 8.413 0.400 25753
486 1 2 . 1 1 51 51 TYR N N 51 124.921 124.921 121.397 3.524 25753
487 1 2 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.800 -0.600 25753
488 1 2 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.011 2.089 25753
489 1 2 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.456 0.044 25753
490 1 2 . 1 1 51 51 TYR H H 51 9.633 9.633 8.581 1.052 25753
491 1 2 . 1 1 52 52 CYS N N 52 120.435 120.435 116.818 3.617 25753
492 1 2 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.757 -0.343 25753
493 1 2 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.936 -3.136 25753
494 1 2 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.949 13.051 25753
495 1 2 . 1 1 52 52 CYS H H 52 9.550 9.550 7.866 1.684 25753
496 1 2 . 1 1 53 53 GLU N N 53 120.972 120.972 118.363 2.609 25753
497 1 2 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.647 -0.400 25753
498 1 2 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.531 -0.231 25753
499 1 2 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.189 -0.116 25753
500 1 2 . 1 1 53 53 GLU H H 53 8.335 8.335 8.303 0.032 25753
501 1 3 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.339 -0.069 25753
502 1 3 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.462 0.749 25753
503 1 3 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.800 -0.478 25753
504 1 3 . 1 1 3 3 LYS H H 3 8.214 8.214 8.104 0.110 25753
505 1 3 . 1 1 4 4 CYS N N 4 116.570 116.570 118.529 -1.959 25753
506 1 3 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.355 0.339 25753
507 1 3 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.756 -2.984 25753
508 1 3 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.264 15.336 25753
509 1 3 . 1 1 4 4 CYS H H 4 8.430 8.430 8.211 0.219 25753
510 1 3 . 1 1 5 5 LYS N N 5 118.500 118.500 118.461 0.039 25753
511 1 3 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.470 1.032 25753
512 1 3 . 1 1 5 5 LYS CA C 5 54.566 54.566 55.985 -1.419 25753
513 1 3 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.488 0.812 25753
514 1 3 . 1 1 5 5 LYS H H 5 7.965 7.965 7.710 0.255 25753
515 1 3 . 1 1 6 6 LYS N N 6 121.002 121.002 121.825 -0.823 25753
516 1 3 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.521 0.192 25753
517 1 3 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.180 -0.180 25753
518 1 3 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.454 1.119 25753
519 1 3 . 1 1 6 6 LYS H H 6 8.980 8.980 8.010 0.970 25753
520 1 3 . 1 1 7 7 VAL N N 7 127.157 127.157 124.362 2.795 25753
521 1 3 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.892 0.021 25753
522 1 3 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.355 1.045 25753
523 1 3 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.685 -0.021 25753
524 1 3 . 1 1 7 7 VAL H H 7 8.756 8.756 8.515 0.241 25753
525 1 3 . 1 1 8 8 TYR N N 8 129.707 129.707 129.371 0.336 25753
526 1 3 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.358 0.025 25753
527 1 3 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.629 -3.479 25753
528 1 3 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.636 -4.016 25753
529 1 3 . 1 1 8 8 TYR H H 8 9.160 9.160 8.299 0.861 25753
530 1 3 . 1 1 9 9 GLU N N 9 130.601 130.601 123.019 7.582 25753
531 1 3 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.101 0.019 25753
532 1 3 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.706 -0.808 25753
533 1 3 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.960 -0.947 25753
534 1 3 . 1 1 9 9 GLU H H 9 8.964 8.964 8.856 0.108 25753
535 1 3 . 1 1 10 10 ASN N N 10 115.766 115.766 114.846 0.920 25753
536 1 3 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.840 -0.475 25753
537 1 3 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.161 1.039 25753
538 1 3 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.911 -1.952 25753
539 1 3 . 1 1 10 10 ASN H H 10 9.232 9.232 8.336 0.896 25753
540 1 3 . 1 1 11 11 TYR N N 11 122.267 122.267 122.749 -0.482 25753
541 1 3 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.774 -0.639 25753
542 1 3 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.960 1.987 25753
543 1 3 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.588 -0.483 25753
544 1 3 . 1 1 11 11 TYR H H 11 7.473 7.473 8.335 -0.862 25753
545 1 3 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.545 -0.113 25753
546 1 3 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.839 -0.992 25753
547 1 3 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.522 -2.272 25753
548 1 3 . 1 1 13 13 VAL N N 13 123.595 123.595 125.545 -1.950 25753
549 1 3 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753
550 1 3 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.791 0.709 25753
551 1 3 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.686 -0.574 25753
552 1 3 . 1 1 13 13 VAL H H 13 8.102 8.102 8.600 -0.498 25753
553 1 3 . 1 1 14 14 SER N N 14 116.945 116.945 115.677 1.268 25753
554 1 3 . 1 1 14 14 SER HA H 14 4.119 4.119 4.204 -0.085 25753
555 1 3 . 1 1 14 14 SER CA C 14 61.050 61.050 61.754 -0.704 25753
556 1 3 . 1 1 14 14 SER CB C 14 61.239 61.239 62.612 -1.373 25753
557 1 3 . 1 1 14 14 SER H H 14 8.387 8.387 8.298 0.089 25753
558 1 3 . 1 1 15 15 LYS N N 15 121.073 121.073 122.486 -1.413 25753
559 1 3 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.113 -0.044 25753
560 1 3 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.848 0.452 25753
561 1 3 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.048 -0.813 25753
562 1 3 . 1 1 15 15 LYS H H 15 7.821 7.821 8.322 -0.501 25753
563 1 3 . 1 1 16 16 CYS N N 16 115.469 115.469 118.732 -3.263 25753
564 1 3 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.297 0.439 25753
565 1 3 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.980 -3.179 25753
566 1 3 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.921 14.333 25753
567 1 3 . 1 1 16 16 CYS H H 16 7.844 7.844 7.650 0.194 25753
568 1 3 . 1 1 17 17 GLN N N 17 115.128 115.128 117.149 -2.021 25753
569 1 3 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.026 0.187 25753
570 1 3 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.576 -1.476 25753
571 1 3 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.959 -0.359 25753
572 1 3 . 1 1 17 17 GLN H H 17 7.381 7.381 7.505 -0.124 25753
573 1 3 . 1 1 18 18 LEU N N 18 120.972 120.972 119.777 1.195 25753
574 1 3 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.598 -0.092 25753
575 1 3 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.316 -0.016 25753
576 1 3 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.387 -0.293 25753
577 1 3 . 1 1 18 18 LEU H H 18 7.286 7.286 7.774 -0.488 25753
578 1 3 . 1 1 19 19 ALA N N 19 127.694 127.694 128.836 -1.142 25753
579 1 3 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.034 0.081 25753
580 1 3 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.566 -1.966 25753
581 1 3 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.468 -0.568 25753
582 1 3 . 1 1 19 19 ALA H H 19 8.556 8.556 8.976 -0.420 25753
583 1 3 . 1 1 20 20 ASN N N 20 116.006 116.006 115.042 0.964 25753
584 1 3 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.406 0.222 25753
585 1 3 . 1 1 20 20 ASN CA C 20 54.700 54.700 56.345 -1.645 25753
586 1 3 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.775 1.218 25753
587 1 3 . 1 1 20 20 ASN H H 20 9.044 9.044 8.788 0.256 25753
588 1 3 . 1 1 21 21 GLN N N 21 122.731 122.731 120.714 2.017 25753
589 1 3 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.286 -0.455 25753
590 1 3 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.219 -0.019 25753
591 1 3 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.782 0.308 25753
592 1 3 . 1 1 21 21 GLN H H 21 7.662 7.662 7.425 0.237 25753
593 1 3 . 1 1 22 22 CYS N N 22 118.925 118.925 119.950 -1.025 25753
594 1 3 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.153 0.110 25753
595 1 3 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.720 -5.620 25753
596 1 3 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.402 12.098 25753
597 1 3 . 1 1 22 22 CYS H H 22 8.475 8.475 7.875 0.600 25753
598 1 3 . 1 1 23 23 ASN N N 23 118.714 118.714 118.127 0.587 25753
599 1 3 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.431 -0.625 25753
600 1 3 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.066 0.334 25753
601 1 3 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.551 0.480 25753
602 1 3 . 1 1 23 23 ASN H H 23 7.972 7.972 8.300 -0.328 25753
603 1 3 . 1 1 24 24 TYR N N 24 117.828 117.828 120.143 -2.315 25753
604 1 3 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.129 -0.215 25753
605 1 3 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.444 -0.244 25753
606 1 3 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.419 -0.336 25753
607 1 3 . 1 1 24 24 TYR H H 24 8.107 8.107 7.897 0.210 25753
608 1 3 . 1 1 25 25 ASP N N 25 119.620 119.620 117.199 2.421 25753
609 1 3 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.347 0.282 25753
610 1 3 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.834 0.566 25753
611 1 3 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.959 -1.659 25753
612 1 3 . 1 1 25 25 ASP H H 25 9.064 9.064 8.410 0.654 25753
613 1 3 . 1 1 26 26 CYS N N 26 120.031 120.031 120.407 -0.376 25753
614 1 3 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.239 -0.134 25753
615 1 3 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.651 -1.451 25753
616 1 3 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.533 10.067 25753
617 1 3 . 1 1 26 26 CYS H H 26 9.280 9.280 8.375 0.905 25753
618 1 3 . 1 1 27 27 LYS N N 27 119.838 119.838 119.026 0.812 25753
619 1 3 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.211 -0.107 25753
620 1 3 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753
621 1 3 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.030 0.170 25753
622 1 3 . 1 1 27 27 LYS H H 27 7.646 7.646 8.453 -0.807 25753
623 1 3 . 1 1 28 28 LEU N N 28 119.791 119.791 121.293 -1.502 25753
624 1 3 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.326 -0.291 25753
625 1 3 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.742 -0.542 25753
626 1 3 . 1 1 28 28 LEU CB C 28 41.992 41.992 43.014 -1.022 25753
627 1 3 . 1 1 28 28 LEU H H 28 8.257 8.257 7.902 0.355 25753
628 1 3 . 1 1 29 29 ASP N N 29 116.737 116.737 118.445 -1.708 25753
629 1 3 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.708 -0.232 25753
630 1 3 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.256 -0.659 25753
631 1 3 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.848 -1.548 25753
632 1 3 . 1 1 29 29 ASP H H 29 8.977 8.977 8.654 0.323 25753
633 1 3 . 1 1 30 30 LYS N N 30 111.907 111.907 116.850 -4.943 25753
634 1 3 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.386 0.095 25753
635 1 3 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.817 -2.838 25753
636 1 3 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.226 -1.742 25753
637 1 3 . 1 1 30 30 LYS H H 30 6.618 6.618 7.903 -1.285 25753
638 1 3 . 1 1 31 31 HIS N N 31 112.966 112.966 116.305 -3.339 25753
639 1 3 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.294 0.248 25753
640 1 3 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.601 -0.701 25753
641 1 3 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.380 -2.913 25753
642 1 3 . 1 1 31 31 HIS H H 31 7.013 7.013 7.988 -0.975 25753
643 1 3 . 1 1 32 32 ALA N N 32 120.001 120.001 120.215 -0.214 25753
644 1 3 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.972 0.083 25753
645 1 3 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.786 -1.386 25753
646 1 3 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.657 -0.757 25753
647 1 3 . 1 1 32 32 ALA H H 32 7.644 7.644 7.325 0.319 25753
648 1 3 . 1 1 33 33 ARG N N 33 116.588 116.588 120.512 -3.924 25753
649 1 3 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.961 0.176 25753
650 1 3 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.907 -1.009 25753
651 1 3 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.651 -0.264 25753
652 1 3 . 1 1 33 33 ARG H H 33 8.254 8.254 8.386 -0.132 25753
653 1 3 . 1 1 34 34 SER N N 34 109.178 109.178 109.217 -0.039 25753
654 1 3 . 1 1 34 34 SER HA H 34 4.593 4.593 4.695 -0.102 25753
655 1 3 . 1 1 34 34 SER CA C 34 57.500 57.500 57.585 -0.085 25753
656 1 3 . 1 1 34 34 SER CB C 34 64.825 64.825 67.107 -2.282 25753
657 1 3 . 1 1 34 34 SER H H 34 7.989 7.989 7.559 0.430 25753
658 1 3 . 1 1 35 35 GLY N N 35 107.345 107.345 106.768 0.577 25753
659 1 3 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.806 0.895 25753
660 1 3 . 1 1 35 35 GLY H H 35 8.633 8.633 8.687 -0.054 25753
661 1 3 . 1 1 36 36 GLU N N 36 118.288 118.288 121.607 -3.319 25753
662 1 3 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.838 -0.546 25753
663 1 3 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.692 0.508 25753
664 1 3 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.889 -2.224 25753
665 1 3 . 1 1 36 36 GLU H H 36 8.236 8.236 9.125 -0.889 25753
666 1 3 . 1 1 37 37 CYS N N 37 120.776 120.776 118.966 1.810 25753
667 1 3 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.178 0.825 25753
668 1 3 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.543 -2.343 25753
669 1 3 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.544 17.156 25753
670 1 3 . 1 1 37 37 CYS H H 37 8.856 8.856 8.676 0.180 25753
671 1 3 . 1 1 38 38 PHE N N 38 121.520 121.520 121.871 -0.351 25753
672 1 3 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.851 -0.164 25753
673 1 3 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.702 0.798 25753
674 1 3 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.502 0.511 25753
675 1 3 . 1 1 38 38 PHE H H 38 9.082 9.082 9.224 -0.142 25753
676 1 3 . 1 1 39 39 TYR N N 39 122.581 122.581 121.832 0.749 25753
677 1 3 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.672 -0.060 25753
678 1 3 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.270 0.530 25753
679 1 3 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.762 0.338 25753
680 1 3 . 1 1 39 39 TYR H H 39 8.683 8.683 8.698 -0.015 25753
681 1 3 . 1 1 40 40 LYS N N 40 126.022 126.022 125.668 0.354 25753
682 1 3 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753
683 1 3 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.394 0.306 25753
684 1 3 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.093 -1.293 25753
685 1 3 . 1 1 40 40 LYS H H 40 8.319 8.319 8.412 -0.093 25753
686 1 3 . 1 1 41 41 GLU N N 41 120.017 120.017 117.845 2.172 25753
687 1 3 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.083 0.044 25753
688 1 3 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.028 -1.228 25753
689 1 3 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.052 0.011 25753
690 1 3 . 1 1 41 41 GLU H H 41 8.657 8.657 8.503 0.154 25753
691 1 3 . 1 1 42 42 LYS N N 42 116.887 116.887 121.258 -4.371 25753
692 1 3 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.265 -0.473 25753
693 1 3 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.024 -0.324 25753
694 1 3 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.517 -1.717 25753
695 1 3 . 1 1 42 42 LYS H H 42 8.468 8.468 8.310 0.158 25753
696 1 3 . 1 1 43 43 ARG N N 43 115.559 115.559 116.730 -1.171 25753
697 1 3 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.473 -0.247 25753
698 1 3 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.886 0.114 25753
699 1 3 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.630 -0.830 25753
700 1 3 . 1 1 43 43 ARG H H 43 8.165 8.165 8.106 0.059 25753
701 1 3 . 1 1 44 44 ASN N N 44 117.868 117.868 119.641 -1.773 25753
702 1 3 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.637 0.244 25753
703 1 3 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.967 -1.567 25753
704 1 3 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.159 0.041 25753
705 1 3 . 1 1 44 44 ASN H H 44 7.983 7.983 7.890 0.093 25753
706 1 3 . 1 1 45 45 LEU N N 45 125.712 125.712 121.261 4.451 25753
707 1 3 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.641 -0.335 25753
708 1 3 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.715 1.385 25753
709 1 3 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.797 -2.731 25753
710 1 3 . 1 1 45 45 LEU H H 45 8.193 8.193 8.401 -0.208 25753
711 1 3 . 1 1 46 46 GLN N N 46 120.613 120.613 119.456 1.157 25753
712 1 3 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.678 -0.013 25753
713 1 3 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.408 -0.408 25753
714 1 3 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.979 -1.018 25753
715 1 3 . 1 1 46 46 GLN H H 46 8.425 8.425 8.702 -0.277 25753
716 1 3 . 1 1 47 47 CYS N N 47 122.193 122.193 121.045 1.148 25753
717 1 3 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.008 -0.205 25753
718 1 3 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.610 -3.910 25753
719 1 3 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.919 10.081 25753
720 1 3 . 1 1 47 47 CYS H H 47 9.198 9.198 8.955 0.243 25753
721 1 3 . 1 1 48 48 ILE N N 48 129.093 129.093 125.549 3.544 25753
722 1 3 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.701 -0.401 25753
723 1 3 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.707 0.493 25753
724 1 3 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.701 -2.601 25753
725 1 3 . 1 1 48 48 ILE H H 48 8.696 8.696 9.052 -0.356 25753
726 1 3 . 1 1 49 49 CYS N N 49 126.279 126.279 124.293 1.986 25753
727 1 3 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.487 0.780 25753
728 1 3 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.959 -7.572 25753
729 1 3 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.396 6.151 25753
730 1 3 . 1 1 49 49 CYS H H 49 8.555 8.555 8.920 -0.365 25753
731 1 3 . 1 1 50 50 ASP N N 50 122.491 122.491 119.632 2.859 25753
732 1 3 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.851 0.612 25753
733 1 3 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.657 -1.557 25753
734 1 3 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.632 -1.586 25753
735 1 3 . 1 1 50 50 ASP H H 50 8.813 8.813 8.397 0.416 25753
736 1 3 . 1 1 51 51 TYR N N 51 124.921 124.921 121.008 3.913 25753
737 1 3 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.834 -0.634 25753
738 1 3 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.211 1.889 25753
739 1 3 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.928 -0.428 25753
740 1 3 . 1 1 51 51 TYR H H 51 9.633 9.633 8.545 1.088 25753
741 1 3 . 1 1 52 52 CYS N N 52 120.435 120.435 117.402 3.033 25753
742 1 3 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.737 -0.323 25753
743 1 3 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.181 -3.381 25753
744 1 3 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.380 12.620 25753
745 1 3 . 1 1 52 52 CYS H H 52 9.550 9.550 8.913 0.637 25753
746 1 3 . 1 1 53 53 GLU N N 53 120.972 120.972 119.899 1.073 25753
747 1 3 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.456 -0.209 25753
748 1 3 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.825 -0.525 25753
749 1 3 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.053 1.020 25753
750 1 3 . 1 1 53 53 GLU H H 53 8.335 8.335 8.187 0.148 25753
751 1 4 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.310 -0.040 25753
752 1 4 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.597 -0.386 25753
753 1 4 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.827 -0.505 25753
754 1 4 . 1 1 3 3 LYS H H 3 8.214 8.214 8.541 -0.327 25753
755 1 4 . 1 1 4 4 CYS N N 4 116.570 116.570 116.454 0.116 25753
756 1 4 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.322 0.372 25753
757 1 4 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.750 -2.978 25753
758 1 4 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.756 14.844 25753
759 1 4 . 1 1 4 4 CYS H H 4 8.430 8.430 8.352 0.078 25753
760 1 4 . 1 1 5 5 LYS N N 5 118.500 118.500 119.202 -0.702 25753
761 1 4 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.450 1.052 25753
762 1 4 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.157 -1.591 25753
763 1 4 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.712 0.588 25753
764 1 4 . 1 1 5 5 LYS H H 5 7.965 7.965 7.749 0.216 25753
765 1 4 . 1 1 6 6 LYS N N 6 121.002 121.002 121.636 -0.634 25753
766 1 4 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.548 0.165 25753
767 1 4 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.247 -0.247 25753
768 1 4 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.596 0.977 25753
769 1 4 . 1 1 6 6 LYS H H 6 8.980 8.980 7.963 1.017 25753
770 1 4 . 1 1 7 7 VAL N N 7 127.157 127.157 124.002 3.155 25753
771 1 4 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.919 -0.006 25753
772 1 4 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.604 0.796 25753
773 1 4 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.870 -0.206 25753
774 1 4 . 1 1 7 7 VAL H H 7 8.756 8.756 8.460 0.296 25753
775 1 4 . 1 1 8 8 TYR N N 8 129.707 129.707 129.317 0.390 25753
776 1 4 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.360 0.023 25753
777 1 4 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.773 -3.623 25753
778 1 4 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.689 -4.068 25753
779 1 4 . 1 1 8 8 TYR H H 8 9.160 9.160 8.210 0.950 25753
780 1 4 . 1 1 9 9 GLU N N 9 130.601 130.601 122.995 7.606 25753
781 1 4 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.071 0.049 25753
782 1 4 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.828 -0.930 25753
783 1 4 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.068 -1.055 25753
784 1 4 . 1 1 9 9 GLU H H 9 8.964 8.964 8.938 0.026 25753
785 1 4 . 1 1 10 10 ASN N N 10 115.766 115.766 113.752 2.014 25753
786 1 4 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.817 -0.452 25753
787 1 4 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.392 0.808 25753
788 1 4 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.598 -1.638 25753
789 1 4 . 1 1 10 10 ASN H H 10 9.232 9.232 8.246 0.986 25753
790 1 4 . 1 1 11 11 TYR N N 11 122.267 122.267 121.920 0.347 25753
791 1 4 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.765 -0.630 25753
792 1 4 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.837 2.110 25753
793 1 4 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.752 -0.646 25753
794 1 4 . 1 1 11 11 TYR H H 11 7.473 7.473 8.267 -0.794 25753
795 1 4 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.547 -0.115 25753
796 1 4 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.853 -1.006 25753
797 1 4 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.504 -2.254 25753
798 1 4 . 1 1 13 13 VAL N N 13 123.595 123.595 125.372 -1.777 25753
799 1 4 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.683 0.071 25753
800 1 4 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.630 0.870 25753
801 1 4 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.864 -0.753 25753
802 1 4 . 1 1 13 13 VAL H H 13 8.102 8.102 8.559 -0.457 25753
803 1 4 . 1 1 14 14 SER N N 14 116.945 116.945 114.784 2.161 25753
804 1 4 . 1 1 14 14 SER HA H 14 4.119 4.119 4.253 -0.134 25753
805 1 4 . 1 1 14 14 SER CA C 14 61.050 61.050 61.376 -0.326 25753
806 1 4 . 1 1 14 14 SER CB C 14 61.239 61.239 62.708 -1.469 25753
807 1 4 . 1 1 14 14 SER H H 14 8.387 8.387 8.283 0.104 25753
808 1 4 . 1 1 15 15 LYS N N 15 121.073 121.073 122.082 -1.009 25753
809 1 4 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.156 -0.087 25753
810 1 4 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.717 0.583 25753
811 1 4 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.097 -0.862 25753
812 1 4 . 1 1 15 15 LYS H H 15 7.821 7.821 7.921 -0.100 25753
813 1 4 . 1 1 16 16 CYS N N 16 115.469 115.469 118.694 -3.225 25753
814 1 4 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.281 0.455 25753
815 1 4 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.144 -3.344 25753
816 1 4 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.897 14.357 25753
817 1 4 . 1 1 16 16 CYS H H 16 7.844 7.844 7.690 0.154 25753
818 1 4 . 1 1 17 17 GLN N N 17 115.128 115.128 117.259 -2.131 25753
819 1 4 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.039 0.174 25753
820 1 4 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.586 -1.486 25753
821 1 4 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.968 -0.368 25753
822 1 4 . 1 1 17 17 GLN H H 17 7.381 7.381 7.539 -0.158 25753
823 1 4 . 1 1 18 18 LEU N N 18 120.972 120.972 119.942 1.030 25753
824 1 4 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.620 -0.114 25753
825 1 4 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.208 0.092 25753
826 1 4 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.205 -0.111 25753
827 1 4 . 1 1 18 18 LEU H H 18 7.286 7.286 7.913 -0.627 25753
828 1 4 . 1 1 19 19 ALA N N 19 127.694 127.694 128.891 -1.197 25753
829 1 4 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.995 0.120 25753
830 1 4 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.428 -1.828 25753
831 1 4 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.526 -0.627 25753
832 1 4 . 1 1 19 19 ALA H H 19 8.556 8.556 8.985 -0.429 25753
833 1 4 . 1 1 20 20 ASN N N 20 116.006 116.006 115.026 0.980 25753
834 1 4 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.492 0.136 25753
835 1 4 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.937 -1.237 25753
836 1 4 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.993 1.000 25753
837 1 4 . 1 1 20 20 ASN H H 20 9.044 9.044 8.764 0.280 25753
838 1 4 . 1 1 21 21 GLN N N 21 122.731 122.731 120.873 1.858 25753
839 1 4 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.326 -0.495 25753
840 1 4 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.176 0.024 25753
841 1 4 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.986 0.104 25753
842 1 4 . 1 1 21 21 GLN H H 21 7.662 7.662 7.800 -0.138 25753
843 1 4 . 1 1 22 22 CYS N N 22 118.925 118.925 119.955 -1.030 25753
844 1 4 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.173 0.090 25753
845 1 4 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.795 -5.695 25753
846 1 4 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.447 12.053 25753
847 1 4 . 1 1 22 22 CYS H H 22 8.475 8.475 7.943 0.532 25753
848 1 4 . 1 1 23 23 ASN N N 23 118.714 118.714 118.064 0.650 25753
849 1 4 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.446 -0.640 25753
850 1 4 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.157 0.242 25753
851 1 4 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.504 0.527 25753
852 1 4 . 1 1 23 23 ASN H H 23 7.972 7.972 8.231 -0.259 25753
853 1 4 . 1 1 24 24 TYR N N 24 117.828 117.828 120.058 -2.230 25753
854 1 4 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.158 -0.244 25753
855 1 4 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.456 -0.256 25753
856 1 4 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.433 -0.350 25753
857 1 4 . 1 1 24 24 TYR H H 24 8.107 8.107 7.809 0.298 25753
858 1 4 . 1 1 25 25 ASP N N 25 119.620 119.620 117.223 2.397 25753
859 1 4 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.406 0.223 25753
860 1 4 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.711 0.689 25753
861 1 4 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.960 -1.660 25753
862 1 4 . 1 1 25 25 ASP H H 25 9.064 9.064 8.417 0.647 25753
863 1 4 . 1 1 26 26 CYS N N 26 120.031 120.031 120.453 -0.422 25753
864 1 4 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.250 -0.145 25753
865 1 4 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.672 -1.472 25753
866 1 4 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.529 10.071 25753
867 1 4 . 1 1 26 26 CYS H H 26 9.280 9.280 8.392 0.888 25753
868 1 4 . 1 1 27 27 LYS N N 27 119.838 119.838 119.062 0.776 25753
869 1 4 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.286 -0.182 25753
870 1 4 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.131 1.169 25753
871 1 4 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.078 0.122 25753
872 1 4 . 1 1 27 27 LYS H H 27 7.646 7.646 8.427 -0.781 25753
873 1 4 . 1 1 28 28 LEU N N 28 119.791 119.791 120.310 -0.519 25753
874 1 4 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.340 -0.305 25753
875 1 4 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.790 -0.590 25753
876 1 4 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.670 -0.678 25753
877 1 4 . 1 1 28 28 LEU H H 28 8.257 8.257 7.836 0.421 25753
878 1 4 . 1 1 29 29 ASP N N 29 116.737 116.737 119.574 -2.837 25753
879 1 4 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.619 -0.143 25753
880 1 4 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.380 -0.783 25753
881 1 4 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.634 -1.334 25753
882 1 4 . 1 1 29 29 ASP H H 29 8.977 8.977 8.588 0.389 25753
883 1 4 . 1 1 30 30 LYS N N 30 111.907 111.907 116.817 -4.910 25753
884 1 4 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.311 0.170 25753
885 1 4 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.163 -3.184 25753
886 1 4 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.069 -1.585 25753
887 1 4 . 1 1 30 30 LYS H H 30 6.618 6.618 7.841 -1.223 25753
888 1 4 . 1 1 31 31 HIS N N 31 112.966 112.966 116.410 -3.444 25753
889 1 4 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.281 0.261 25753
890 1 4 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.582 -0.682 25753
891 1 4 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.954 -2.487 25753
892 1 4 . 1 1 31 31 HIS H H 31 7.013 7.013 7.866 -0.853 25753
893 1 4 . 1 1 32 32 ALA N N 32 120.001 120.001 118.946 1.055 25753
894 1 4 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.983 0.072 25753
895 1 4 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.446 -1.046 25753
896 1 4 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.656 -0.756 25753
897 1 4 . 1 1 32 32 ALA H H 32 7.644 7.644 7.260 0.384 25753
898 1 4 . 1 1 33 33 ARG N N 33 116.588 116.588 120.660 -4.072 25753
899 1 4 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.929 0.208 25753
900 1 4 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.964 -1.066 25753
901 1 4 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.617 -0.230 25753
902 1 4 . 1 1 33 33 ARG H H 33 8.254 8.254 8.332 -0.078 25753
903 1 4 . 1 1 34 34 SER N N 34 109.178 109.178 109.096 0.082 25753
904 1 4 . 1 1 34 34 SER HA H 34 4.593 4.593 4.931 -0.338 25753
905 1 4 . 1 1 34 34 SER CA C 34 57.500 57.500 57.314 0.186 25753
906 1 4 . 1 1 34 34 SER CB C 34 64.825 64.825 67.511 -2.686 25753
907 1 4 . 1 1 34 34 SER H H 34 7.989 7.989 7.510 0.479 25753
908 1 4 . 1 1 35 35 GLY N N 35 107.345 107.345 106.922 0.423 25753
909 1 4 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.940 0.760 25753
910 1 4 . 1 1 35 35 GLY H H 35 8.633 8.633 8.448 0.185 25753
911 1 4 . 1 1 36 36 GLU N N 36 118.288 118.288 122.189 -3.901 25753
912 1 4 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.782 -0.490 25753
913 1 4 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.578 1.622 25753
914 1 4 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.231 -0.567 25753
915 1 4 . 1 1 36 36 GLU H H 36 8.236 8.236 8.664 -0.428 25753
916 1 4 . 1 1 37 37 CYS N N 37 120.776 120.776 118.946 1.830 25753
917 1 4 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.141 0.862 25753
918 1 4 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.315 -2.115 25753
919 1 4 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.281 17.419 25753
920 1 4 . 1 1 37 37 CYS H H 37 8.856 8.856 8.644 0.212 25753
921 1 4 . 1 1 38 38 PHE N N 38 121.520 121.520 121.869 -0.349 25753
922 1 4 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.771 -0.084 25753
923 1 4 . 1 1 38 38 PHE CA C 38 56.500 56.500 56.079 0.421 25753
924 1 4 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.919 0.094 25753
925 1 4 . 1 1 38 38 PHE H H 38 9.082 9.082 9.164 -0.082 25753
926 1 4 . 1 1 39 39 TYR N N 39 122.581 122.581 122.269 0.312 25753
927 1 4 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.717 -0.105 25753
928 1 4 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.255 0.545 25753
929 1 4 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.956 0.144 25753
930 1 4 . 1 1 39 39 TYR H H 39 8.683 8.683 8.629 0.054 25753
931 1 4 . 1 1 40 40 LYS N N 40 126.022 126.022 125.055 0.967 25753
932 1 4 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.609 -0.290 25753
933 1 4 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.832 0.868 25753
934 1 4 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.296 -1.496 25753
935 1 4 . 1 1 40 40 LYS H H 40 8.319 8.319 8.447 -0.128 25753
936 1 4 . 1 1 41 41 GLU N N 41 120.017 120.017 118.798 1.219 25753
937 1 4 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.105 0.022 25753
938 1 4 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.210 -1.410 25753
939 1 4 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.920 -0.857 25753
940 1 4 . 1 1 41 41 GLU H H 41 8.657 8.657 8.587 0.070 25753
941 1 4 . 1 1 42 42 LYS N N 42 116.887 116.887 120.040 -3.153 25753
942 1 4 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.157 -0.365 25753
943 1 4 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.383 -0.683 25753
944 1 4 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.502 -1.702 25753
945 1 4 . 1 1 42 42 LYS H H 42 8.468 8.468 8.487 -0.019 25753
946 1 4 . 1 1 43 43 ARG N N 43 115.559 115.559 115.912 -0.353 25753
947 1 4 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.445 -0.219 25753
948 1 4 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.873 0.127 25753
949 1 4 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.133 -1.333 25753
950 1 4 . 1 1 43 43 ARG H H 43 8.165 8.165 8.241 -0.076 25753
951 1 4 . 1 1 44 44 ASN N N 44 117.868 117.868 119.442 -1.574 25753
952 1 4 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.632 0.249 25753
953 1 4 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.869 -1.469 25753
954 1 4 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.074 0.126 25753
955 1 4 . 1 1 44 44 ASN H H 44 7.983 7.983 7.957 0.026 25753
956 1 4 . 1 1 45 45 LEU N N 45 125.712 125.712 120.984 4.728 25753
957 1 4 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.588 -0.282 25753
958 1 4 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.832 1.268 25753
959 1 4 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.671 -2.604 25753
960 1 4 . 1 1 45 45 LEU H H 45 8.193 8.193 8.317 -0.124 25753
961 1 4 . 1 1 46 46 GLN N N 46 120.613 120.613 119.376 1.237 25753
962 1 4 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.688 -0.023 25753
963 1 4 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.196 -0.196 25753
964 1 4 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.089 -1.128 25753
965 1 4 . 1 1 46 46 GLN H H 46 8.425 8.425 8.706 -0.281 25753
966 1 4 . 1 1 47 47 CYS N N 47 122.193 122.193 121.086 1.107 25753
967 1 4 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.904 -0.101 25753
968 1 4 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.652 -3.952 25753
969 1 4 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.874 10.126 25753
970 1 4 . 1 1 47 47 CYS H H 47 9.198 9.198 8.963 0.235 25753
971 1 4 . 1 1 48 48 ILE N N 48 129.093 129.093 125.743 3.350 25753
972 1 4 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.707 -0.407 25753
973 1 4 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.806 0.394 25753
974 1 4 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.702 -2.602 25753
975 1 4 . 1 1 48 48 ILE H H 48 8.696 8.696 8.950 -0.254 25753
976 1 4 . 1 1 49 49 CYS N N 49 126.279 126.279 124.326 1.953 25753
977 1 4 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.471 0.796 25753
978 1 4 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.890 -7.503 25753
979 1 4 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.338 6.209 25753
980 1 4 . 1 1 49 49 CYS H H 49 8.555 8.555 8.930 -0.375 25753
981 1 4 . 1 1 50 50 ASP N N 50 122.491 122.491 119.606 2.885 25753
982 1 4 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.844 0.619 25753
983 1 4 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.695 -1.595 25753
984 1 4 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.643 -1.597 25753
985 1 4 . 1 1 50 50 ASP H H 50 8.813 8.813 8.377 0.436 25753
986 1 4 . 1 1 51 51 TYR N N 51 124.921 124.921 121.240 3.681 25753
987 1 4 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.663 -0.463 25753
988 1 4 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.984 1.116 25753
989 1 4 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.864 -0.364 25753
990 1 4 . 1 1 51 51 TYR H H 51 9.633 9.633 8.563 1.070 25753
991 1 4 . 1 1 52 52 CYS N N 52 120.435 120.435 117.378 3.057 25753
992 1 4 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.725 -0.311 25753
993 1 4 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.217 -3.417 25753
994 1 4 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.543 12.457 25753
995 1 4 . 1 1 52 52 CYS H H 52 9.550 9.550 9.109 0.441 25753
996 1 4 . 1 1 53 53 GLU N N 53 120.972 120.972 119.451 1.521 25753
997 1 4 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.443 -0.196 25753
998 1 4 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.165 -0.865 25753
999 1 4 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.742 0.331 25753
1000 1 4 . 1 1 53 53 GLU H H 53 8.335 8.335 8.298 0.037 25753
1001 1 5 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.268 0.002 25753
1002 1 5 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.797 0.414 25753
1003 1 5 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.188 0.134 25753
1004 1 5 . 1 1 3 3 LYS H H 3 8.214 8.214 7.802 0.412 25753
1005 1 5 . 1 1 4 4 CYS N N 4 116.570 116.570 118.903 -2.333 25753
1006 1 5 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.374 0.320 25753
1007 1 5 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.804 -3.033 25753
1008 1 5 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.560 15.040 25753
1009 1 5 . 1 1 4 4 CYS H H 4 8.430 8.430 8.305 0.125 25753
1010 1 5 . 1 1 5 5 LYS N N 5 118.500 118.500 118.539 -0.039 25753
1011 1 5 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.481 1.021 25753
1012 1 5 . 1 1 5 5 LYS CA C 5 54.566 54.566 55.982 -1.416 25753
1013 1 5 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.524 0.776 25753
1014 1 5 . 1 1 5 5 LYS H H 5 7.965 7.965 7.718 0.247 25753
1015 1 5 . 1 1 6 6 LYS N N 6 121.002 121.002 121.733 -0.731 25753
1016 1 5 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.524 0.189 25753
1017 1 5 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.151 -0.151 25753
1018 1 5 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.547 1.026 25753
1019 1 5 . 1 1 6 6 LYS H H 6 8.980 8.980 8.002 0.978 25753
1020 1 5 . 1 1 7 7 VAL N N 7 127.157 127.157 124.129 3.028 25753
1021 1 5 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.905 0.008 25753
1022 1 5 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.372 1.028 25753
1023 1 5 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.791 -0.127 25753
1024 1 5 . 1 1 7 7 VAL H H 7 8.756 8.756 8.564 0.192 25753
1025 1 5 . 1 1 8 8 TYR N N 8 129.707 129.707 129.804 -0.097 25753
1026 1 5 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.307 0.076 25753
1027 1 5 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.736 -3.586 25753
1028 1 5 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.559 -3.938 25753
1029 1 5 . 1 1 8 8 TYR H H 8 9.160 9.160 8.256 0.904 25753
1030 1 5 . 1 1 9 9 GLU N N 9 130.601 130.601 123.012 7.589 25753
1031 1 5 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.099 0.021 25753
1032 1 5 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.697 -0.799 25753
1033 1 5 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.955 -0.942 25753
1034 1 5 . 1 1 9 9 GLU H H 9 8.964 8.964 8.839 0.125 25753
1035 1 5 . 1 1 10 10 ASN N N 10 115.766 115.766 114.640 1.126 25753
1036 1 5 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.828 -0.463 25753
1037 1 5 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.174 1.026 25753
1038 1 5 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.789 -1.829 25753
1039 1 5 . 1 1 10 10 ASN H H 10 9.232 9.232 8.341 0.891 25753
1040 1 5 . 1 1 11 11 TYR N N 11 122.267 122.267 122.774 -0.507 25753
1041 1 5 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.772 -0.637 25753
1042 1 5 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.968 1.980 25753
1043 1 5 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.601 -0.496 25753
1044 1 5 . 1 1 11 11 TYR H H 11 7.473 7.473 8.330 -0.857 25753
1045 1 5 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.591 -0.159 25753
1046 1 5 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.824 -0.977 25753
1047 1 5 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.714 -2.464 25753
1048 1 5 . 1 1 13 13 VAL N N 13 123.595 123.595 125.997 -2.402 25753
1049 1 5 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.646 0.108 25753
1050 1 5 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.164 0.336 25753
1051 1 5 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.872 -0.761 25753
1052 1 5 . 1 1 13 13 VAL H H 13 8.102 8.102 8.532 -0.430 25753
1053 1 5 . 1 1 14 14 SER N N 14 116.945 116.945 115.084 1.861 25753
1054 1 5 . 1 1 14 14 SER HA H 14 4.119 4.119 4.254 -0.135 25753
1055 1 5 . 1 1 14 14 SER CA C 14 61.050 61.050 61.152 -0.102 25753
1056 1 5 . 1 1 14 14 SER CB C 14 61.239 61.239 62.816 -1.577 25753
1057 1 5 . 1 1 14 14 SER H H 14 8.387 8.387 8.291 0.096 25753
1058 1 5 . 1 1 15 15 LYS N N 15 121.073 121.073 122.017 -0.944 25753
1059 1 5 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.186 -0.117 25753
1060 1 5 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.780 0.520 25753
1061 1 5 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.240 -1.005 25753
1062 1 5 . 1 1 15 15 LYS H H 15 7.821 7.821 7.711 0.110 25753
1063 1 5 . 1 1 16 16 CYS N N 16 115.469 115.469 118.776 -3.307 25753
1064 1 5 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.273 0.463 25753
1065 1 5 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.167 -3.367 25753
1066 1 5 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.983 14.271 25753
1067 1 5 . 1 1 16 16 CYS H H 16 7.844 7.844 7.662 0.182 25753
1068 1 5 . 1 1 17 17 GLN N N 17 115.128 115.128 117.260 -2.132 25753
1069 1 5 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.045 0.168 25753
1070 1 5 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.623 -1.523 25753
1071 1 5 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.945 -0.345 25753
1072 1 5 . 1 1 17 17 GLN H H 17 7.381 7.381 7.723 -0.342 25753
1073 1 5 . 1 1 18 18 LEU N N 18 120.972 120.972 119.996 0.976 25753
1074 1 5 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.628 -0.122 25753
1075 1 5 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.179 0.121 25753
1076 1 5 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.160 -0.066 25753
1077 1 5 . 1 1 18 18 LEU H H 18 7.286 7.286 7.933 -0.647 25753
1078 1 5 . 1 1 19 19 ALA N N 19 127.694 127.694 128.905 -1.211 25753
1079 1 5 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.982 0.133 25753
1080 1 5 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.438 -1.839 25753
1081 1 5 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.518 -0.618 25753
1082 1 5 . 1 1 19 19 ALA H H 19 8.556 8.556 8.980 -0.424 25753
1083 1 5 . 1 1 20 20 ASN N N 20 116.006 116.006 114.911 1.095 25753
1084 1 5 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.489 0.139 25753
1085 1 5 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.931 -1.231 25753
1086 1 5 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.983 1.010 25753
1087 1 5 . 1 1 20 20 ASN H H 20 9.044 9.044 8.748 0.296 25753
1088 1 5 . 1 1 21 21 GLN N N 21 122.731 122.731 120.876 1.855 25753
1089 1 5 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.321 -0.490 25753
1090 1 5 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.148 0.052 25753
1091 1 5 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.002 0.088 25753
1092 1 5 . 1 1 21 21 GLN H H 21 7.662 7.662 7.844 -0.182 25753
1093 1 5 . 1 1 22 22 CYS N N 22 118.925 118.925 120.026 -1.101 25753
1094 1 5 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.139 0.124 25753
1095 1 5 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.830 -5.730 25753
1096 1 5 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.459 12.041 25753
1097 1 5 . 1 1 22 22 CYS H H 22 8.475 8.475 7.961 0.514 25753
1098 1 5 . 1 1 23 23 ASN N N 23 118.714 118.714 117.953 0.761 25753
1099 1 5 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.422 -0.616 25753
1100 1 5 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.184 0.216 25753
1101 1 5 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.486 0.545 25753
1102 1 5 . 1 1 23 23 ASN H H 23 7.972 7.972 8.150 -0.178 25753
1103 1 5 . 1 1 24 24 TYR N N 24 117.828 117.828 120.034 -2.206 25753
1104 1 5 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.107 -0.193 25753
1105 1 5 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.437 -0.237 25753
1106 1 5 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.387 -0.304 25753
1107 1 5 . 1 1 24 24 TYR H H 24 8.107 8.107 7.766 0.341 25753
1108 1 5 . 1 1 25 25 ASP N N 25 119.620 119.620 117.141 2.479 25753
1109 1 5 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.390 0.239 25753
1110 1 5 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.708 0.692 25753
1111 1 5 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.946 -1.645 25753
1112 1 5 . 1 1 25 25 ASP H H 25 9.064 9.064 8.402 0.662 25753
1113 1 5 . 1 1 26 26 CYS N N 26 120.031 120.031 120.498 -0.467 25753
1114 1 5 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753
1115 1 5 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.633 -1.433 25753
1116 1 5 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.524 10.076 25753
1117 1 5 . 1 1 26 26 CYS H H 26 9.280 9.280 8.371 0.909 25753
1118 1 5 . 1 1 27 27 LYS N N 27 119.838 119.838 119.009 0.829 25753
1119 1 5 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.202 -0.098 25753
1120 1 5 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.987 1.313 25753
1121 1 5 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.998 0.202 25753
1122 1 5 . 1 1 27 27 LYS H H 27 7.646 7.646 8.458 -0.812 25753
1123 1 5 . 1 1 28 28 LEU N N 28 119.791 119.791 121.155 -1.364 25753
1124 1 5 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.187 -0.152 25753
1125 1 5 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.658 -0.458 25753
1126 1 5 . 1 1 28 28 LEU CB C 28 41.992 41.992 43.003 -1.011 25753
1127 1 5 . 1 1 28 28 LEU H H 28 8.257 8.257 7.834 0.423 25753
1128 1 5 . 1 1 29 29 ASP N N 29 116.737 116.737 119.475 -2.738 25753
1129 1 5 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.645 -0.169 25753
1130 1 5 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.384 -0.787 25753
1131 1 5 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.584 -1.284 25753
1132 1 5 . 1 1 29 29 ASP H H 29 8.977 8.977 8.562 0.415 25753
1133 1 5 . 1 1 30 30 LYS N N 30 111.907 111.907 116.477 -4.570 25753
1134 1 5 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.317 0.164 25753
1135 1 5 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.323 -3.344 25753
1136 1 5 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.129 -1.645 25753
1137 1 5 . 1 1 30 30 LYS H H 30 6.618 6.618 7.792 -1.174 25753
1138 1 5 . 1 1 31 31 HIS N N 31 112.966 112.966 115.955 -2.989 25753
1139 1 5 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.292 0.250 25753
1140 1 5 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.923 -1.023 25753
1141 1 5 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.296 -2.829 25753
1142 1 5 . 1 1 31 31 HIS H H 31 7.013 7.013 7.855 -0.842 25753
1143 1 5 . 1 1 32 32 ALA N N 32 120.001 120.001 119.886 0.115 25753
1144 1 5 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.999 0.056 25753
1145 1 5 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.731 -1.331 25753
1146 1 5 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.648 -0.748 25753
1147 1 5 . 1 1 32 32 ALA H H 32 7.644 7.644 7.289 0.355 25753
1148 1 5 . 1 1 33 33 ARG N N 33 116.588 116.588 121.130 -4.542 25753
1149 1 5 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.997 0.140 25753
1150 1 5 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.896 -0.998 25753
1151 1 5 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.663 -0.276 25753
1152 1 5 . 1 1 33 33 ARG H H 33 8.254 8.254 8.283 -0.029 25753
1153 1 5 . 1 1 34 34 SER N N 34 109.178 109.178 108.816 0.362 25753
1154 1 5 . 1 1 34 34 SER HA H 34 4.593 4.593 4.630 -0.037 25753
1155 1 5 . 1 1 34 34 SER CA C 34 57.500 57.500 57.429 0.071 25753
1156 1 5 . 1 1 34 34 SER CB C 34 64.825 64.825 66.493 -1.668 25753
1157 1 5 . 1 1 34 34 SER H H 34 7.989 7.989 7.623 0.366 25753
1158 1 5 . 1 1 35 35 GLY N N 35 107.345 107.345 106.758 0.587 25753
1159 1 5 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.800 0.900 25753
1160 1 5 . 1 1 35 35 GLY H H 35 8.633 8.633 8.722 -0.089 25753
1161 1 5 . 1 1 36 36 GLU N N 36 118.288 118.288 121.926 -3.638 25753
1162 1 5 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.834 -0.542 25753
1163 1 5 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.644 0.556 25753
1164 1 5 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.788 -2.124 25753
1165 1 5 . 1 1 36 36 GLU H H 36 8.236 8.236 9.143 -0.907 25753
1166 1 5 . 1 1 37 37 CYS N N 37 120.776 120.776 118.957 1.819 25753
1167 1 5 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.160 0.843 25753
1168 1 5 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.484 -2.284 25753
1169 1 5 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.557 17.143 25753
1170 1 5 . 1 1 37 37 CYS H H 37 8.856 8.856 8.655 0.201 25753
1171 1 5 . 1 1 38 38 PHE N N 38 121.520 121.520 121.779 -0.259 25753
1172 1 5 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.853 -0.166 25753
1173 1 5 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.743 0.757 25753
1174 1 5 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.538 0.475 25753
1175 1 5 . 1 1 38 38 PHE H H 38 9.082 9.082 9.218 -0.136 25753
1176 1 5 . 1 1 39 39 TYR N N 39 122.581 122.581 122.179 0.402 25753
1177 1 5 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.710 -0.098 25753
1178 1 5 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.258 0.542 25753
1179 1 5 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.939 0.161 25753
1180 1 5 . 1 1 39 39 TYR H H 39 8.683 8.683 8.622 0.061 25753
1181 1 5 . 1 1 40 40 LYS N N 40 126.022 126.022 125.351 0.671 25753
1182 1 5 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.573 -0.254 25753
1183 1 5 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.118 0.582 25753
1184 1 5 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.145 -1.345 25753
1185 1 5 . 1 1 40 40 LYS H H 40 8.319 8.319 8.452 -0.133 25753
1186 1 5 . 1 1 41 41 GLU N N 41 120.017 120.017 117.721 2.296 25753
1187 1 5 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.099 0.028 25753
1188 1 5 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.025 -1.225 25753
1189 1 5 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.962 0.101 25753
1190 1 5 . 1 1 41 41 GLU H H 41 8.657 8.657 8.519 0.138 25753
1191 1 5 . 1 1 42 42 LYS N N 42 116.887 116.887 121.228 -4.341 25753
1192 1 5 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.186 -0.394 25753
1193 1 5 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.182 -0.482 25753
1194 1 5 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.579 -1.779 25753
1195 1 5 . 1 1 42 42 LYS H H 42 8.468 8.468 8.294 0.174 25753
1196 1 5 . 1 1 43 43 ARG N N 43 115.559 115.559 116.516 -0.957 25753
1197 1 5 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.409 -0.183 25753
1198 1 5 . 1 1 43 43 ARG CA C 43 56.000 56.000 56.008 -0.008 25753
1199 1 5 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.014 -1.214 25753
1200 1 5 . 1 1 43 43 ARG H H 43 8.165 8.165 8.125 0.040 25753
1201 1 5 . 1 1 44 44 ASN N N 44 117.868 117.868 119.544 -1.676 25753
1202 1 5 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.649 0.232 25753
1203 1 5 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.790 -1.390 25753
1204 1 5 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.188 0.012 25753
1205 1 5 . 1 1 44 44 ASN H H 44 7.983 7.983 7.853 0.130 25753
1206 1 5 . 1 1 45 45 LEU N N 45 125.712 125.712 121.113 4.599 25753
1207 1 5 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.642 -0.336 25753
1208 1 5 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.724 1.376 25753
1209 1 5 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.836 -2.769 25753
1210 1 5 . 1 1 45 45 LEU H H 45 8.193 8.193 8.394 -0.201 25753
1211 1 5 . 1 1 46 46 GLN N N 46 120.613 120.613 119.458 1.155 25753
1212 1 5 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753
1213 1 5 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.160 -0.160 25753
1214 1 5 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.060 -1.099 25753
1215 1 5 . 1 1 46 46 GLN H H 46 8.425 8.425 8.720 -0.295 25753
1216 1 5 . 1 1 47 47 CYS N N 47 122.193 122.193 121.006 1.187 25753
1217 1 5 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.006 -0.203 25753
1218 1 5 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.627 -3.927 25753
1219 1 5 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.927 10.073 25753
1220 1 5 . 1 1 47 47 CYS H H 47 9.198 9.198 8.949 0.249 25753
1221 1 5 . 1 1 48 48 ILE N N 48 129.093 129.093 125.476 3.617 25753
1222 1 5 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.685 -0.385 25753
1223 1 5 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.694 0.506 25753
1224 1 5 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.684 -2.584 25753
1225 1 5 . 1 1 48 48 ILE H H 48 8.696 8.696 9.039 -0.343 25753
1226 1 5 . 1 1 49 49 CYS N N 49 126.279 126.279 124.728 1.551 25753
1227 1 5 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.442 0.825 25753
1228 1 5 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.996 -7.609 25753
1229 1 5 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.288 6.259 25753
1230 1 5 . 1 1 49 49 CYS H H 49 8.555 8.555 8.950 -0.395 25753
1231 1 5 . 1 1 50 50 ASP N N 50 122.491 122.491 119.511 2.980 25753
1232 1 5 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.907 0.556 25753
1233 1 5 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.888 -1.788 25753
1234 1 5 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.441 -1.395 25753
1235 1 5 . 1 1 50 50 ASP H H 50 8.813 8.813 8.500 0.313 25753
1236 1 5 . 1 1 51 51 TYR N N 51 124.921 124.921 119.946 4.975 25753
1237 1 5 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.794 -0.594 25753
1238 1 5 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.572 1.528 25753
1239 1 5 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.189 -0.689 25753
1240 1 5 . 1 1 51 51 TYR H H 51 9.633 9.633 8.585 1.048 25753
1241 1 5 . 1 1 52 52 CYS N N 52 120.435 120.435 115.687 4.748 25753
1242 1 5 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.739 -0.325 25753
1243 1 5 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.457 -3.657 25753
1244 1 5 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.113 12.887 25753
1245 1 5 . 1 1 52 52 CYS H H 52 9.550 9.550 8.297 1.253 25753
1246 1 5 . 1 1 53 53 GLU N N 53 120.972 120.972 119.980 0.992 25753
1247 1 5 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.516 -0.269 25753
1248 1 5 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.991 -0.691 25753
1249 1 5 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.723 0.350 25753
1250 1 5 . 1 1 53 53 GLU H H 53 8.335 8.335 8.500 -0.165 25753
1251 1 6 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.252 0.018 25753
1252 1 6 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.515 -0.304 25753
1253 1 6 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.393 -1.071 25753
1254 1 6 . 1 1 3 3 LYS H H 3 8.214 8.214 8.380 -0.166 25753
1255 1 6 . 1 1 4 4 CYS N N 4 116.570 116.570 117.215 -0.645 25753
1256 1 6 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.314 0.380 25753
1257 1 6 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.348 -3.576 25753
1258 1 6 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.511 15.089 25753
1259 1 6 . 1 1 4 4 CYS H H 4 8.430 8.430 8.525 -0.095 25753
1260 1 6 . 1 1 5 5 LYS N N 5 118.500 118.500 117.918 0.582 25753
1261 1 6 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.525 0.977 25753
1262 1 6 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.135 -1.569 25753
1263 1 6 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.723 0.577 25753
1264 1 6 . 1 1 5 5 LYS H H 5 7.965 7.965 7.834 0.131 25753
1265 1 6 . 1 1 6 6 LYS N N 6 121.002 121.002 122.958 -1.956 25753
1266 1 6 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.500 0.213 25753
1267 1 6 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.147 -0.146 25753
1268 1 6 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.553 1.020 25753
1269 1 6 . 1 1 6 6 LYS H H 6 8.980 8.980 7.983 0.997 25753
1270 1 6 . 1 1 7 7 VAL N N 7 127.157 127.157 124.037 3.120 25753
1271 1 6 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.940 -0.027 25753
1272 1 6 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.543 1.857 25753
1273 1 6 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.716 -0.052 25753
1274 1 6 . 1 1 7 7 VAL H H 7 8.756 8.756 8.454 0.302 25753
1275 1 6 . 1 1 8 8 TYR N N 8 129.707 129.707 129.966 -0.259 25753
1276 1 6 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.354 0.029 25753
1277 1 6 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.843 -3.693 25753
1278 1 6 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.877 -4.256 25753
1279 1 6 . 1 1 8 8 TYR H H 8 9.160 9.160 8.264 0.896 25753
1280 1 6 . 1 1 9 9 GLU N N 9 130.601 130.601 123.066 7.535 25753
1281 1 6 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.077 0.043 25753
1282 1 6 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.999 -1.101 25753
1283 1 6 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.096 -1.083 25753
1284 1 6 . 1 1 9 9 GLU H H 9 8.964 8.964 8.915 0.049 25753
1285 1 6 . 1 1 10 10 ASN N N 10 115.766 115.766 113.333 2.433 25753
1286 1 6 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.806 -0.441 25753
1287 1 6 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.405 0.795 25753
1288 1 6 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.715 -1.755 25753
1289 1 6 . 1 1 10 10 ASN H H 10 9.232 9.232 8.263 0.969 25753
1290 1 6 . 1 1 11 11 TYR N N 11 122.267 122.267 121.958 0.309 25753
1291 1 6 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.769 -0.634 25753
1292 1 6 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.809 2.138 25753
1293 1 6 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.723 -0.618 25753
1294 1 6 . 1 1 11 11 TYR H H 11 7.473 7.473 8.288 -0.815 25753
1295 1 6 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.578 -0.146 25753
1296 1 6 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.781 -0.934 25753
1297 1 6 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.680 -2.430 25753
1298 1 6 . 1 1 13 13 VAL N N 13 123.595 123.595 125.468 -1.873 25753
1299 1 6 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.695 0.059 25753
1300 1 6 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.251 0.249 25753
1301 1 6 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.810 -0.699 25753
1302 1 6 . 1 1 13 13 VAL H H 13 8.102 8.102 8.592 -0.490 25753
1303 1 6 . 1 1 14 14 SER N N 14 116.945 116.945 115.501 1.444 25753
1304 1 6 . 1 1 14 14 SER HA H 14 4.119 4.119 4.284 -0.165 25753
1305 1 6 . 1 1 14 14 SER CA C 14 61.050 61.050 61.297 -0.247 25753
1306 1 6 . 1 1 14 14 SER CB C 14 61.239 61.239 63.014 -1.775 25753
1307 1 6 . 1 1 14 14 SER H H 14 8.387 8.387 8.194 0.193 25753
1308 1 6 . 1 1 15 15 LYS N N 15 121.073 121.073 121.965 -0.892 25753
1309 1 6 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.133 -0.064 25753
1310 1 6 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.757 0.543 25753
1311 1 6 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.139 -0.904 25753
1312 1 6 . 1 1 15 15 LYS H H 15 7.821 7.821 8.338 -0.517 25753
1313 1 6 . 1 1 16 16 CYS N N 16 115.469 115.469 118.756 -3.287 25753
1314 1 6 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.310 0.426 25753
1315 1 6 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.898 -3.098 25753
1316 1 6 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.948 14.306 25753
1317 1 6 . 1 1 16 16 CYS H H 16 7.844 7.844 7.642 0.202 25753
1318 1 6 . 1 1 17 17 GLN N N 17 115.128 115.128 117.184 -2.056 25753
1319 1 6 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.028 0.185 25753
1320 1 6 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.501 -1.401 25753
1321 1 6 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.949 -0.349 25753
1322 1 6 . 1 1 17 17 GLN H H 17 7.381 7.381 7.500 -0.119 25753
1323 1 6 . 1 1 18 18 LEU N N 18 120.972 120.972 119.409 1.563 25753
1324 1 6 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.544 -0.038 25753
1325 1 6 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.394 -0.094 25753
1326 1 6 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.587 -0.492 25753
1327 1 6 . 1 1 18 18 LEU H H 18 7.286 7.286 7.610 -0.324 25753
1328 1 6 . 1 1 19 19 ALA N N 19 127.694 127.694 128.428 -0.734 25753
1329 1 6 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.055 0.060 25753
1330 1 6 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.691 -2.091 25753
1331 1 6 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.542 -0.642 25753
1332 1 6 . 1 1 19 19 ALA H H 19 8.556 8.556 8.958 -0.402 25753
1333 1 6 . 1 1 20 20 ASN N N 20 116.006 116.006 116.266 -0.260 25753
1334 1 6 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.366 0.262 25753
1335 1 6 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.755 -1.055 25753
1336 1 6 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.528 1.465 25753
1337 1 6 . 1 1 20 20 ASN H H 20 9.044 9.044 8.655 0.389 25753
1338 1 6 . 1 1 21 21 GLN N N 21 122.731 122.731 120.793 1.938 25753
1339 1 6 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.261 -0.430 25753
1340 1 6 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.284 -0.084 25753
1341 1 6 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.512 0.578 25753
1342 1 6 . 1 1 21 21 GLN H H 21 7.662 7.662 7.571 0.091 25753
1343 1 6 . 1 1 22 22 CYS N N 22 118.925 118.925 119.813 -0.888 25753
1344 1 6 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.158 0.105 25753
1345 1 6 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.671 -5.571 25753
1346 1 6 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.381 12.119 25753
1347 1 6 . 1 1 22 22 CYS H H 22 8.475 8.475 7.854 0.621 25753
1348 1 6 . 1 1 23 23 ASN N N 23 118.714 118.714 118.181 0.533 25753
1349 1 6 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.441 -0.635 25753
1350 1 6 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.086 0.314 25753
1351 1 6 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.559 0.472 25753
1352 1 6 . 1 1 23 23 ASN H H 23 7.972 7.972 8.288 -0.316 25753
1353 1 6 . 1 1 24 24 TYR N N 24 117.828 117.828 120.238 -2.410 25753
1354 1 6 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.156 -0.242 25753
1355 1 6 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.398 -0.198 25753
1356 1 6 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.453 -0.370 25753
1357 1 6 . 1 1 24 24 TYR H H 24 8.107 8.107 7.945 0.162 25753
1358 1 6 . 1 1 25 25 ASP N N 25 119.620 119.620 117.448 2.172 25753
1359 1 6 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.306 0.323 25753
1360 1 6 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.953 0.447 25753
1361 1 6 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.810 -1.510 25753
1362 1 6 . 1 1 25 25 ASP H H 25 9.064 9.064 8.451 0.613 25753
1363 1 6 . 1 1 26 26 CYS N N 26 120.031 120.031 120.378 -0.347 25753
1364 1 6 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.247 -0.142 25753
1365 1 6 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.667 -1.467 25753
1366 1 6 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.542 10.058 25753
1367 1 6 . 1 1 26 26 CYS H H 26 9.280 9.280 8.377 0.903 25753
1368 1 6 . 1 1 27 27 LYS N N 27 119.838 119.838 119.070 0.768 25753
1369 1 6 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.240 -0.136 25753
1370 1 6 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.038 1.262 25753
1371 1 6 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.040 0.160 25753
1372 1 6 . 1 1 27 27 LYS H H 27 7.646 7.646 8.409 -0.763 25753
1373 1 6 . 1 1 28 28 LEU N N 28 119.791 119.791 120.094 -0.303 25753
1374 1 6 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.373 -0.338 25753
1375 1 6 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.851 -0.651 25753
1376 1 6 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.596 -0.604 25753
1377 1 6 . 1 1 28 28 LEU H H 28 8.257 8.257 7.822 0.435 25753
1378 1 6 . 1 1 29 29 ASP N N 29 116.737 116.737 118.135 -1.398 25753
1379 1 6 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.700 -0.224 25753
1380 1 6 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.378 -0.781 25753
1381 1 6 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.664 -1.364 25753
1382 1 6 . 1 1 29 29 ASP H H 29 8.977 8.977 8.560 0.417 25753
1383 1 6 . 1 1 30 30 LYS N N 30 111.907 111.907 117.363 -5.456 25753
1384 1 6 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.304 0.177 25753
1385 1 6 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.022 -3.043 25753
1386 1 6 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.946 -1.462 25753
1387 1 6 . 1 1 30 30 LYS H H 30 6.618 6.618 7.959 -1.341 25753
1388 1 6 . 1 1 31 31 HIS N N 31 112.966 112.966 115.511 -2.545 25753
1389 1 6 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.281 0.261 25753
1390 1 6 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.784 -0.884 25753
1391 1 6 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.925 -2.458 25753
1392 1 6 . 1 1 31 31 HIS H H 31 7.013 7.013 7.902 -0.889 25753
1393 1 6 . 1 1 32 32 ALA N N 32 120.001 120.001 118.920 1.081 25753
1394 1 6 . 1 1 32 32 ALA HA H 32 4.055 4.055 4.009 0.046 25753
1395 1 6 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.614 -1.214 25753
1396 1 6 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.590 -0.690 25753
1397 1 6 . 1 1 32 32 ALA H H 32 7.644 7.644 7.234 0.410 25753
1398 1 6 . 1 1 33 33 ARG N N 33 116.588 116.588 121.151 -4.563 25753
1399 1 6 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.952 0.185 25753
1400 1 6 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.858 -0.960 25753
1401 1 6 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.628 -0.241 25753
1402 1 6 . 1 1 33 33 ARG H H 33 8.254 8.254 8.222 0.032 25753
1403 1 6 . 1 1 34 34 SER N N 34 109.178 109.178 108.859 0.319 25753
1404 1 6 . 1 1 34 34 SER HA H 34 4.593 4.593 4.635 -0.042 25753
1405 1 6 . 1 1 34 34 SER CA C 34 57.500 57.500 57.424 0.076 25753
1406 1 6 . 1 1 34 34 SER CB C 34 64.825 64.825 66.466 -1.641 25753
1407 1 6 . 1 1 34 34 SER H H 34 7.989 7.989 7.602 0.387 25753
1408 1 6 . 1 1 35 35 GLY N N 35 107.345 107.345 106.663 0.682 25753
1409 1 6 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.847 0.853 25753
1410 1 6 . 1 1 35 35 GLY H H 35 8.633 8.633 8.697 -0.064 25753
1411 1 6 . 1 1 36 36 GLU N N 36 118.288 118.288 121.581 -3.293 25753
1412 1 6 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.908 -0.616 25753
1413 1 6 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.249 0.951 25753
1414 1 6 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.857 -2.193 25753
1415 1 6 . 1 1 36 36 GLU H H 36 8.236 8.236 9.047 -0.811 25753
1416 1 6 . 1 1 37 37 CYS N N 37 120.776 120.776 118.987 1.789 25753
1417 1 6 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.176 0.827 25753
1418 1 6 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.585 -2.385 25753
1419 1 6 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.516 17.184 25753
1420 1 6 . 1 1 37 37 CYS H H 37 8.856 8.856 8.682 0.174 25753
1421 1 6 . 1 1 38 38 PHE N N 38 121.520 121.520 121.942 -0.422 25753
1422 1 6 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753
1423 1 6 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.704 0.796 25753
1424 1 6 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.447 0.566 25753
1425 1 6 . 1 1 38 38 PHE H H 38 9.082 9.082 9.205 -0.123 25753
1426 1 6 . 1 1 39 39 TYR N N 39 122.581 122.581 122.185 0.396 25753
1427 1 6 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
1428 1 6 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.284 0.516 25753
1429 1 6 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.925 0.175 25753
1430 1 6 . 1 1 39 39 TYR H H 39 8.683 8.683 8.629 0.054 25753
1431 1 6 . 1 1 40 40 LYS N N 40 126.022 126.022 125.418 0.604 25753
1432 1 6 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.593 -0.274 25753
1433 1 6 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.229 0.471 25753
1434 1 6 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.113 -1.313 25753
1435 1 6 . 1 1 40 40 LYS H H 40 8.319 8.319 8.438 -0.119 25753
1436 1 6 . 1 1 41 41 GLU N N 41 120.017 120.017 117.731 2.286 25753
1437 1 6 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.100 0.027 25753
1438 1 6 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.965 -1.165 25753
1439 1 6 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.971 0.092 25753
1440 1 6 . 1 1 41 41 GLU H H 41 8.657 8.657 8.523 0.134 25753
1441 1 6 . 1 1 42 42 LYS N N 42 116.887 116.887 121.379 -4.492 25753
1442 1 6 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.228 -0.436 25753
1443 1 6 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.129 -0.429 25753
1444 1 6 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.580 -1.780 25753
1445 1 6 . 1 1 42 42 LYS H H 42 8.468 8.468 8.312 0.156 25753
1446 1 6 . 1 1 43 43 ARG N N 43 115.559 115.559 116.550 -0.991 25753
1447 1 6 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.437 -0.211 25753
1448 1 6 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.976 0.024 25753
1449 1 6 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.936 -1.136 25753
1450 1 6 . 1 1 43 43 ARG H H 43 8.165 8.165 7.997 0.168 25753
1451 1 6 . 1 1 44 44 ASN N N 44 117.868 117.868 118.919 -1.051 25753
1452 1 6 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.625 0.256 25753
1453 1 6 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.989 -1.589 25753
1454 1 6 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.056 0.144 25753
1455 1 6 . 1 1 44 44 ASN H H 44 7.983 7.983 7.816 0.167 25753
1456 1 6 . 1 1 45 45 LEU N N 45 125.712 125.712 121.351 4.361 25753
1457 1 6 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753
1458 1 6 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.746 1.354 25753
1459 1 6 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.748 -2.681 25753
1460 1 6 . 1 1 45 45 LEU H H 45 8.193 8.193 8.344 -0.151 25753
1461 1 6 . 1 1 46 46 GLN N N 46 120.613 120.613 119.450 1.163 25753
1462 1 6 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.684 -0.019 25753
1463 1 6 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.221 -0.221 25753
1464 1 6 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.105 -1.145 25753
1465 1 6 . 1 1 46 46 GLN H H 46 8.425 8.425 8.606 -0.181 25753
1466 1 6 . 1 1 47 47 CYS N N 47 122.193 122.193 120.990 1.203 25753
1467 1 6 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.007 -0.204 25753
1468 1 6 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.602 -3.902 25753
1469 1 6 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.954 10.046 25753
1470 1 6 . 1 1 47 47 CYS H H 47 9.198 9.198 8.955 0.243 25753
1471 1 6 . 1 1 48 48 ILE N N 48 129.093 129.093 125.563 3.530 25753
1472 1 6 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.709 -0.409 25753
1473 1 6 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.699 0.501 25753
1474 1 6 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.721 -2.620 25753
1475 1 6 . 1 1 48 48 ILE H H 48 8.696 8.696 9.061 -0.365 25753
1476 1 6 . 1 1 49 49 CYS N N 49 126.279 126.279 124.266 2.013 25753
1477 1 6 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.482 0.785 25753
1478 1 6 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.056 -7.669 25753
1479 1 6 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.374 6.173 25753
1480 1 6 . 1 1 49 49 CYS H H 49 8.555 8.555 8.926 -0.371 25753
1481 1 6 . 1 1 50 50 ASP N N 50 122.491 122.491 118.817 3.674 25753
1482 1 6 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.878 0.585 25753
1483 1 6 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.213 -1.113 25753
1484 1 6 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.574 -1.528 25753
1485 1 6 . 1 1 50 50 ASP H H 50 8.813 8.813 8.449 0.364 25753
1486 1 6 . 1 1 51 51 TYR N N 51 124.921 124.921 121.387 3.534 25753
1487 1 6 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.687 -0.487 25753
1488 1 6 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.840 1.260 25753
1489 1 6 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.780 -0.280 25753
1490 1 6 . 1 1 51 51 TYR H H 51 9.633 9.633 8.548 1.085 25753
1491 1 6 . 1 1 52 52 CYS N N 52 120.435 120.435 117.054 3.381 25753
1492 1 6 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.744 -0.330 25753
1493 1 6 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.153 -3.353 25753
1494 1 6 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.444 12.556 25753
1495 1 6 . 1 1 52 52 CYS H H 52 9.550 9.550 8.056 1.494 25753
1496 1 6 . 1 1 53 53 GLU N N 53 120.972 120.972 120.110 0.862 25753
1497 1 6 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.464 -0.217 25753
1498 1 6 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.489 -1.189 25753
1499 1 6 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.634 0.439 25753
1500 1 6 . 1 1 53 53 GLU H H 53 8.335 8.335 8.463 -0.128 25753
1501 1 7 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.391 -0.121 25753
1502 1 7 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.377 0.834 25753
1503 1 7 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.940 -0.618 25753
1504 1 7 . 1 1 3 3 LYS H H 3 8.214 8.214 8.350 -0.136 25753
1505 1 7 . 1 1 4 4 CYS N N 4 116.570 116.570 118.120 -1.550 25753
1506 1 7 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.263 0.431 25753
1507 1 7 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.106 -3.334 25753
1508 1 7 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.136 14.464 25753
1509 1 7 . 1 1 4 4 CYS H H 4 8.430 8.430 7.794 0.636 25753
1510 1 7 . 1 1 5 5 LYS N N 5 118.500 118.500 118.158 0.342 25753
1511 1 7 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.514 0.988 25753
1512 1 7 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.188 -1.622 25753
1513 1 7 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.615 0.685 25753
1514 1 7 . 1 1 5 5 LYS H H 5 7.965 7.965 7.733 0.232 25753
1515 1 7 . 1 1 6 6 LYS N N 6 121.002 121.002 121.962 -0.960 25753
1516 1 7 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.538 0.175 25753
1517 1 7 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.088 0.912 25753
1518 1 7 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.703 0.870 25753
1519 1 7 . 1 1 6 6 LYS H H 6 8.980 8.980 7.998 0.982 25753
1520 1 7 . 1 1 7 7 VAL N N 7 127.157 127.157 123.373 3.784 25753
1521 1 7 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.993 -0.080 25753
1522 1 7 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.731 1.669 25753
1523 1 7 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.908 -0.244 25753
1524 1 7 . 1 1 7 7 VAL H H 7 8.756 8.756 8.509 0.247 25753
1525 1 7 . 1 1 8 8 TYR N N 8 129.707 129.707 129.603 0.104 25753
1526 1 7 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.322 0.061 25753
1527 1 7 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.716 -3.566 25753
1528 1 7 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.607 -3.986 25753
1529 1 7 . 1 1 8 8 TYR H H 8 9.160 9.160 8.207 0.953 25753
1530 1 7 . 1 1 9 9 GLU N N 9 130.601 130.601 122.936 7.665 25753
1531 1 7 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.098 0.022 25753
1532 1 7 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.696 -0.798 25753
1533 1 7 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.950 -0.937 25753
1534 1 7 . 1 1 9 9 GLU H H 9 8.964 8.964 8.857 0.107 25753
1535 1 7 . 1 1 10 10 ASN N N 10 115.766 115.766 114.391 1.375 25753
1536 1 7 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.813 -0.448 25753
1537 1 7 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.178 1.022 25753
1538 1 7 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.714 -1.754 25753
1539 1 7 . 1 1 10 10 ASN H H 10 9.232 9.232 8.324 0.908 25753
1540 1 7 . 1 1 11 11 TYR N N 11 122.267 122.267 122.651 -0.384 25753
1541 1 7 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.774 -0.639 25753
1542 1 7 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.969 1.978 25753
1543 1 7 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.578 -0.473 25753
1544 1 7 . 1 1 11 11 TYR H H 11 7.473 7.473 8.331 -0.858 25753
1545 1 7 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.543 -0.111 25753
1546 1 7 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.828 -0.981 25753
1547 1 7 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.540 -2.290 25753
1548 1 7 . 1 1 13 13 VAL N N 13 123.595 123.595 125.107 -1.512 25753
1549 1 7 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753
1550 1 7 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.649 0.851 25753
1551 1 7 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.642 -0.531 25753
1552 1 7 . 1 1 13 13 VAL H H 13 8.102 8.102 8.550 -0.448 25753
1553 1 7 . 1 1 14 14 SER N N 14 116.945 116.945 116.121 0.824 25753
1554 1 7 . 1 1 14 14 SER HA H 14 4.119 4.119 4.231 -0.112 25753
1555 1 7 . 1 1 14 14 SER CA C 14 61.050 61.050 61.161 -0.111 25753
1556 1 7 . 1 1 14 14 SER CB C 14 61.239 61.239 62.711 -1.472 25753
1557 1 7 . 1 1 14 14 SER H H 14 8.387 8.387 8.075 0.312 25753
1558 1 7 . 1 1 15 15 LYS N N 15 121.073 121.073 122.131 -1.058 25753
1559 1 7 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.174 -0.105 25753
1560 1 7 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.638 0.662 25753
1561 1 7 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.072 -0.837 25753
1562 1 7 . 1 1 15 15 LYS H H 15 7.821 7.821 8.204 -0.383 25753
1563 1 7 . 1 1 16 16 CYS N N 16 115.469 115.469 118.763 -3.294 25753
1564 1 7 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.306 0.430 25753
1565 1 7 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.920 -3.120 25753
1566 1 7 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.950 14.305 25753
1567 1 7 . 1 1 16 16 CYS H H 16 7.844 7.844 7.647 0.197 25753
1568 1 7 . 1 1 17 17 GLN N N 17 115.128 115.128 117.188 -2.060 25753
1569 1 7 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.027 0.186 25753
1570 1 7 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.511 -1.411 25753
1571 1 7 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.946 -0.346 25753
1572 1 7 . 1 1 17 17 GLN H H 17 7.381 7.381 7.498 -0.117 25753
1573 1 7 . 1 1 18 18 LEU N N 18 120.972 120.972 119.405 1.567 25753
1574 1 7 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.545 -0.039 25753
1575 1 7 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.388 -0.088 25753
1576 1 7 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.581 -0.487 25753
1577 1 7 . 1 1 18 18 LEU H H 18 7.286 7.286 7.635 -0.349 25753
1578 1 7 . 1 1 19 19 ALA N N 19 127.694 127.694 128.450 -0.756 25753
1579 1 7 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.054 0.061 25753
1580 1 7 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.697 -2.097 25753
1581 1 7 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.543 -0.643 25753
1582 1 7 . 1 1 19 19 ALA H H 19 8.556 8.556 8.960 -0.404 25753
1583 1 7 . 1 1 20 20 ASN N N 20 116.006 116.006 116.243 -0.237 25753
1584 1 7 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.365 0.263 25753
1585 1 7 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.755 -1.055 25753
1586 1 7 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.528 1.465 25753
1587 1 7 . 1 1 20 20 ASN H H 20 9.044 9.044 8.654 0.390 25753
1588 1 7 . 1 1 21 21 GLN N N 21 122.731 122.731 120.781 1.950 25753
1589 1 7 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.255 -0.424 25753
1590 1 7 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.272 -0.072 25753
1591 1 7 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.510 0.580 25753
1592 1 7 . 1 1 21 21 GLN H H 21 7.662 7.662 7.567 0.095 25753
1593 1 7 . 1 1 22 22 CYS N N 22 118.925 118.925 119.828 -0.903 25753
1594 1 7 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.149 0.114 25753
1595 1 7 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.624 -5.524 25753
1596 1 7 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.362 12.138 25753
1597 1 7 . 1 1 22 22 CYS H H 22 8.475 8.475 7.849 0.626 25753
1598 1 7 . 1 1 23 23 ASN N N 23 118.714 118.714 118.179 0.535 25753
1599 1 7 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.437 -0.631 25753
1600 1 7 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.087 0.313 25753
1601 1 7 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.564 0.467 25753
1602 1 7 . 1 1 23 23 ASN H H 23 7.972 7.972 8.280 -0.308 25753
1603 1 7 . 1 1 24 24 TYR N N 24 117.828 117.828 120.215 -2.387 25753
1604 1 7 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.120 -0.206 25753
1605 1 7 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.425 -0.225 25753
1606 1 7 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.402 -0.319 25753
1607 1 7 . 1 1 24 24 TYR H H 24 8.107 8.107 7.912 0.195 25753
1608 1 7 . 1 1 25 25 ASP N N 25 119.620 119.620 117.198 2.422 25753
1609 1 7 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.335 0.294 25753
1610 1 7 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.769 0.631 25753
1611 1 7 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.914 -1.614 25753
1612 1 7 . 1 1 25 25 ASP H H 25 9.064 9.064 8.421 0.643 25753
1613 1 7 . 1 1 26 26 CYS N N 26 120.031 120.031 120.373 -0.342 25753
1614 1 7 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.223 -0.118 25753
1615 1 7 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.648 -1.448 25753
1616 1 7 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.532 10.068 25753
1617 1 7 . 1 1 26 26 CYS H H 26 9.280 9.280 8.360 0.920 25753
1618 1 7 . 1 1 27 27 LYS N N 27 119.838 119.838 119.023 0.815 25753
1619 1 7 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.260 -0.156 25753
1620 1 7 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.041 1.259 25753
1621 1 7 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.068 0.132 25753
1622 1 7 . 1 1 27 27 LYS H H 27 7.646 7.646 8.442 -0.796 25753
1623 1 7 . 1 1 28 28 LEU N N 28 119.791 119.791 120.803 -1.012 25753
1624 1 7 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.080 -0.045 25753
1625 1 7 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.373 -0.173 25753
1626 1 7 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.754 -0.762 25753
1627 1 7 . 1 1 28 28 LEU H H 28 8.257 8.257 7.805 0.452 25753
1628 1 7 . 1 1 29 29 ASP N N 29 116.737 116.737 118.258 -1.521 25753
1629 1 7 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.683 -0.207 25753
1630 1 7 . 1 1 29 29 ASP CA C 29 55.597 55.597 55.990 -0.393 25753
1631 1 7 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.795 -1.495 25753
1632 1 7 . 1 1 29 29 ASP H H 29 8.977 8.977 8.563 0.414 25753
1633 1 7 . 1 1 30 30 LYS N N 30 111.907 111.907 117.414 -5.507 25753
1634 1 7 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.277 0.204 25753
1635 1 7 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.867 -2.888 25753
1636 1 7 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.026 -1.542 25753
1637 1 7 . 1 1 30 30 LYS H H 30 6.618 6.618 7.928 -1.310 25753
1638 1 7 . 1 1 31 31 HIS N N 31 112.966 112.966 115.364 -2.398 25753
1639 1 7 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.316 0.226 25753
1640 1 7 . 1 1 31 31 HIS CA C 31 55.900 55.900 57.016 -1.116 25753
1641 1 7 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.782 -2.315 25753
1642 1 7 . 1 1 31 31 HIS H H 31 7.013 7.013 7.834 -0.821 25753
1643 1 7 . 1 1 32 32 ALA N N 32 120.001 120.001 119.945 0.056 25753
1644 1 7 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.991 0.064 25753
1645 1 7 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.826 -1.426 25753
1646 1 7 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.610 -0.710 25753
1647 1 7 . 1 1 32 32 ALA H H 32 7.644 7.644 7.333 0.311 25753
1648 1 7 . 1 1 33 33 ARG N N 33 116.588 116.588 120.506 -3.918 25753
1649 1 7 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.038 0.099 25753
1650 1 7 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.123 -1.226 25753
1651 1 7 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.722 -0.335 25753
1652 1 7 . 1 1 33 33 ARG H H 33 8.254 8.254 8.491 -0.237 25753
1653 1 7 . 1 1 34 34 SER N N 34 109.178 109.178 108.550 0.628 25753
1654 1 7 . 1 1 34 34 SER HA H 34 4.593 4.593 4.730 -0.137 25753
1655 1 7 . 1 1 34 34 SER CA C 34 57.500 57.500 57.591 -0.091 25753
1656 1 7 . 1 1 34 34 SER CB C 34 64.825 64.825 66.565 -1.740 25753
1657 1 7 . 1 1 34 34 SER H H 34 7.989 7.989 7.563 0.426 25753
1658 1 7 . 1 1 35 35 GLY N N 35 107.345 107.345 106.662 0.683 25753
1659 1 7 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.782 0.918 25753
1660 1 7 . 1 1 35 35 GLY H H 35 8.633 8.633 8.634 -0.001 25753
1661 1 7 . 1 1 36 36 GLU N N 36 118.288 118.288 121.451 -3.163 25753
1662 1 7 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.908 -0.616 25753
1663 1 7 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.329 0.871 25753
1664 1 7 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.896 -2.232 25753
1665 1 7 . 1 1 36 36 GLU H H 36 8.236 8.236 9.133 -0.897 25753
1666 1 7 . 1 1 37 37 CYS N N 37 120.776 120.776 119.002 1.774 25753
1667 1 7 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.168 0.835 25753
1668 1 7 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.560 -2.360 25753
1669 1 7 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.465 17.235 25753
1670 1 7 . 1 1 37 37 CYS H H 37 8.856 8.856 8.685 0.171 25753
1671 1 7 . 1 1 38 38 PHE N N 38 121.520 121.520 122.010 -0.490 25753
1672 1 7 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753
1673 1 7 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.687 0.813 25753
1674 1 7 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.409 0.604 25753
1675 1 7 . 1 1 38 38 PHE H H 38 9.082 9.082 9.195 -0.113 25753
1676 1 7 . 1 1 39 39 TYR N N 39 122.581 122.581 122.243 0.338 25753
1677 1 7 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
1678 1 7 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.288 0.511 25753
1679 1 7 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.924 0.176 25753
1680 1 7 . 1 1 39 39 TYR H H 39 8.683 8.683 8.628 0.055 25753
1681 1 7 . 1 1 40 40 LYS N N 40 126.022 126.022 124.996 1.026 25753
1682 1 7 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.637 -0.318 25753
1683 1 7 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.886 0.814 25753
1684 1 7 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.298 -1.498 25753
1685 1 7 . 1 1 40 40 LYS H H 40 8.319 8.319 8.438 -0.119 25753
1686 1 7 . 1 1 41 41 GLU N N 41 120.017 120.017 118.957 1.060 25753
1687 1 7 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.096 0.031 25753
1688 1 7 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.235 -1.435 25753
1689 1 7 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.934 -0.872 25753
1690 1 7 . 1 1 41 41 GLU H H 41 8.657 8.657 8.660 -0.003 25753
1691 1 7 . 1 1 42 42 LYS N N 42 116.887 116.887 120.145 -3.258 25753
1692 1 7 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.203 -0.411 25753
1693 1 7 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.941 -0.242 25753
1694 1 7 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.428 -1.628 25753
1695 1 7 . 1 1 42 42 LYS H H 42 8.468 8.468 8.464 0.004 25753
1696 1 7 . 1 1 43 43 ARG N N 43 115.559 115.559 115.537 0.022 25753
1697 1 7 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.573 -0.347 25753
1698 1 7 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.665 0.335 25753
1699 1 7 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.657 -1.857 25753
1700 1 7 . 1 1 43 43 ARG H H 43 8.165 8.165 7.951 0.214 25753
1701 1 7 . 1 1 44 44 ASN N N 44 117.868 117.868 118.952 -1.084 25753
1702 1 7 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.610 0.271 25753
1703 1 7 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.014 -1.614 25753
1704 1 7 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.127 0.073 25753
1705 1 7 . 1 1 44 44 ASN H H 44 7.983 7.983 7.951 0.032 25753
1706 1 7 . 1 1 45 45 LEU N N 45 125.712 125.712 121.413 4.299 25753
1707 1 7 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753
1708 1 7 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.726 1.374 25753
1709 1 7 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.716 -2.649 25753
1710 1 7 . 1 1 45 45 LEU H H 45 8.193 8.193 8.365 -0.172 25753
1711 1 7 . 1 1 46 46 GLN N N 46 120.613 120.613 119.413 1.200 25753
1712 1 7 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.684 -0.019 25753
1713 1 7 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.196 -0.195 25753
1714 1 7 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.098 -1.137 25753
1715 1 7 . 1 1 46 46 GLN H H 46 8.425 8.425 8.632 -0.207 25753
1716 1 7 . 1 1 47 47 CYS N N 47 122.193 122.193 121.043 1.150 25753
1717 1 7 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.009 -0.206 25753
1718 1 7 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.584 -3.884 25753
1719 1 7 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.849 10.151 25753
1720 1 7 . 1 1 47 47 CYS H H 47 9.198 9.198 8.946 0.252 25753
1721 1 7 . 1 1 48 48 ILE N N 48 129.093 129.093 125.672 3.421 25753
1722 1 7 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.748 -0.448 25753
1723 1 7 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.735 0.465 25753
1724 1 7 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.535 -2.435 25753
1725 1 7 . 1 1 48 48 ILE H H 48 8.696 8.696 9.008 -0.312 25753
1726 1 7 . 1 1 49 49 CYS N N 49 126.279 126.279 124.586 1.693 25753
1727 1 7 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.487 0.780 25753
1728 1 7 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.902 -7.515 25753
1729 1 7 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.387 6.160 25753
1730 1 7 . 1 1 49 49 CYS H H 49 8.555 8.555 8.949 -0.394 25753
1731 1 7 . 1 1 50 50 ASP N N 50 122.491 122.491 119.662 2.829 25753
1732 1 7 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.847 0.616 25753
1733 1 7 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.723 -1.623 25753
1734 1 7 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.658 -1.612 25753
1735 1 7 . 1 1 50 50 ASP H H 50 8.813 8.813 8.397 0.416 25753
1736 1 7 . 1 1 51 51 TYR N N 51 124.921 124.921 121.068 3.853 25753
1737 1 7 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.843 -0.643 25753
1738 1 7 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.231 1.869 25753
1739 1 7 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.918 -0.418 25753
1740 1 7 . 1 1 51 51 TYR H H 51 9.633 9.633 8.548 1.085 25753
1741 1 7 . 1 1 52 52 CYS N N 52 120.435 120.435 117.699 2.736 25753
1742 1 7 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.777 -0.363 25753
1743 1 7 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.919 -3.119 25753
1744 1 7 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.733 13.267 25753
1745 1 7 . 1 1 52 52 CYS H H 52 9.550 9.550 8.982 0.568 25753
1746 1 7 . 1 1 53 53 GLU N N 53 120.972 120.972 118.467 2.505 25753
1747 1 7 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.638 -0.391 25753
1748 1 7 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.583 -0.283 25753
1749 1 7 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.009 0.064 25753
1750 1 7 . 1 1 53 53 GLU H H 53 8.335 8.335 8.329 0.006 25753
1751 1 8 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.436 -0.166 25753
1752 1 8 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.575 0.636 25753
1753 1 8 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.920 -0.598 25753
1754 1 8 . 1 1 3 3 LYS H H 3 8.214 8.214 7.881 0.333 25753
1755 1 8 . 1 1 4 4 CYS N N 4 116.570 116.570 118.712 -2.142 25753
1756 1 8 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.312 0.382 25753
1757 1 8 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.490 -3.718 25753
1758 1 8 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.592 15.008 25753
1759 1 8 . 1 1 4 4 CYS H H 4 8.430 8.430 8.418 0.012 25753
1760 1 8 . 1 1 5 5 LYS N N 5 118.500 118.500 118.982 -0.482 25753
1761 1 8 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.454 1.048 25753
1762 1 8 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.024 -1.458 25753
1763 1 8 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.403 0.897 25753
1764 1 8 . 1 1 5 5 LYS H H 5 7.965 7.965 7.840 0.125 25753
1765 1 8 . 1 1 6 6 LYS N N 6 121.002 121.002 121.888 -0.886 25753
1766 1 8 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.588 0.125 25753
1767 1 8 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.893 1.107 25753
1768 1 8 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.820 0.753 25753
1769 1 8 . 1 1 6 6 LYS H H 6 8.980 8.980 7.907 1.073 25753
1770 1 8 . 1 1 7 7 VAL N N 7 127.157 127.157 124.107 3.050 25753
1771 1 8 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.931 -0.018 25753
1772 1 8 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.445 0.955 25753
1773 1 8 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.913 -0.249 25753
1774 1 8 . 1 1 7 7 VAL H H 7 8.756 8.756 8.505 0.251 25753
1775 1 8 . 1 1 8 8 TYR N N 8 129.707 129.707 129.143 0.564 25753
1776 1 8 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.357 0.026 25753
1777 1 8 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.802 -3.652 25753
1778 1 8 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.839 -4.218 25753
1779 1 8 . 1 1 8 8 TYR H H 8 9.160 9.160 8.065 1.095 25753
1780 1 8 . 1 1 9 9 GLU N N 9 130.601 130.601 122.995 7.606 25753
1781 1 8 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.065 0.055 25753
1782 1 8 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.809 -0.911 25753
1783 1 8 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.058 -1.044 25753
1784 1 8 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753
1785 1 8 . 1 1 10 10 ASN N N 10 115.766 115.766 114.313 1.453 25753
1786 1 8 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.831 -0.466 25753
1787 1 8 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.306 0.895 25753
1788 1 8 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.977 -2.017 25753
1789 1 8 . 1 1 10 10 ASN H H 10 9.232 9.232 8.095 1.137 25753
1790 1 8 . 1 1 11 11 TYR N N 11 122.267 122.267 122.506 -0.239 25753
1791 1 8 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.710 -0.575 25753
1792 1 8 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.307 1.640 25753
1793 1 8 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.504 -1.399 25753
1794 1 8 . 1 1 11 11 TYR H H 11 7.473 7.473 8.665 -1.192 25753
1795 1 8 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.590 -0.158 25753
1796 1 8 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.795 -0.949 25753
1797 1 8 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.765 -2.515 25753
1798 1 8 . 1 1 13 13 VAL N N 13 123.595 123.595 125.179 -1.584 25753
1799 1 8 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.657 0.097 25753
1800 1 8 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.298 0.202 25753
1801 1 8 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.908 -0.797 25753
1802 1 8 . 1 1 13 13 VAL H H 13 8.102 8.102 8.468 -0.366 25753
1803 1 8 . 1 1 14 14 SER N N 14 116.945 116.945 115.306 1.639 25753
1804 1 8 . 1 1 14 14 SER HA H 14 4.119 4.119 4.190 -0.071 25753
1805 1 8 . 1 1 14 14 SER CA C 14 61.050 61.050 61.118 -0.068 25753
1806 1 8 . 1 1 14 14 SER CB C 14 61.239 61.239 62.750 -1.511 25753
1807 1 8 . 1 1 14 14 SER H H 14 8.387 8.387 8.106 0.281 25753
1808 1 8 . 1 1 15 15 LYS N N 15 121.073 121.073 122.164 -1.091 25753
1809 1 8 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.191 -0.122 25753
1810 1 8 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.590 0.710 25753
1811 1 8 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.078 -0.843 25753
1812 1 8 . 1 1 15 15 LYS H H 15 7.821 7.821 7.867 -0.046 25753
1813 1 8 . 1 1 16 16 CYS N N 16 115.469 115.469 118.737 -3.268 25753
1814 1 8 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.294 0.442 25753
1815 1 8 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.041 -3.241 25753
1816 1 8 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.927 14.327 25753
1817 1 8 . 1 1 16 16 CYS H H 16 7.844 7.844 7.621 0.223 25753
1818 1 8 . 1 1 17 17 GLN N N 17 115.128 115.128 117.249 -2.121 25753
1819 1 8 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.032 0.181 25753
1820 1 8 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.652 -1.552 25753
1821 1 8 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.958 -0.358 25753
1822 1 8 . 1 1 17 17 GLN H H 17 7.381 7.381 7.512 -0.131 25753
1823 1 8 . 1 1 18 18 LEU N N 18 120.972 120.972 119.971 1.001 25753
1824 1 8 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.613 -0.107 25753
1825 1 8 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.189 0.111 25753
1826 1 8 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.085 0.009 25753
1827 1 8 . 1 1 18 18 LEU H H 18 7.286 7.286 7.752 -0.466 25753
1828 1 8 . 1 1 19 19 ALA N N 19 127.694 127.694 128.730 -1.036 25753
1829 1 8 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.978 0.137 25753
1830 1 8 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.348 -1.748 25753
1831 1 8 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.555 -0.655 25753
1832 1 8 . 1 1 19 19 ALA H H 19 8.556 8.556 8.969 -0.413 25753
1833 1 8 . 1 1 20 20 ASN N N 20 116.006 116.006 114.910 1.096 25753
1834 1 8 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.506 0.121 25753
1835 1 8 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.813 -1.113 25753
1836 1 8 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.026 0.967 25753
1837 1 8 . 1 1 20 20 ASN H H 20 9.044 9.044 8.714 0.330 25753
1838 1 8 . 1 1 21 21 GLN N N 21 122.731 122.731 121.040 1.691 25753
1839 1 8 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.327 -0.496 25753
1840 1 8 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.195 0.005 25753
1841 1 8 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.970 0.120 25753
1842 1 8 . 1 1 21 21 GLN H H 21 7.662 7.662 7.940 -0.278 25753
1843 1 8 . 1 1 22 22 CYS N N 22 118.925 118.925 119.682 -0.757 25753
1844 1 8 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.140 0.123 25753
1845 1 8 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.747 -5.647 25753
1846 1 8 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.437 12.063 25753
1847 1 8 . 1 1 22 22 CYS H H 22 8.475 8.475 7.929 0.546 25753
1848 1 8 . 1 1 23 23 ASN N N 23 118.714 118.714 118.027 0.687 25753
1849 1 8 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.474 -0.668 25753
1850 1 8 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.187 0.213 25753
1851 1 8 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.475 0.556 25753
1852 1 8 . 1 1 23 23 ASN H H 23 7.972 7.972 8.093 -0.121 25753
1853 1 8 . 1 1 24 24 TYR N N 24 117.828 117.828 120.342 -2.514 25753
1854 1 8 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.131 -0.217 25753
1855 1 8 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.310 -0.110 25753
1856 1 8 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.390 -0.307 25753
1857 1 8 . 1 1 24 24 TYR H H 24 8.107 8.107 7.822 0.285 25753
1858 1 8 . 1 1 25 25 ASP N N 25 119.620 119.620 117.414 2.206 25753
1859 1 8 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.261 0.368 25753
1860 1 8 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.041 0.359 25753
1861 1 8 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.571 -1.271 25753
1862 1 8 . 1 1 25 25 ASP H H 25 9.064 9.064 8.519 0.545 25753
1863 1 8 . 1 1 26 26 CYS N N 26 120.031 120.031 120.435 -0.404 25753
1864 1 8 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.257 -0.152 25753
1865 1 8 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.537 -1.337 25753
1866 1 8 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.578 10.022 25753
1867 1 8 . 1 1 26 26 CYS H H 26 9.280 9.280 8.328 0.952 25753
1868 1 8 . 1 1 27 27 LYS N N 27 119.838 119.838 119.043 0.795 25753
1869 1 8 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.244 -0.140 25753
1870 1 8 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753
1871 1 8 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.028 0.172 25753
1872 1 8 . 1 1 27 27 LYS H H 27 7.646 7.646 8.500 -0.854 25753
1873 1 8 . 1 1 28 28 LEU N N 28 119.791 119.791 121.085 -1.294 25753
1874 1 8 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.388 -0.353 25753
1875 1 8 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.672 -0.472 25753
1876 1 8 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.926 -0.934 25753
1877 1 8 . 1 1 28 28 LEU H H 28 8.257 8.257 7.714 0.543 25753
1878 1 8 . 1 1 29 29 ASP N N 29 116.737 116.737 119.323 -2.586 25753
1879 1 8 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.631 -0.155 25753
1880 1 8 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.486 -0.889 25753
1881 1 8 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.620 -1.320 25753
1882 1 8 . 1 1 29 29 ASP H H 29 8.977 8.977 8.551 0.426 25753
1883 1 8 . 1 1 30 30 LYS N N 30 111.907 111.907 117.009 -5.102 25753
1884 1 8 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.267 0.214 25753
1885 1 8 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.638 -3.659 25753
1886 1 8 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.032 -1.548 25753
1887 1 8 . 1 1 30 30 LYS H H 30 6.618 6.618 7.745 -1.127 25753
1888 1 8 . 1 1 31 31 HIS N N 31 112.966 112.966 115.872 -2.906 25753
1889 1 8 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.301 0.241 25753
1890 1 8 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.251 -0.351 25753
1891 1 8 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.431 -2.964 25753
1892 1 8 . 1 1 31 31 HIS H H 31 7.013 7.013 8.063 -1.050 25753
1893 1 8 . 1 1 32 32 ALA N N 32 120.001 120.001 120.500 -0.499 25753
1894 1 8 . 1 1 32 32 ALA HA H 32 4.055 4.055 4.001 0.054 25753
1895 1 8 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.603 -1.203 25753
1896 1 8 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.878 -0.978 25753
1897 1 8 . 1 1 32 32 ALA H H 32 7.644 7.644 7.302 0.342 25753
1898 1 8 . 1 1 33 33 ARG N N 33 116.588 116.588 120.138 -3.550 25753
1899 1 8 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.984 0.153 25753
1900 1 8 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.674 -0.776 25753
1901 1 8 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.700 -0.313 25753
1902 1 8 . 1 1 33 33 ARG H H 33 8.254 8.254 8.437 -0.182 25753
1903 1 8 . 1 1 34 34 SER N N 34 109.178 109.178 109.503 -0.325 25753
1904 1 8 . 1 1 34 34 SER HA H 34 4.593 4.593 4.756 -0.163 25753
1905 1 8 . 1 1 34 34 SER CA C 34 57.500 57.500 57.382 0.118 25753
1906 1 8 . 1 1 34 34 SER CB C 34 64.825 64.825 66.604 -1.779 25753
1907 1 8 . 1 1 34 34 SER H H 34 7.989 7.989 7.771 0.218 25753
1908 1 8 . 1 1 35 35 GLY N N 35 107.345 107.345 106.979 0.366 25753
1909 1 8 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.910 0.790 25753
1910 1 8 . 1 1 35 35 GLY H H 35 8.633 8.633 8.594 0.039 25753
1911 1 8 . 1 1 36 36 GLU N N 36 118.288 118.288 122.019 -3.731 25753
1912 1 8 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.883 -0.591 25753
1913 1 8 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.117 2.083 25753
1914 1 8 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.027 -0.363 25753
1915 1 8 . 1 1 36 36 GLU H H 36 8.236 8.236 8.329 -0.093 25753
1916 1 8 . 1 1 37 37 CYS N N 37 120.776 120.776 118.823 1.953 25753
1917 1 8 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.953 1.050 25753
1918 1 8 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.934 -2.734 25753
1919 1 8 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.337 17.363 25753
1920 1 8 . 1 1 37 37 CYS H H 37 8.856 8.856 8.494 0.362 25753
1921 1 8 . 1 1 38 38 PHE N N 38 121.520 121.520 121.897 -0.377 25753
1922 1 8 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.820 -0.133 25753
1923 1 8 . 1 1 38 38 PHE CA C 38 56.500 56.500 56.164 0.336 25753
1924 1 8 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.457 -0.444 25753
1925 1 8 . 1 1 38 38 PHE H H 38 9.082 9.082 8.876 0.206 25753
1926 1 8 . 1 1 39 39 TYR N N 39 122.581 122.581 123.152 -0.571 25753
1927 1 8 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.733 -0.121 25753
1928 1 8 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.288 0.512 25753
1929 1 8 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.064 0.036 25753
1930 1 8 . 1 1 39 39 TYR H H 39 8.683 8.683 8.595 0.088 25753
1931 1 8 . 1 1 40 40 LYS N N 40 126.022 126.022 124.524 1.498 25753
1932 1 8 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.501 -0.182 25753
1933 1 8 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.827 -0.127 25753
1934 1 8 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.276 -1.476 25753
1935 1 8 . 1 1 40 40 LYS H H 40 8.319 8.319 8.551 -0.232 25753
1936 1 8 . 1 1 41 41 GLU N N 41 120.017 120.017 118.769 1.248 25753
1937 1 8 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.126 0.001 25753
1938 1 8 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.782 -0.982 25753
1939 1 8 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.155 -0.092 25753
1940 1 8 . 1 1 41 41 GLU H H 41 8.657 8.657 8.578 0.079 25753
1941 1 8 . 1 1 42 42 LYS N N 42 116.887 116.887 120.959 -4.072 25753
1942 1 8 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.164 -0.372 25753
1943 1 8 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.947 -0.247 25753
1944 1 8 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.597 -1.797 25753
1945 1 8 . 1 1 42 42 LYS H H 42 8.468 8.468 8.300 0.168 25753
1946 1 8 . 1 1 43 43 ARG N N 43 115.559 115.559 116.656 -1.097 25753
1947 1 8 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.421 -0.195 25753
1948 1 8 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.982 0.018 25753
1949 1 8 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.680 -0.880 25753
1950 1 8 . 1 1 43 43 ARG H H 43 8.165 8.165 8.143 0.022 25753
1951 1 8 . 1 1 44 44 ASN N N 44 117.868 117.868 119.544 -1.676 25753
1952 1 8 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.645 0.236 25753
1953 1 8 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.869 -1.469 25753
1954 1 8 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.248 -0.048 25753
1955 1 8 . 1 1 44 44 ASN H H 44 7.983 7.983 7.888 0.095 25753
1956 1 8 . 1 1 45 45 LEU N N 45 125.712 125.712 120.783 4.929 25753
1957 1 8 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.592 -0.286 25753
1958 1 8 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.855 1.245 25753
1959 1 8 . 1 1 45 45 LEU CB C 45 43.067 43.067 46.018 -2.951 25753
1960 1 8 . 1 1 45 45 LEU H H 45 8.193 8.193 8.412 -0.219 25753
1961 1 8 . 1 1 46 46 GLN N N 46 120.613 120.613 119.239 1.374 25753
1962 1 8 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.690 -0.025 25753
1963 1 8 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.566 0.434 25753
1964 1 8 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.778 -0.817 25753
1965 1 8 . 1 1 46 46 GLN H H 46 8.425 8.425 8.967 -0.542 25753
1966 1 8 . 1 1 47 47 CYS N N 47 122.193 122.193 120.813 1.380 25753
1967 1 8 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.901 -0.098 25753
1968 1 8 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.701 -4.001 25753
1969 1 8 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.100 9.900 25753
1970 1 8 . 1 1 47 47 CYS H H 47 9.198 9.198 8.909 0.289 25753
1971 1 8 . 1 1 48 48 ILE N N 48 129.093 129.093 125.271 3.822 25753
1972 1 8 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.721 -0.421 25753
1973 1 8 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.765 0.435 25753
1974 1 8 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.899 -2.799 25753
1975 1 8 . 1 1 48 48 ILE H H 48 8.696 8.696 8.482 0.214 25753
1976 1 8 . 1 1 49 49 CYS N N 49 126.279 126.279 124.199 2.080 25753
1977 1 8 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.446 0.821 25753
1978 1 8 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.046 -7.659 25753
1979 1 8 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.336 6.211 25753
1980 1 8 . 1 1 49 49 CYS H H 49 8.555 8.555 8.944 -0.389 25753
1981 1 8 . 1 1 50 50 ASP N N 50 122.491 122.491 118.760 3.731 25753
1982 1 8 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.895 0.568 25753
1983 1 8 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.651 -1.551 25753
1984 1 8 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.459 -1.413 25753
1985 1 8 . 1 1 50 50 ASP H H 50 8.813 8.813 8.483 0.330 25753
1986 1 8 . 1 1 51 51 TYR N N 51 124.921 124.921 122.577 2.344 25753
1987 1 8 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.816 -0.616 25753
1988 1 8 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.117 1.983 25753
1989 1 8 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.566 -0.066 25753
1990 1 8 . 1 1 51 51 TYR H H 51 9.633 9.633 7.959 1.674 25753
1991 1 8 . 1 1 52 52 CYS N N 52 120.435 120.435 116.611 3.824 25753
1992 1 8 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.786 -0.372 25753
1993 1 8 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.575 -2.775 25753
1994 1 8 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.172 12.828 25753
1995 1 8 . 1 1 52 52 CYS H H 52 9.550 9.550 7.713 1.837 25753
1996 1 8 . 1 1 53 53 GLU N N 53 120.972 120.972 118.851 2.121 25753
1997 1 8 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.491 -0.244 25753
1998 1 8 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.751 -0.451 25753
1999 1 8 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.442 0.631 25753
2000 1 8 . 1 1 53 53 GLU H H 53 8.335 8.335 8.126 0.209 25753
2001 1 9 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.432 -0.162 25753
2002 1 9 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.211 -0.000 25753
2003 1 9 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.657 -1.335 25753
2004 1 9 . 1 1 3 3 LYS H H 3 8.214 8.214 8.750 -0.536 25753
2005 1 9 . 1 1 4 4 CYS N N 4 116.570 116.570 115.052 1.518 25753
2006 1 9 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.567 0.127 25753
2007 1 9 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.768 -2.996 25753
2008 1 9 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.763 13.837 25753
2009 1 9 . 1 1 4 4 CYS H H 4 8.430 8.430 7.850 0.580 25753
2010 1 9 . 1 1 5 5 LYS N N 5 118.500 118.500 122.863 -4.363 25753
2011 1 9 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.487 1.015 25753
2012 1 9 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.427 -1.861 25753
2013 1 9 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.497 0.803 25753
2014 1 9 . 1 1 5 5 LYS H H 5 7.965 7.965 8.091 -0.126 25753
2015 1 9 . 1 1 6 6 LYS N N 6 121.002 121.002 122.759 -1.757 25753
2016 1 9 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.561 0.152 25753
2017 1 9 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.034 0.966 25753
2018 1 9 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.043 0.530 25753
2019 1 9 . 1 1 6 6 LYS H H 6 8.980 8.980 7.756 1.224 25753
2020 1 9 . 1 1 7 7 VAL N N 7 127.157 127.157 124.709 2.448 25753
2021 1 9 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.874 0.039 25753
2022 1 9 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.349 1.051 25753
2023 1 9 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.633 0.031 25753
2024 1 9 . 1 1 7 7 VAL H H 7 8.756 8.756 8.571 0.185 25753
2025 1 9 . 1 1 8 8 TYR N N 8 129.707 129.707 129.499 0.208 25753
2026 1 9 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.326 0.057 25753
2027 1 9 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.608 -3.458 25753
2028 1 9 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.656 -4.035 25753
2029 1 9 . 1 1 8 8 TYR H H 8 9.160 9.160 8.145 1.015 25753
2030 1 9 . 1 1 9 9 GLU N N 9 130.601 130.601 123.039 7.562 25753
2031 1 9 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.066 0.054 25753
2032 1 9 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.838 -0.940 25753
2033 1 9 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.036 -1.023 25753
2034 1 9 . 1 1 9 9 GLU H H 9 8.964 8.964 8.894 0.070 25753
2035 1 9 . 1 1 10 10 ASN N N 10 115.766 115.766 113.480 2.286 25753
2036 1 9 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.792 -0.426 25753
2037 1 9 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.403 0.797 25753
2038 1 9 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.328 -1.368 25753
2039 1 9 . 1 1 10 10 ASN H H 10 9.232 9.232 8.277 0.955 25753
2040 1 9 . 1 1 11 11 TYR N N 11 122.267 122.267 122.427 -0.160 25753
2041 1 9 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.683 -0.548 25753
2042 1 9 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.407 2.540 25753
2043 1 9 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.690 -0.585 25753
2044 1 9 . 1 1 11 11 TYR H H 11 7.473 7.473 8.307 -0.834 25753
2045 1 9 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.558 -0.126 25753
2046 1 9 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.777 -0.930 25753
2047 1 9 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.372 -2.122 25753
2048 1 9 . 1 1 13 13 VAL N N 13 123.595 123.595 125.336 -1.741 25753
2049 1 9 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.676 0.078 25753
2050 1 9 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.529 0.971 25753
2051 1 9 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.768 -0.657 25753
2052 1 9 . 1 1 13 13 VAL H H 13 8.102 8.102 8.548 -0.446 25753
2053 1 9 . 1 1 14 14 SER N N 14 116.945 116.945 114.661 2.284 25753
2054 1 9 . 1 1 14 14 SER HA H 14 4.119 4.119 4.276 -0.157 25753
2055 1 9 . 1 1 14 14 SER CA C 14 61.050 61.050 61.416 -0.366 25753
2056 1 9 . 1 1 14 14 SER CB C 14 61.239 61.239 62.796 -1.557 25753
2057 1 9 . 1 1 14 14 SER H H 14 8.387 8.387 8.352 0.035 25753
2058 1 9 . 1 1 15 15 LYS N N 15 121.073 121.073 121.423 -0.350 25753
2059 1 9 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.258 -0.189 25753
2060 1 9 . 1 1 15 15 LYS CA C 15 59.300 59.300 57.767 1.533 25753
2061 1 9 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.770 -0.535 25753
2062 1 9 . 1 1 15 15 LYS H H 15 7.821 7.821 7.703 0.118 25753
2063 1 9 . 1 1 16 16 CYS N N 16 115.469 115.469 119.293 -3.824 25753
2064 1 9 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.267 0.469 25753
2065 1 9 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.154 -3.353 25753
2066 1 9 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.076 14.178 25753
2067 1 9 . 1 1 16 16 CYS H H 16 7.844 7.844 7.608 0.236 25753
2068 1 9 . 1 1 17 17 GLN N N 17 115.128 115.128 117.225 -2.097 25753
2069 1 9 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.049 0.164 25753
2070 1 9 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.652 -1.552 25753
2071 1 9 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.921 -0.321 25753
2072 1 9 . 1 1 17 17 GLN H H 17 7.381 7.381 7.801 -0.420 25753
2073 1 9 . 1 1 18 18 LEU N N 18 120.972 120.972 119.885 1.087 25753
2074 1 9 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.624 -0.118 25753
2075 1 9 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.183 0.117 25753
2076 1 9 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.139 -0.045 25753
2077 1 9 . 1 1 18 18 LEU H H 18 7.286 7.286 7.903 -0.617 25753
2078 1 9 . 1 1 19 19 ALA N N 19 127.694 127.694 128.912 -1.218 25753
2079 1 9 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.981 0.134 25753
2080 1 9 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.437 -1.837 25753
2081 1 9 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.525 -0.625 25753
2082 1 9 . 1 1 19 19 ALA H H 19 8.556 8.556 8.980 -0.424 25753
2083 1 9 . 1 1 20 20 ASN N N 20 116.006 116.006 114.895 1.111 25753
2084 1 9 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.494 0.134 25753
2085 1 9 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.870 -1.171 25753
2086 1 9 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.001 0.992 25753
2087 1 9 . 1 1 20 20 ASN H H 20 9.044 9.044 8.746 0.298 25753
2088 1 9 . 1 1 21 21 GLN N N 21 122.731 122.731 120.915 1.816 25753
2089 1 9 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.318 -0.487 25753
2090 1 9 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.134 0.066 25753
2091 1 9 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.988 0.102 25753
2092 1 9 . 1 1 21 21 GLN H H 21 7.662 7.662 7.837 -0.175 25753
2093 1 9 . 1 1 22 22 CYS N N 22 118.925 118.925 119.916 -0.991 25753
2094 1 9 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.129 0.134 25753
2095 1 9 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.793 -5.693 25753
2096 1 9 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.438 12.062 25753
2097 1 9 . 1 1 22 22 CYS H H 22 8.475 8.475 7.965 0.510 25753
2098 1 9 . 1 1 23 23 ASN N N 23 118.714 118.714 117.992 0.722 25753
2099 1 9 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.424 -0.618 25753
2100 1 9 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.132 0.269 25753
2101 1 9 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.496 0.534 25753
2102 1 9 . 1 1 23 23 ASN H H 23 7.972 7.972 8.132 -0.160 25753
2103 1 9 . 1 1 24 24 TYR N N 24 117.828 117.828 120.067 -2.239 25753
2104 1 9 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.118 -0.204 25753
2105 1 9 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.434 -0.234 25753
2106 1 9 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.379 -0.296 25753
2107 1 9 . 1 1 24 24 TYR H H 24 8.107 8.107 7.774 0.333 25753
2108 1 9 . 1 1 25 25 ASP N N 25 119.620 119.620 117.051 2.569 25753
2109 1 9 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.318 0.311 25753
2110 1 9 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.779 0.621 25753
2111 1 9 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.850 -1.550 25753
2112 1 9 . 1 1 25 25 ASP H H 25 9.064 9.064 8.363 0.701 25753
2113 1 9 . 1 1 26 26 CYS N N 26 120.031 120.031 120.455 -0.424 25753
2114 1 9 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.185 -0.080 25753
2115 1 9 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.599 -1.399 25753
2116 1 9 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.510 10.090 25753
2117 1 9 . 1 1 26 26 CYS H H 26 9.280 9.280 8.334 0.946 25753
2118 1 9 . 1 1 27 27 LYS N N 27 119.838 119.838 118.967 0.871 25753
2119 1 9 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.229 -0.125 25753
2120 1 9 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.025 1.275 25753
2121 1 9 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.079 0.121 25753
2122 1 9 . 1 1 27 27 LYS H H 27 7.646 7.646 8.464 -0.818 25753
2123 1 9 . 1 1 28 28 LEU N N 28 119.791 119.791 121.198 -1.407 25753
2124 1 9 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.107 -0.072 25753
2125 1 9 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.465 -0.265 25753
2126 1 9 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.602 -0.610 25753
2127 1 9 . 1 1 28 28 LEU H H 28 8.257 8.257 7.737 0.520 25753
2128 1 9 . 1 1 29 29 ASP N N 29 116.737 116.737 117.312 -0.575 25753
2129 1 9 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.412 0.064 25753
2130 1 9 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.731 -1.134 25753
2131 1 9 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.700 -1.400 25753
2132 1 9 . 1 1 29 29 ASP H H 29 8.977 8.977 8.395 0.582 25753
2133 1 9 . 1 1 30 30 LYS N N 30 111.907 111.907 116.489 -4.582 25753
2134 1 9 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.301 0.180 25753
2135 1 9 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.040 -3.061 25753
2136 1 9 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.677 -1.193 25753
2137 1 9 . 1 1 30 30 LYS H H 30 6.618 6.618 7.687 -1.069 25753
2138 1 9 . 1 1 31 31 HIS N N 31 112.966 112.966 113.188 -0.222 25753
2139 1 9 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.304 0.238 25753
2140 1 9 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.877 -0.977 25753
2141 1 9 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.695 -1.228 25753
2142 1 9 . 1 1 31 31 HIS H H 31 7.013 7.013 7.617 -0.604 25753
2143 1 9 . 1 1 32 32 ALA N N 32 120.001 120.001 120.593 -0.592 25753
2144 1 9 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.805 0.250 25753
2145 1 9 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.276 -0.876 25753
2146 1 9 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.998 -1.098 25753
2147 1 9 . 1 1 32 32 ALA H H 32 7.644 7.644 7.275 0.369 25753
2148 1 9 . 1 1 33 33 ARG N N 33 116.588 116.588 120.462 -3.874 25753
2149 1 9 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.023 0.114 25753
2150 1 9 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.761 -0.863 25753
2151 1 9 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.728 -0.341 25753
2152 1 9 . 1 1 33 33 ARG H H 33 8.254 8.254 8.339 -0.085 25753
2153 1 9 . 1 1 34 34 SER N N 34 109.178 109.178 109.432 -0.254 25753
2154 1 9 . 1 1 34 34 SER HA H 34 4.593 4.593 5.083 -0.490 25753
2155 1 9 . 1 1 34 34 SER CA C 34 57.500 57.500 57.171 0.329 25753
2156 1 9 . 1 1 34 34 SER CB C 34 64.825 64.825 67.103 -2.278 25753
2157 1 9 . 1 1 34 34 SER H H 34 7.989 7.989 7.665 0.324 25753
2158 1 9 . 1 1 35 35 GLY N N 35 107.345 107.345 107.032 0.313 25753
2159 1 9 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.890 0.810 25753
2160 1 9 . 1 1 35 35 GLY H H 35 8.633 8.633 8.457 0.176 25753
2161 1 9 . 1 1 36 36 GLU N N 36 118.288 118.288 122.374 -4.086 25753
2162 1 9 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.810 -0.518 25753
2163 1 9 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.528 0.672 25753
2164 1 9 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.468 -1.804 25753
2165 1 9 . 1 1 36 36 GLU H H 36 8.236 8.236 8.552 -0.316 25753
2166 1 9 . 1 1 37 37 CYS N N 37 120.776 120.776 118.784 1.992 25753
2167 1 9 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.066 0.937 25753
2168 1 9 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.948 -2.748 25753
2169 1 9 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.514 17.186 25753
2170 1 9 . 1 1 37 37 CYS H H 37 8.856 8.856 8.596 0.260 25753
2171 1 9 . 1 1 38 38 PHE N N 38 121.520 121.520 121.848 -0.328 25753
2172 1 9 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.832 -0.145 25753
2173 1 9 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.640 0.860 25753
2174 1 9 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.373 -0.360 25753
2175 1 9 . 1 1 38 38 PHE H H 38 9.082 9.082 9.197 -0.115 25753
2176 1 9 . 1 1 39 39 TYR N N 39 122.581 122.581 123.410 -0.829 25753
2177 1 9 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.714 -0.102 25753
2178 1 9 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.243 0.557 25753
2179 1 9 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.130 -0.030 25753
2180 1 9 . 1 1 39 39 TYR H H 39 8.683 8.683 8.529 0.154 25753
2181 1 9 . 1 1 40 40 LYS N N 40 126.022 126.022 125.087 0.935 25753
2182 1 9 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.618 -0.299 25753
2183 1 9 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.766 0.934 25753
2184 1 9 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.353 -1.553 25753
2185 1 9 . 1 1 40 40 LYS H H 40 8.319 8.319 8.431 -0.112 25753
2186 1 9 . 1 1 41 41 GLU N N 41 120.017 120.017 118.785 1.232 25753
2187 1 9 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753
2188 1 9 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.186 -1.386 25753
2189 1 9 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.931 -0.868 25753
2190 1 9 . 1 1 41 41 GLU H H 41 8.657 8.657 8.624 0.033 25753
2191 1 9 . 1 1 42 42 LYS N N 42 116.887 116.887 120.108 -3.221 25753
2192 1 9 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.176 -0.384 25753
2193 1 9 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.157 -0.458 25753
2194 1 9 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.601 -1.801 25753
2195 1 9 . 1 1 42 42 LYS H H 42 8.468 8.468 8.419 0.049 25753
2196 1 9 . 1 1 43 43 ARG N N 43 115.559 115.559 114.944 0.615 25753
2197 1 9 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.557 -0.331 25753
2198 1 9 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.879 0.121 25753
2199 1 9 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.887 -2.087 25753
2200 1 9 . 1 1 43 43 ARG H H 43 8.165 8.165 7.881 0.284 25753
2201 1 9 . 1 1 44 44 ASN N N 44 117.868 117.868 119.409 -1.541 25753
2202 1 9 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.620 0.261 25753
2203 1 9 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.058 -1.658 25753
2204 1 9 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.266 -0.066 25753
2205 1 9 . 1 1 44 44 ASN H H 44 7.983 7.983 7.898 0.085 25753
2206 1 9 . 1 1 45 45 LEU N N 45 125.712 125.712 121.561 4.151 25753
2207 1 9 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.613 -0.307 25753
2208 1 9 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.696 1.404 25753
2209 1 9 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.745 -2.678 25753
2210 1 9 . 1 1 45 45 LEU H H 45 8.193 8.193 8.357 -0.164 25753
2211 1 9 . 1 1 46 46 GLN N N 46 120.613 120.613 119.488 1.125 25753
2212 1 9 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.675 -0.010 25753
2213 1 9 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.156 -0.156 25753
2214 1 9 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.047 -1.086 25753
2215 1 9 . 1 1 46 46 GLN H H 46 8.425 8.425 8.721 -0.296 25753
2216 1 9 . 1 1 47 47 CYS N N 47 122.193 122.193 121.136 1.057 25753
2217 1 9 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.857 -0.054 25753
2218 1 9 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.629 -3.929 25753
2219 1 9 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.856 10.144 25753
2220 1 9 . 1 1 47 47 CYS H H 47 9.198 9.198 8.936 0.262 25753
2221 1 9 . 1 1 48 48 ILE N N 48 129.093 129.093 125.647 3.446 25753
2222 1 9 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.672 -0.372 25753
2223 1 9 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.711 0.489 25753
2224 1 9 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.496 -2.396 25753
2225 1 9 . 1 1 48 48 ILE H H 48 8.696 8.696 8.956 -0.260 25753
2226 1 9 . 1 1 49 49 CYS N N 49 126.279 126.279 123.980 2.299 25753
2227 1 9 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.497 0.770 25753
2228 1 9 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.727 -7.340 25753
2229 1 9 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.668 5.879 25753
2230 1 9 . 1 1 49 49 CYS H H 49 8.555 8.555 8.966 -0.411 25753
2231 1 9 . 1 1 50 50 ASP N N 50 122.491 122.491 118.895 3.596 25753
2232 1 9 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.917 0.546 25753
2233 1 9 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.948 -1.848 25753
2234 1 9 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.585 -1.539 25753
2235 1 9 . 1 1 50 50 ASP H H 50 8.813 8.813 8.526 0.287 25753
2236 1 9 . 1 1 51 51 TYR N N 51 124.921 124.921 123.769 1.152 25753
2237 1 9 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.774 -0.574 25753
2238 1 9 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.038 2.062 25753
2239 1 9 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.140 0.360 25753
2240 1 9 . 1 1 51 51 TYR H H 51 9.633 9.633 7.927 1.706 25753
2241 1 9 . 1 1 52 52 CYS N N 52 120.435 120.435 116.355 4.080 25753
2242 1 9 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.833 -0.419 25753
2243 1 9 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.723 -2.923 25753
2244 1 9 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.466 13.534 25753
2245 1 9 . 1 1 52 52 CYS H H 52 9.550 9.550 8.455 1.095 25753
2246 1 9 . 1 1 53 53 GLU N N 53 120.972 120.972 118.681 2.291 25753
2247 1 9 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.508 -0.261 25753
2248 1 9 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.841 -0.541 25753
2249 1 9 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.603 0.470 25753
2250 1 9 . 1 1 53 53 GLU H H 53 8.335 8.335 8.300 0.035 25753
2251 1 10 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.084 0.186 25753
2252 1 10 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.478 0.733 25753
2253 1 10 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.114 0.208 25753
2254 1 10 . 1 1 3 3 LYS H H 3 8.214 8.214 8.219 -0.005 25753
2255 1 10 . 1 1 4 4 CYS N N 4 116.570 116.570 121.734 -5.164 25753
2256 1 10 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.295 0.399 25753
2257 1 10 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.585 -2.813 25753
2258 1 10 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.290 14.310 25753
2259 1 10 . 1 1 4 4 CYS H H 4 8.430 8.430 8.591 -0.161 25753
2260 1 10 . 1 1 5 5 LYS N N 5 118.500 118.500 119.267 -0.767 25753
2261 1 10 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.475 1.027 25753
2262 1 10 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.154 -1.588 25753
2263 1 10 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.463 0.837 25753
2264 1 10 . 1 1 5 5 LYS H H 5 7.965 7.965 7.760 0.205 25753
2265 1 10 . 1 1 6 6 LYS N N 6 121.002 121.002 122.505 -1.503 25753
2266 1 10 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.646 0.067 25753
2267 1 10 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.298 -0.298 25753
2268 1 10 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.852 0.721 25753
2269 1 10 . 1 1 6 6 LYS H H 6 8.980 8.980 8.065 0.915 25753
2270 1 10 . 1 1 7 7 VAL N N 7 127.157 127.157 123.975 3.182 25753
2271 1 10 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.994 -0.081 25753
2272 1 10 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.628 0.772 25753
2273 1 10 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.863 -0.199 25753
2274 1 10 . 1 1 7 7 VAL H H 7 8.756 8.756 8.482 0.274 25753
2275 1 10 . 1 1 8 8 TYR N N 8 129.707 129.707 129.061 0.646 25753
2276 1 10 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.385 -0.002 25753
2277 1 10 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.800 -3.650 25753
2278 1 10 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.624 -4.003 25753
2279 1 10 . 1 1 8 8 TYR H H 8 9.160 9.160 8.218 0.942 25753
2280 1 10 . 1 1 9 9 GLU N N 9 130.601 130.601 122.972 7.629 25753
2281 1 10 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.083 0.037 25753
2282 1 10 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.911 -1.013 25753
2283 1 10 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.052 -1.038 25753
2284 1 10 . 1 1 9 9 GLU H H 9 8.964 8.964 8.917 0.047 25753
2285 1 10 . 1 1 10 10 ASN N N 10 115.766 115.766 113.678 2.088 25753
2286 1 10 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.810 -0.445 25753
2287 1 10 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.398 0.802 25753
2288 1 10 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.793 -1.833 25753
2289 1 10 . 1 1 10 10 ASN H H 10 9.232 9.232 8.253 0.979 25753
2290 1 10 . 1 1 11 11 TYR N N 11 122.267 122.267 121.948 0.319 25753
2291 1 10 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.770 -0.635 25753
2292 1 10 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.766 2.181 25753
2293 1 10 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.646 -0.541 25753
2294 1 10 . 1 1 11 11 TYR H H 11 7.473 7.473 8.289 -0.816 25753
2295 1 10 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.576 -0.144 25753
2296 1 10 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.781 -0.934 25753
2297 1 10 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.676 -2.426 25753
2298 1 10 . 1 1 13 13 VAL N N 13 123.595 123.595 125.449 -1.854 25753
2299 1 10 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.687 0.067 25753
2300 1 10 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.350 0.150 25753
2301 1 10 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.812 -0.701 25753
2302 1 10 . 1 1 13 13 VAL H H 13 8.102 8.102 8.596 -0.494 25753
2303 1 10 . 1 1 14 14 SER N N 14 116.945 116.945 115.651 1.294 25753
2304 1 10 . 1 1 14 14 SER HA H 14 4.119 4.119 4.242 -0.123 25753
2305 1 10 . 1 1 14 14 SER CA C 14 61.050 61.050 61.703 -0.653 25753
2306 1 10 . 1 1 14 14 SER CB C 14 61.239 61.239 62.839 -1.600 25753
2307 1 10 . 1 1 14 14 SER H H 14 8.387 8.387 8.323 0.064 25753
2308 1 10 . 1 1 15 15 LYS N N 15 121.073 121.073 121.799 -0.726 25753
2309 1 10 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.147 -0.078 25753
2310 1 10 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.628 0.672 25753
2311 1 10 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.141 -0.906 25753
2312 1 10 . 1 1 15 15 LYS H H 15 7.821 7.821 8.330 -0.509 25753
2313 1 10 . 1 1 16 16 CYS N N 16 115.469 115.469 118.842 -3.373 25753
2314 1 10 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.258 0.478 25753
2315 1 10 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.853 -3.053 25753
2316 1 10 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.925 14.329 25753
2317 1 10 . 1 1 16 16 CYS H H 16 7.844 7.844 7.725 0.119 25753
2318 1 10 . 1 1 17 17 GLN N N 17 115.128 115.128 117.244 -2.116 25753
2319 1 10 . 1 1 17 17 GLN HA H 17 4.213 4.213 3.991 0.222 25753
2320 1 10 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.470 -1.370 25753
2321 1 10 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.897 -0.297 25753
2322 1 10 . 1 1 17 17 GLN H H 17 7.381 7.381 7.493 -0.112 25753
2323 1 10 . 1 1 18 18 LEU N N 18 120.972 120.972 119.735 1.237 25753
2324 1 10 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.536 -0.030 25753
2325 1 10 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.445 -0.145 25753
2326 1 10 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.231 -0.137 25753
2327 1 10 . 1 1 18 18 LEU H H 18 7.286 7.286 7.554 -0.268 25753
2328 1 10 . 1 1 19 19 ALA N N 19 127.694 127.694 128.860 -1.166 25753
2329 1 10 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.989 0.126 25753
2330 1 10 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.528 -1.928 25753
2331 1 10 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.458 -0.558 25753
2332 1 10 . 1 1 19 19 ALA H H 19 8.556 8.556 8.954 -0.398 25753
2333 1 10 . 1 1 20 20 ASN N N 20 116.006 116.006 115.215 0.791 25753
2334 1 10 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.380 0.247 25753
2335 1 10 . 1 1 20 20 ASN CA C 20 54.700 54.700 56.426 -1.726 25753
2336 1 10 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.749 1.244 25753
2337 1 10 . 1 1 20 20 ASN H H 20 9.044 9.044 8.758 0.286 25753
2338 1 10 . 1 1 21 21 GLN N N 21 122.731 122.731 120.523 2.208 25753
2339 1 10 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.260 -0.429 25753
2340 1 10 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.241 -0.041 25753
2341 1 10 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.704 0.386 25753
2342 1 10 . 1 1 21 21 GLN H H 21 7.662 7.662 7.408 0.254 25753
2343 1 10 . 1 1 22 22 CYS N N 22 118.925 118.925 120.018 -1.093 25753
2344 1 10 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.103 0.160 25753
2345 1 10 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.682 -5.582 25753
2346 1 10 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.356 12.144 25753
2347 1 10 . 1 1 22 22 CYS H H 22 8.475 8.475 7.829 0.646 25753
2348 1 10 . 1 1 23 23 ASN N N 23 118.714 118.714 118.120 0.594 25753
2349 1 10 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.501 -0.695 25753
2350 1 10 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.038 0.362 25753
2351 1 10 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.564 0.467 25753
2352 1 10 . 1 1 23 23 ASN H H 23 7.972 7.972 8.222 -0.250 25753
2353 1 10 . 1 1 24 24 TYR N N 24 117.828 117.828 120.030 -2.202 25753
2354 1 10 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.125 -0.211 25753
2355 1 10 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.465 -0.265 25753
2356 1 10 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.444 -0.361 25753
2357 1 10 . 1 1 24 24 TYR H H 24 8.107 8.107 7.883 0.224 25753
2358 1 10 . 1 1 25 25 ASP N N 25 119.620 119.620 117.242 2.378 25753
2359 1 10 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.403 0.226 25753
2360 1 10 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.772 0.629 25753
2361 1 10 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.972 -1.672 25753
2362 1 10 . 1 1 25 25 ASP H H 25 9.064 9.064 8.387 0.677 25753
2363 1 10 . 1 1 26 26 CYS N N 26 120.031 120.031 120.395 -0.364 25753
2364 1 10 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753
2365 1 10 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.660 -1.460 25753
2366 1 10 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.521 10.079 25753
2367 1 10 . 1 1 26 26 CYS H H 26 9.280 9.280 8.407 0.873 25753
2368 1 10 . 1 1 27 27 LYS N N 27 119.838 119.838 118.980 0.858 25753
2369 1 10 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.215 -0.111 25753
2370 1 10 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753
2371 1 10 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.047 0.153 25753
2372 1 10 . 1 1 27 27 LYS H H 27 7.646 7.646 8.399 -0.753 25753
2373 1 10 . 1 1 28 28 LEU N N 28 119.791 119.791 121.245 -1.454 25753
2374 1 10 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.375 -0.340 25753
2375 1 10 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.608 -0.408 25753
2376 1 10 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.780 -0.788 25753
2377 1 10 . 1 1 28 28 LEU H H 28 8.257 8.257 7.895 0.362 25753
2378 1 10 . 1 1 29 29 ASP N N 29 116.737 116.737 119.619 -2.882 25753
2379 1 10 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.665 -0.189 25753
2380 1 10 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.252 -0.655 25753
2381 1 10 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.434 -1.134 25753
2382 1 10 . 1 1 29 29 ASP H H 29 8.977 8.977 8.562 0.415 25753
2383 1 10 . 1 1 30 30 LYS N N 30 111.907 111.907 116.520 -4.613 25753
2384 1 10 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.329 0.152 25753
2385 1 10 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.321 -3.342 25753
2386 1 10 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.132 -1.648 25753
2387 1 10 . 1 1 30 30 LYS H H 30 6.618 6.618 7.803 -1.185 25753
2388 1 10 . 1 1 31 31 HIS N N 31 112.966 112.966 116.021 -3.055 25753
2389 1 10 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.287 0.255 25753
2390 1 10 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.670 -0.770 25753
2391 1 10 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.402 -2.935 25753
2392 1 10 . 1 1 31 31 HIS H H 31 7.013 7.013 7.951 -0.938 25753
2393 1 10 . 1 1 32 32 ALA N N 32 120.001 120.001 120.111 -0.110 25753
2394 1 10 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.954 0.101 25753
2395 1 10 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.973 -1.573 25753
2396 1 10 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.555 -0.655 25753
2397 1 10 . 1 1 32 32 ALA H H 32 7.644 7.644 7.321 0.323 25753
2398 1 10 . 1 1 33 33 ARG N N 33 116.588 116.588 120.355 -3.767 25753
2399 1 10 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.970 0.167 25753
2400 1 10 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.001 -1.103 25753
2401 1 10 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.702 -0.315 25753
2402 1 10 . 1 1 33 33 ARG H H 33 8.254 8.254 8.393 -0.139 25753
2403 1 10 . 1 1 34 34 SER N N 34 109.178 109.178 108.806 0.372 25753
2404 1 10 . 1 1 34 34 SER HA H 34 4.593 4.593 4.664 -0.071 25753
2405 1 10 . 1 1 34 34 SER CA C 34 57.500 57.500 57.429 0.071 25753
2406 1 10 . 1 1 34 34 SER CB C 34 64.825 64.825 66.592 -1.767 25753
2407 1 10 . 1 1 34 34 SER H H 34 7.989 7.989 7.506 0.483 25753
2408 1 10 . 1 1 35 35 GLY N N 35 107.345 107.345 106.678 0.667 25753
2409 1 10 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.838 0.862 25753
2410 1 10 . 1 1 35 35 GLY H H 35 8.633 8.633 8.835 -0.202 25753
2411 1 10 . 1 1 36 36 GLU N N 36 118.288 118.288 121.431 -3.143 25753
2412 1 10 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.722 -0.430 25753
2413 1 10 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.075 1.125 25753
2414 1 10 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.677 -2.013 25753
2415 1 10 . 1 1 36 36 GLU H H 36 8.236 8.236 8.363 -0.127 25753
2416 1 10 . 1 1 37 37 CYS N N 37 120.776 120.776 118.499 2.277 25753
2417 1 10 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.885 1.118 25753
2418 1 10 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.242 -2.042 25753
2419 1 10 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.541 17.159 25753
2420 1 10 . 1 1 37 37 CYS H H 37 8.856 8.856 8.440 0.416 25753
2421 1 10 . 1 1 38 38 PHE N N 38 121.520 121.520 121.206 0.314 25753
2422 1 10 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753
2423 1 10 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.012 1.488 25753
2424 1 10 . 1 1 38 38 PHE CB C 38 43.013 43.013 41.971 1.042 25753
2425 1 10 . 1 1 38 38 PHE H H 38 9.082 9.082 8.982 0.100 25753
2426 1 10 . 1 1 39 39 TYR N N 39 122.581 122.581 121.366 1.215 25753
2427 1 10 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.661 -0.049 25753
2428 1 10 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.403 0.397 25753
2429 1 10 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.599 0.501 25753
2430 1 10 . 1 1 39 39 TYR H H 39 8.683 8.683 8.775 -0.092 25753
2431 1 10 . 1 1 40 40 LYS N N 40 126.022 126.022 125.375 0.647 25753
2432 1 10 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.631 -0.312 25753
2433 1 10 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.011 0.689 25753
2434 1 10 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.045 -1.246 25753
2435 1 10 . 1 1 40 40 LYS H H 40 8.319 8.319 8.355 -0.036 25753
2436 1 10 . 1 1 41 41 GLU N N 41 120.017 120.017 118.107 1.910 25753
2437 1 10 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.058 0.069 25753
2438 1 10 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.883 -1.083 25753
2439 1 10 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.345 -0.282 25753
2440 1 10 . 1 1 41 41 GLU H H 41 8.657 8.657 8.520 0.137 25753
2441 1 10 . 1 1 42 42 LYS N N 42 116.887 116.887 121.347 -4.460 25753
2442 1 10 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.153 -0.361 25753
2443 1 10 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.328 -0.628 25753
2444 1 10 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.438 -1.638 25753
2445 1 10 . 1 1 42 42 LYS H H 42 8.468 8.468 8.474 -0.006 25753
2446 1 10 . 1 1 43 43 ARG N N 43 115.559 115.559 115.387 0.172 25753
2447 1 10 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.456 -0.230 25753
2448 1 10 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.693 0.307 25753
2449 1 10 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.332 -1.532 25753
2450 1 10 . 1 1 43 43 ARG H H 43 8.165 8.165 8.313 -0.148 25753
2451 1 10 . 1 1 44 44 ASN N N 44 117.868 117.868 118.684 -0.816 25753
2452 1 10 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.649 0.232 25753
2453 1 10 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.890 -1.490 25753
2454 1 10 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.182 0.018 25753
2455 1 10 . 1 1 44 44 ASN H H 44 7.983 7.983 8.176 -0.193 25753
2456 1 10 . 1 1 45 45 LEU N N 45 125.712 125.712 121.623 4.089 25753
2457 1 10 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.631 -0.325 25753
2458 1 10 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.679 1.421 25753
2459 1 10 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.607 -2.540 25753
2460 1 10 . 1 1 45 45 LEU H H 45 8.193 8.193 8.368 -0.175 25753
2461 1 10 . 1 1 46 46 GLN N N 46 120.613 120.613 119.582 1.031 25753
2462 1 10 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.661 0.004 25753
2463 1 10 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.430 -0.430 25753
2464 1 10 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.115 -1.155 25753
2465 1 10 . 1 1 46 46 GLN H H 46 8.425 8.425 8.217 0.208 25753
2466 1 10 . 1 1 47 47 CYS N N 47 122.193 122.193 121.455 0.738 25753
2467 1 10 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.874 -0.071 25753
2468 1 10 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.514 -3.814 25753
2469 1 10 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.592 10.408 25753
2470 1 10 . 1 1 47 47 CYS H H 47 9.198 9.198 8.947 0.251 25753
2471 1 10 . 1 1 48 48 ILE N N 48 129.093 129.093 125.502 3.591 25753
2472 1 10 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.710 -0.410 25753
2473 1 10 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.924 0.276 25753
2474 1 10 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.707 -2.607 25753
2475 1 10 . 1 1 48 48 ILE H H 48 8.696 8.696 8.317 0.379 25753
2476 1 10 . 1 1 49 49 CYS N N 49 126.279 126.279 124.449 1.830 25753
2477 1 10 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.432 0.835 25753
2478 1 10 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.997 -7.610 25753
2479 1 10 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.277 6.270 25753
2480 1 10 . 1 1 49 49 CYS H H 49 8.555 8.555 8.932 -0.377 25753
2481 1 10 . 1 1 50 50 ASP N N 50 122.491 122.491 119.504 2.987 25753
2482 1 10 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.872 0.591 25753
2483 1 10 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.515 -1.415 25753
2484 1 10 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.498 -1.452 25753
2485 1 10 . 1 1 50 50 ASP H H 50 8.813 8.813 8.349 0.464 25753
2486 1 10 . 1 1 51 51 TYR N N 51 124.921 124.921 120.746 4.175 25753
2487 1 10 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.806 -0.606 25753
2488 1 10 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.121 1.979 25753
2489 1 10 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.083 -0.583 25753
2490 1 10 . 1 1 51 51 TYR H H 51 9.633 9.633 8.484 1.149 25753
2491 1 10 . 1 1 52 52 CYS N N 52 120.435 120.435 118.157 2.278 25753
2492 1 10 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.787 -0.373 25753
2493 1 10 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.326 -3.526 25753
2494 1 10 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.234 13.766 25753
2495 1 10 . 1 1 52 52 CYS H H 52 9.550 9.550 8.188 1.362 25753
2496 1 10 . 1 1 53 53 GLU N N 53 120.972 120.972 120.549 0.423 25753
2497 1 10 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.560 -0.313 25753
2498 1 10 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.740 -0.440 25753
2499 1 10 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.460 -0.387 25753
2500 1 10 . 1 1 53 53 GLU H H 53 8.335 8.335 8.371 -0.036 25753
2501 1 11 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.159 0.111 25753
2502 1 11 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.420 -0.209 25753
2503 1 11 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.479 -0.157 25753
2504 1 11 . 1 1 3 3 LYS H H 3 8.214 8.214 8.136 0.078 25753
2505 1 11 . 1 1 4 4 CYS N N 4 116.570 116.570 118.948 -2.378 25753
2506 1 11 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.319 0.375 25753
2507 1 11 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.510 -3.738 25753
2508 1 11 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.348 14.252 25753
2509 1 11 . 1 1 4 4 CYS H H 4 8.430 8.430 8.442 -0.012 25753
2510 1 11 . 1 1 5 5 LYS N N 5 118.500 118.500 120.192 -1.692 25753
2511 1 11 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.490 1.012 25753
2512 1 11 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.333 -1.767 25753
2513 1 11 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.507 0.793 25753
2514 1 11 . 1 1 5 5 LYS H H 5 7.965 7.965 7.926 0.039 25753
2515 1 11 . 1 1 6 6 LYS N N 6 121.002 121.002 123.036 -2.034 25753
2516 1 11 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.527 0.186 25753
2517 1 11 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.782 1.218 25753
2518 1 11 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.558 1.015 25753
2519 1 11 . 1 1 6 6 LYS H H 6 8.980 8.980 7.793 1.187 25753
2520 1 11 . 1 1 7 7 VAL N N 7 127.157 127.157 124.667 2.490 25753
2521 1 11 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.924 -0.011 25753
2522 1 11 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.654 1.746 25753
2523 1 11 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.466 0.198 25753
2524 1 11 . 1 1 7 7 VAL H H 7 8.756 8.756 8.502 0.254 25753
2525 1 11 . 1 1 8 8 TYR N N 8 129.707 129.707 130.082 -0.375 25753
2526 1 11 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.344 0.039 25753
2527 1 11 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.759 -3.609 25753
2528 1 11 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.898 -4.277 25753
2529 1 11 . 1 1 8 8 TYR H H 8 9.160 9.160 8.138 1.022 25753
2530 1 11 . 1 1 9 9 GLU N N 9 130.601 130.601 123.039 7.562 25753
2531 1 11 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753
2532 1 11 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.911 -1.013 25753
2533 1 11 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.044 -1.031 25753
2534 1 11 . 1 1 9 9 GLU H H 9 8.964 8.964 8.893 0.071 25753
2535 1 11 . 1 1 10 10 ASN N N 10 115.766 115.766 113.335 2.431 25753
2536 1 11 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.791 -0.426 25753
2537 1 11 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.408 0.792 25753
2538 1 11 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.431 -1.471 25753
2539 1 11 . 1 1 10 10 ASN H H 10 9.232 9.232 8.282 0.950 25753
2540 1 11 . 1 1 11 11 TYR N N 11 122.267 122.267 121.953 0.314 25753
2541 1 11 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.763 -0.628 25753
2542 1 11 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.835 2.112 25753
2543 1 11 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.713 -0.608 25753
2544 1 11 . 1 1 11 11 TYR H H 11 7.473 7.473 8.261 -0.788 25753
2545 1 11 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.576 -0.144 25753
2546 1 11 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.745 -0.898 25753
2547 1 11 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.710 -2.460 25753
2548 1 11 . 1 1 13 13 VAL N N 13 123.595 123.595 124.783 -1.188 25753
2549 1 11 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753
2550 1 11 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.361 0.139 25753
2551 1 11 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.890 -0.778 25753
2552 1 11 . 1 1 13 13 VAL H H 13 8.102 8.102 8.568 -0.466 25753
2553 1 11 . 1 1 14 14 SER N N 14 116.945 116.945 115.592 1.353 25753
2554 1 11 . 1 1 14 14 SER HA H 14 4.119 4.119 4.296 -0.177 25753
2555 1 11 . 1 1 14 14 SER CA C 14 61.050 61.050 61.352 -0.302 25753
2556 1 11 . 1 1 14 14 SER CB C 14 61.239 61.239 62.791 -1.552 25753
2557 1 11 . 1 1 14 14 SER H H 14 8.387 8.387 8.222 0.165 25753
2558 1 11 . 1 1 15 15 LYS N N 15 121.073 121.073 121.968 -0.895 25753
2559 1 11 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.121 -0.052 25753
2560 1 11 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.776 0.524 25753
2561 1 11 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.061 -0.826 25753
2562 1 11 . 1 1 15 15 LYS H H 15 7.821 7.821 8.380 -0.559 25753
2563 1 11 . 1 1 16 16 CYS N N 16 115.469 115.469 118.652 -3.183 25753
2564 1 11 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.309 0.427 25753
2565 1 11 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.877 -3.077 25753
2566 1 11 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.942 14.312 25753
2567 1 11 . 1 1 16 16 CYS H H 16 7.844 7.844 7.624 0.220 25753
2568 1 11 . 1 1 17 17 GLN N N 17 115.128 115.128 117.176 -2.048 25753
2569 1 11 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.030 0.183 25753
2570 1 11 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.461 -1.361 25753
2571 1 11 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.953 -0.353 25753
2572 1 11 . 1 1 17 17 GLN H H 17 7.381 7.381 7.499 -0.118 25753
2573 1 11 . 1 1 18 18 LEU N N 18 120.972 120.972 119.416 1.556 25753
2574 1 11 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.557 -0.051 25753
2575 1 11 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.336 -0.036 25753
2576 1 11 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.652 -0.558 25753
2577 1 11 . 1 1 18 18 LEU H H 18 7.286 7.286 7.587 -0.301 25753
2578 1 11 . 1 1 19 19 ALA N N 19 127.694 127.694 128.460 -0.766 25753
2579 1 11 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.055 0.060 25753
2580 1 11 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.705 -2.105 25753
2581 1 11 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.537 -0.637 25753
2582 1 11 . 1 1 19 19 ALA H H 19 8.556 8.556 8.963 -0.407 25753
2583 1 11 . 1 1 20 20 ASN N N 20 116.006 116.006 114.786 1.220 25753
2584 1 11 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.458 0.170 25753
2585 1 11 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.816 -1.115 25753
2586 1 11 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.482 1.511 25753
2587 1 11 . 1 1 20 20 ASN H H 20 9.044 9.044 8.767 0.277 25753
2588 1 11 . 1 1 21 21 GLN N N 21 122.731 122.731 120.483 2.248 25753
2589 1 11 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.236 -0.405 25753
2590 1 11 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.223 -0.023 25753
2591 1 11 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.597 0.493 25753
2592 1 11 . 1 1 21 21 GLN H H 21 7.662 7.662 7.407 0.255 25753
2593 1 11 . 1 1 22 22 CYS N N 22 118.925 118.925 119.831 -0.906 25753
2594 1 11 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.139 0.124 25753
2595 1 11 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.662 -5.562 25753
2596 1 11 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.376 12.124 25753
2597 1 11 . 1 1 22 22 CYS H H 22 8.475 8.475 7.853 0.622 25753
2598 1 11 . 1 1 23 23 ASN N N 23 118.714 118.714 118.193 0.521 25753
2599 1 11 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.480 -0.674 25753
2600 1 11 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.005 0.395 25753
2601 1 11 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.568 0.463 25753
2602 1 11 . 1 1 23 23 ASN H H 23 7.972 7.972 8.245 -0.273 25753
2603 1 11 . 1 1 24 24 TYR N N 24 117.828 117.828 120.228 -2.400 25753
2604 1 11 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.131 -0.217 25753
2605 1 11 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.429 -0.229 25753
2606 1 11 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.396 -0.313 25753
2607 1 11 . 1 1 24 24 TYR H H 24 8.107 8.107 7.906 0.201 25753
2608 1 11 . 1 1 25 25 ASP N N 25 119.620 119.620 117.181 2.439 25753
2609 1 11 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.327 0.302 25753
2610 1 11 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.745 0.655 25753
2611 1 11 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.885 -1.585 25753
2612 1 11 . 1 1 25 25 ASP H H 25 9.064 9.064 8.419 0.645 25753
2613 1 11 . 1 1 26 26 CYS N N 26 120.031 120.031 120.386 -0.355 25753
2614 1 11 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.223 -0.118 25753
2615 1 11 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.643 -1.443 25753
2616 1 11 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.540 10.060 25753
2617 1 11 . 1 1 26 26 CYS H H 26 9.280 9.280 8.356 0.924 25753
2618 1 11 . 1 1 27 27 LYS N N 27 119.838 119.838 119.043 0.795 25753
2619 1 11 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.298 -0.194 25753
2620 1 11 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.105 1.195 25753
2621 1 11 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.118 0.082 25753
2622 1 11 . 1 1 27 27 LYS H H 27 7.646 7.646 8.473 -0.827 25753
2623 1 11 . 1 1 28 28 LEU N N 28 119.791 119.791 121.201 -1.410 25753
2624 1 11 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.112 -0.077 25753
2625 1 11 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.550 -0.350 25753
2626 1 11 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.816 -0.823 25753
2627 1 11 . 1 1 28 28 LEU H H 28 8.257 8.257 7.824 0.433 25753
2628 1 11 . 1 1 29 29 ASP N N 29 116.737 116.737 118.387 -1.650 25753
2629 1 11 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.638 -0.162 25753
2630 1 11 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.254 -0.657 25753
2631 1 11 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.662 -1.362 25753
2632 1 11 . 1 1 29 29 ASP H H 29 8.977 8.977 8.564 0.413 25753
2633 1 11 . 1 1 30 30 LYS N N 30 111.907 111.907 116.508 -4.601 25753
2634 1 11 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.312 0.169 25753
2635 1 11 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.844 -2.865 25753
2636 1 11 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.933 -1.449 25753
2637 1 11 . 1 1 30 30 LYS H H 30 6.618 6.618 7.816 -1.198 25753
2638 1 11 . 1 1 31 31 HIS N N 31 112.966 112.966 115.818 -2.852 25753
2639 1 11 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.279 0.263 25753
2640 1 11 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.073 -0.173 25753
2641 1 11 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.403 -2.936 25753
2642 1 11 . 1 1 31 31 HIS H H 31 7.013 7.013 7.878 -0.865 25753
2643 1 11 . 1 1 32 32 ALA N N 32 120.001 120.001 119.809 0.192 25753
2644 1 11 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.879 0.176 25753
2645 1 11 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.540 -1.140 25753
2646 1 11 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.889 -0.989 25753
2647 1 11 . 1 1 32 32 ALA H H 32 7.644 7.644 7.302 0.342 25753
2648 1 11 . 1 1 33 33 ARG N N 33 116.588 116.588 120.441 -3.853 25753
2649 1 11 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.028 0.109 25753
2650 1 11 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.782 -0.884 25753
2651 1 11 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.767 -0.380 25753
2652 1 11 . 1 1 33 33 ARG H H 33 8.254 8.254 8.375 -0.121 25753
2653 1 11 . 1 1 34 34 SER N N 34 109.178 109.178 109.298 -0.120 25753
2654 1 11 . 1 1 34 34 SER HA H 34 4.593 4.593 5.060 -0.467 25753
2655 1 11 . 1 1 34 34 SER CA C 34 57.500 57.500 57.255 0.245 25753
2656 1 11 . 1 1 34 34 SER CB C 34 64.825 64.825 67.028 -2.203 25753
2657 1 11 . 1 1 34 34 SER H H 34 7.989 7.989 7.628 0.361 25753
2658 1 11 . 1 1 35 35 GLY N N 35 107.345 107.345 106.955 0.390 25753
2659 1 11 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.933 0.767 25753
2660 1 11 . 1 1 35 35 GLY H H 35 8.633 8.633 8.450 0.183 25753
2661 1 11 . 1 1 36 36 GLU N N 36 118.288 118.288 122.119 -3.831 25753
2662 1 11 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.845 -0.553 25753
2663 1 11 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.405 0.795 25753
2664 1 11 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.679 -2.015 25753
2665 1 11 . 1 1 36 36 GLU H H 36 8.236 8.236 8.669 -0.433 25753
2666 1 11 . 1 1 37 37 CYS N N 37 120.776 120.776 118.982 1.794 25753
2667 1 11 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.143 0.860 25753
2668 1 11 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.648 -2.448 25753
2669 1 11 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.527 17.173 25753
2670 1 11 . 1 1 37 37 CYS H H 37 8.856 8.856 8.675 0.181 25753
2671 1 11 . 1 1 38 38 PHE N N 38 121.520 121.520 122.165 -0.645 25753
2672 1 11 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.856 -0.169 25753
2673 1 11 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.655 0.845 25753
2674 1 11 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.388 0.625 25753
2675 1 11 . 1 1 38 38 PHE H H 38 9.082 9.082 9.182 -0.100 25753
2676 1 11 . 1 1 39 39 TYR N N 39 122.581 122.581 122.149 0.432 25753
2677 1 11 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.707 -0.095 25753
2678 1 11 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.267 0.532 25753
2679 1 11 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.915 0.185 25753
2680 1 11 . 1 1 39 39 TYR H H 39 8.683 8.683 8.600 0.083 25753
2681 1 11 . 1 1 40 40 LYS N N 40 126.022 126.022 125.101 0.921 25753
2682 1 11 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753
2683 1 11 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.818 0.882 25753
2684 1 11 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.321 -1.521 25753
2685 1 11 . 1 1 40 40 LYS H H 40 8.319 8.319 8.441 -0.122 25753
2686 1 11 . 1 1 41 41 GLU N N 41 120.017 120.017 118.871 1.146 25753
2687 1 11 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.102 0.025 25753
2688 1 11 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.224 -1.424 25753
2689 1 11 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.910 -0.847 25753
2690 1 11 . 1 1 41 41 GLU H H 41 8.657 8.657 8.629 0.028 25753
2691 1 11 . 1 1 42 42 LYS N N 42 116.887 116.887 120.224 -3.337 25753
2692 1 11 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.209 -0.417 25753
2693 1 11 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.133 -0.433 25753
2694 1 11 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.589 -1.789 25753
2695 1 11 . 1 1 42 42 LYS H H 42 8.468 8.468 8.413 0.055 25753
2696 1 11 . 1 1 43 43 ARG N N 43 115.559 115.559 115.024 0.535 25753
2697 1 11 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.557 -0.331 25753
2698 1 11 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.946 0.055 25753
2699 1 11 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.880 -2.080 25753
2700 1 11 . 1 1 43 43 ARG H H 43 8.165 8.165 7.810 0.355 25753
2701 1 11 . 1 1 44 44 ASN N N 44 117.868 117.868 119.352 -1.484 25753
2702 1 11 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.612 0.269 25753
2703 1 11 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.076 -1.676 25753
2704 1 11 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.313 -0.113 25753
2705 1 11 . 1 1 44 44 ASN H H 44 7.983 7.983 7.897 0.086 25753
2706 1 11 . 1 1 45 45 LEU N N 45 125.712 125.712 121.469 4.243 25753
2707 1 11 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.617 -0.311 25753
2708 1 11 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.706 1.395 25753
2709 1 11 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.766 -2.699 25753
2710 1 11 . 1 1 45 45 LEU H H 45 8.193 8.193 8.348 -0.155 25753
2711 1 11 . 1 1 46 46 GLN N N 46 120.613 120.613 119.508 1.105 25753
2712 1 11 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.676 -0.011 25753
2713 1 11 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.187 -0.187 25753
2714 1 11 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.076 -1.115 25753
2715 1 11 . 1 1 46 46 GLN H H 46 8.425 8.425 8.596 -0.171 25753
2716 1 11 . 1 1 47 47 CYS N N 47 122.193 122.193 121.051 1.142 25753
2717 1 11 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.868 -0.065 25753
2718 1 11 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.603 -3.903 25753
2719 1 11 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.916 10.084 25753
2720 1 11 . 1 1 47 47 CYS H H 47 9.198 9.198 8.939 0.259 25753
2721 1 11 . 1 1 48 48 ILE N N 48 129.093 129.093 125.671 3.422 25753
2722 1 11 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.695 -0.395 25753
2723 1 11 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.714 0.486 25753
2724 1 11 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.566 -2.466 25753
2725 1 11 . 1 1 48 48 ILE H H 48 8.696 8.696 9.023 -0.327 25753
2726 1 11 . 1 1 49 49 CYS N N 49 126.279 126.279 123.980 2.299 25753
2727 1 11 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.519 0.748 25753
2728 1 11 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.728 -7.341 25753
2729 1 11 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.683 5.864 25753
2730 1 11 . 1 1 49 49 CYS H H 49 8.555 8.555 8.977 -0.422 25753
2731 1 11 . 1 1 50 50 ASP N N 50 122.491 122.491 118.890 3.601 25753
2732 1 11 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.918 0.545 25753
2733 1 11 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.948 -1.848 25753
2734 1 11 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.602 -1.556 25753
2735 1 11 . 1 1 50 50 ASP H H 50 8.813 8.813 8.509 0.304 25753
2736 1 11 . 1 1 51 51 TYR N N 51 124.921 124.921 123.688 1.233 25753
2737 1 11 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753
2738 1 11 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.015 2.085 25753
2739 1 11 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.159 0.341 25753
2740 1 11 . 1 1 51 51 TYR H H 51 9.633 9.633 7.924 1.709 25753
2741 1 11 . 1 1 52 52 CYS N N 52 120.435 120.435 116.229 4.206 25753
2742 1 11 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.923 -0.509 25753
2743 1 11 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.800 -3.000 25753
2744 1 11 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.183 13.817 25753
2745 1 11 . 1 1 52 52 CYS H H 52 9.550 9.550 8.580 0.970 25753
2746 1 11 . 1 1 53 53 GLU N N 53 120.972 120.972 118.821 2.151 25753
2747 1 11 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.543 -0.296 25753
2748 1 11 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.193 -0.893 25753
2749 1 11 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.871 0.202 25753
2750 1 11 . 1 1 53 53 GLU H H 53 8.335 8.335 8.349 -0.014 25753
2751 1 12 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.307 -0.037 25753
2752 1 12 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.130 0.081 25753
2753 1 12 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.979 -0.657 25753
2754 1 12 . 1 1 3 3 LYS H H 3 8.214 8.214 8.500 -0.286 25753
2755 1 12 . 1 1 4 4 CYS N N 4 116.570 116.570 117.645 -1.075 25753
2756 1 12 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.311 0.383 25753
2757 1 12 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.312 -3.540 25753
2758 1 12 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.786 14.814 25753
2759 1 12 . 1 1 4 4 CYS H H 4 8.430 8.430 8.568 -0.138 25753
2760 1 12 . 1 1 5 5 LYS N N 5 118.500 118.500 117.817 0.683 25753
2761 1 12 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.575 0.927 25753
2762 1 12 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.221 -1.655 25753
2763 1 12 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.790 0.510 25753
2764 1 12 . 1 1 5 5 LYS H H 5 7.965 7.965 7.847 0.118 25753
2765 1 12 . 1 1 6 6 LYS N N 6 121.002 121.002 122.041 -1.039 25753
2766 1 12 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.508 0.205 25753
2767 1 12 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.249 -0.249 25753
2768 1 12 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.235 1.338 25753
2769 1 12 . 1 1 6 6 LYS H H 6 8.980 8.980 7.878 1.102 25753
2770 1 12 . 1 1 7 7 VAL N N 7 127.157 127.157 124.990 2.167 25753
2771 1 12 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.891 0.022 25753
2772 1 12 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.954 1.446 25753
2773 1 12 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.553 0.111 25753
2774 1 12 . 1 1 7 7 VAL H H 7 8.756 8.756 8.476 0.280 25753
2775 1 12 . 1 1 8 8 TYR N N 8 129.707 129.707 129.619 0.088 25753
2776 1 12 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.372 0.011 25753
2777 1 12 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.774 -3.624 25753
2778 1 12 . 1 1 8 8 TYR CB C 8 35.621 35.621 40.021 -4.400 25753
2779 1 12 . 1 1 8 8 TYR H H 8 9.160 9.160 8.154 1.006 25753
2780 1 12 . 1 1 9 9 GLU N N 9 130.601 130.601 123.030 7.571 25753
2781 1 12 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.092 0.028 25753
2782 1 12 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.723 -0.825 25753
2783 1 12 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.945 -0.931 25753
2784 1 12 . 1 1 9 9 GLU H H 9 8.964 8.964 8.804 0.160 25753
2785 1 12 . 1 1 10 10 ASN N N 10 115.766 115.766 114.421 1.345 25753
2786 1 12 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.822 -0.457 25753
2787 1 12 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.235 0.965 25753
2788 1 12 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.744 -1.784 25753
2789 1 12 . 1 1 10 10 ASN H H 10 9.232 9.232 8.308 0.924 25753
2790 1 12 . 1 1 11 11 TYR N N 11 122.267 122.267 123.654 -1.387 25753
2791 1 12 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.786 -0.651 25753
2792 1 12 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.219 1.728 25753
2793 1 12 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.658 -0.553 25753
2794 1 12 . 1 1 11 11 TYR H H 11 7.473 7.473 8.532 -1.059 25753
2795 1 12 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.542 -0.110 25753
2796 1 12 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.707 -0.860 25753
2797 1 12 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.840 -2.590 25753
2798 1 12 . 1 1 13 13 VAL N N 13 123.595 123.595 124.913 -1.318 25753
2799 1 12 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.703 0.051 25753
2800 1 12 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.247 0.253 25753
2801 1 12 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.754 -0.643 25753
2802 1 12 . 1 1 13 13 VAL H H 13 8.102 8.102 8.602 -0.500 25753
2803 1 12 . 1 1 14 14 SER N N 14 116.945 116.945 115.766 1.179 25753
2804 1 12 . 1 1 14 14 SER HA H 14 4.119 4.119 4.241 -0.122 25753
2805 1 12 . 1 1 14 14 SER CA C 14 61.050 61.050 61.275 -0.225 25753
2806 1 12 . 1 1 14 14 SER CB C 14 61.239 61.239 62.796 -1.557 25753
2807 1 12 . 1 1 14 14 SER H H 14 8.387 8.387 8.332 0.056 25753
2808 1 12 . 1 1 15 15 LYS N N 15 121.073 121.073 122.628 -1.555 25753
2809 1 12 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.210 -0.141 25753
2810 1 12 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.694 0.606 25753
2811 1 12 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.092 -0.857 25753
2812 1 12 . 1 1 15 15 LYS H H 15 7.821 7.821 7.829 -0.008 25753
2813 1 12 . 1 1 16 16 CYS N N 16 115.469 115.469 118.675 -3.206 25753
2814 1 12 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.287 0.449 25753
2815 1 12 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.115 -3.315 25753
2816 1 12 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.929 14.325 25753
2817 1 12 . 1 1 16 16 CYS H H 16 7.844 7.844 7.625 0.219 25753
2818 1 12 . 1 1 17 17 GLN N N 17 115.128 115.128 117.282 -2.154 25753
2819 1 12 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.036 0.177 25753
2820 1 12 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.648 -1.548 25753
2821 1 12 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.967 -0.367 25753
2822 1 12 . 1 1 17 17 GLN H H 17 7.381 7.381 7.536 -0.155 25753
2823 1 12 . 1 1 18 18 LEU N N 18 120.972 120.972 119.990 0.982 25753
2824 1 12 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.579 -0.073 25753
2825 1 12 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.186 0.114 25753
2826 1 12 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.252 -0.158 25753
2827 1 12 . 1 1 18 18 LEU H H 18 7.286 7.286 7.819 -0.533 25753
2828 1 12 . 1 1 19 19 ALA N N 19 127.694 127.694 128.873 -1.179 25753
2829 1 12 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.978 0.137 25753
2830 1 12 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.406 -1.806 25753
2831 1 12 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.465 -0.565 25753
2832 1 12 . 1 1 19 19 ALA H H 19 8.556 8.556 8.947 -0.391 25753
2833 1 12 . 1 1 20 20 ASN N N 20 116.006 116.006 113.888 2.118 25753
2834 1 12 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.464 0.164 25753
2835 1 12 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.734 -1.034 25753
2836 1 12 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.866 1.127 25753
2837 1 12 . 1 1 20 20 ASN H H 20 9.044 9.044 8.676 0.368 25753
2838 1 12 . 1 1 21 21 GLN N N 21 122.731 122.731 121.310 1.421 25753
2839 1 12 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.379 -0.548 25753
2840 1 12 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.072 0.128 25753
2841 1 12 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.978 0.112 25753
2842 1 12 . 1 1 21 21 GLN H H 21 7.662 7.662 8.016 -0.354 25753
2843 1 12 . 1 1 22 22 CYS N N 22 118.925 118.925 119.786 -0.861 25753
2844 1 12 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.135 0.128 25753
2845 1 12 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.627 -5.527 25753
2846 1 12 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.492 12.008 25753
2847 1 12 . 1 1 22 22 CYS H H 22 8.475 8.475 7.958 0.517 25753
2848 1 12 . 1 1 23 23 ASN N N 23 118.714 118.714 117.933 0.781 25753
2849 1 12 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.418 -0.612 25753
2850 1 12 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.259 0.141 25753
2851 1 12 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.529 0.502 25753
2852 1 12 . 1 1 23 23 ASN H H 23 7.972 7.972 8.089 -0.117 25753
2853 1 12 . 1 1 24 24 TYR N N 24 117.828 117.828 120.390 -2.562 25753
2854 1 12 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.128 -0.214 25753
2855 1 12 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.264 -0.064 25753
2856 1 12 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.389 -0.305 25753
2857 1 12 . 1 1 24 24 TYR H H 24 8.107 8.107 7.810 0.297 25753
2858 1 12 . 1 1 25 25 ASP N N 25 119.620 119.620 117.487 2.133 25753
2859 1 12 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.296 0.333 25753
2860 1 12 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.913 0.487 25753
2861 1 12 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.447 -1.147 25753
2862 1 12 . 1 1 25 25 ASP H H 25 9.064 9.064 8.589 0.475 25753
2863 1 12 . 1 1 26 26 CYS N N 26 120.031 120.031 120.437 -0.406 25753
2864 1 12 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.260 -0.155 25753
2865 1 12 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.430 -1.230 25753
2866 1 12 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.635 9.965 25753
2867 1 12 . 1 1 26 26 CYS H H 26 9.280 9.280 8.177 1.103 25753
2868 1 12 . 1 1 27 27 LYS N N 27 119.838 119.838 119.099 0.739 25753
2869 1 12 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.222 -0.118 25753
2870 1 12 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.068 1.232 25753
2871 1 12 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.016 0.184 25753
2872 1 12 . 1 1 27 27 LYS H H 27 7.646 7.646 8.506 -0.860 25753
2873 1 12 . 1 1 28 28 LEU N N 28 119.791 119.791 120.960 -1.169 25753
2874 1 12 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.339 -0.304 25753
2875 1 12 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.599 -0.399 25753
2876 1 12 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.740 -0.748 25753
2877 1 12 . 1 1 28 28 LEU H H 28 8.257 8.257 7.462 0.795 25753
2878 1 12 . 1 1 29 29 ASP N N 29 116.737 116.737 119.247 -2.510 25753
2879 1 12 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.662 -0.186 25753
2880 1 12 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.516 -0.918 25753
2881 1 12 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.639 -1.339 25753
2882 1 12 . 1 1 29 29 ASP H H 29 8.977 8.977 8.516 0.461 25753
2883 1 12 . 1 1 30 30 LYS N N 30 111.907 111.907 117.046 -5.139 25753
2884 1 12 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.230 0.251 25753
2885 1 12 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.545 -3.566 25753
2886 1 12 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.999 -1.515 25753
2887 1 12 . 1 1 30 30 LYS H H 30 6.618 6.618 7.743 -1.125 25753
2888 1 12 . 1 1 31 31 HIS N N 31 112.966 112.966 115.784 -2.818 25753
2889 1 12 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.277 0.265 25753
2890 1 12 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.705 -0.805 25753
2891 1 12 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.045 -2.578 25753
2892 1 12 . 1 1 31 31 HIS H H 31 7.013 7.013 7.983 -0.970 25753
2893 1 12 . 1 1 32 32 ALA N N 32 120.001 120.001 119.381 0.620 25753
2894 1 12 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.722 0.333 25753
2895 1 12 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.410 -1.010 25753
2896 1 12 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.779 -0.879 25753
2897 1 12 . 1 1 32 32 ALA H H 32 7.644 7.644 7.204 0.440 25753
2898 1 12 . 1 1 33 33 ARG N N 33 116.588 116.588 119.852 -3.264 25753
2899 1 12 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.935 0.202 25753
2900 1 12 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.651 -0.753 25753
2901 1 12 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.635 -0.248 25753
2902 1 12 . 1 1 33 33 ARG H H 33 8.254 8.254 8.273 -0.019 25753
2903 1 12 . 1 1 34 34 SER N N 34 109.178 109.178 109.485 -0.307 25753
2904 1 12 . 1 1 34 34 SER HA H 34 4.593 4.593 4.713 -0.120 25753
2905 1 12 . 1 1 34 34 SER CA C 34 57.500 57.500 57.337 0.163 25753
2906 1 12 . 1 1 34 34 SER CB C 34 64.825 64.825 66.898 -2.074 25753
2907 1 12 . 1 1 34 34 SER H H 34 7.989 7.989 7.781 0.208 25753
2908 1 12 . 1 1 35 35 GLY N N 35 107.345 107.345 106.918 0.427 25753
2909 1 12 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.768 0.932 25753
2910 1 12 . 1 1 35 35 GLY H H 35 8.633 8.633 8.805 -0.172 25753
2911 1 12 . 1 1 36 36 GLU N N 36 118.288 118.288 122.210 -3.922 25753
2912 1 12 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.901 -0.609 25753
2913 1 12 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.296 0.904 25753
2914 1 12 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.728 -2.064 25753
2915 1 12 . 1 1 36 36 GLU H H 36 8.236 8.236 8.825 -0.589 25753
2916 1 12 . 1 1 37 37 CYS N N 37 120.776 120.776 118.895 1.881 25753
2917 1 12 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.051 0.952 25753
2918 1 12 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.513 -2.313 25753
2919 1 12 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.581 17.119 25753
2920 1 12 . 1 1 37 37 CYS H H 37 8.856 8.856 8.646 0.210 25753
2921 1 12 . 1 1 38 38 PHE N N 38 121.520 121.520 121.729 -0.209 25753
2922 1 12 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.851 -0.164 25753
2923 1 12 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.729 0.771 25753
2924 1 12 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.467 0.546 25753
2925 1 12 . 1 1 38 38 PHE H H 38 9.082 9.082 8.978 0.104 25753
2926 1 12 . 1 1 39 39 TYR N N 39 122.581 122.581 122.063 0.518 25753
2927 1 12 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.714 -0.102 25753
2928 1 12 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.256 0.544 25753
2929 1 12 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.940 0.160 25753
2930 1 12 . 1 1 39 39 TYR H H 39 8.683 8.683 8.644 0.039 25753
2931 1 12 . 1 1 40 40 LYS N N 40 126.022 126.022 124.427 1.595 25753
2932 1 12 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.482 -0.163 25753
2933 1 12 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.847 -0.147 25753
2934 1 12 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.212 -1.412 25753
2935 1 12 . 1 1 40 40 LYS H H 40 8.319 8.319 8.546 -0.227 25753
2936 1 12 . 1 1 41 41 GLU N N 41 120.017 120.017 118.788 1.229 25753
2937 1 12 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.106 0.021 25753
2938 1 12 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.624 -0.824 25753
2939 1 12 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.053 0.010 25753
2940 1 12 . 1 1 41 41 GLU H H 41 8.657 8.657 8.527 0.130 25753
2941 1 12 . 1 1 42 42 LYS N N 42 116.887 116.887 121.463 -4.576 25753
2942 1 12 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.260 -0.468 25753
2943 1 12 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.106 -0.406 25753
2944 1 12 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.556 -1.756 25753
2945 1 12 . 1 1 42 42 LYS H H 42 8.468 8.468 8.315 0.153 25753
2946 1 12 . 1 1 43 43 ARG N N 43 115.559 115.559 116.639 -1.080 25753
2947 1 12 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.438 -0.212 25753
2948 1 12 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.937 0.063 25753
2949 1 12 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.866 -1.065 25753
2950 1 12 . 1 1 43 43 ARG H H 43 8.165 8.165 7.983 0.182 25753
2951 1 12 . 1 1 44 44 ASN N N 44 117.868 117.868 119.377 -1.509 25753
2952 1 12 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.664 0.217 25753
2953 1 12 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.771 -1.371 25753
2954 1 12 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.073 0.127 25753
2955 1 12 . 1 1 44 44 ASN H H 44 7.983 7.983 7.832 0.151 25753
2956 1 12 . 1 1 45 45 LEU N N 45 125.712 125.712 120.905 4.807 25753
2957 1 12 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.586 -0.280 25753
2958 1 12 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.868 1.232 25753
2959 1 12 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.978 -2.911 25753
2960 1 12 . 1 1 45 45 LEU H H 45 8.193 8.193 8.359 -0.166 25753
2961 1 12 . 1 1 46 46 GLN N N 46 120.613 120.613 119.267 1.346 25753
2962 1 12 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.688 -0.023 25753
2963 1 12 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.486 0.513 25753
2964 1 12 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.802 -0.841 25753
2965 1 12 . 1 1 46 46 GLN H H 46 8.425 8.425 8.918 -0.493 25753
2966 1 12 . 1 1 47 47 CYS N N 47 122.193 122.193 120.866 1.327 25753
2967 1 12 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.903 -0.100 25753
2968 1 12 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.675 -3.975 25753
2969 1 12 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.154 9.846 25753
2970 1 12 . 1 1 47 47 CYS H H 47 9.198 9.198 8.906 0.292 25753
2971 1 12 . 1 1 48 48 ILE N N 48 129.093 129.093 124.942 4.151 25753
2972 1 12 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.708 -0.408 25753
2973 1 12 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.558 0.642 25753
2974 1 12 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.856 -2.756 25753
2975 1 12 . 1 1 48 48 ILE H H 48 8.696 8.696 8.581 0.115 25753
2976 1 12 . 1 1 49 49 CYS N N 49 126.279 126.279 124.280 1.999 25753
2977 1 12 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.458 0.809 25753
2978 1 12 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.219 -7.832 25753
2979 1 12 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.370 6.177 25753
2980 1 12 . 1 1 49 49 CYS H H 49 8.555 8.555 8.946 -0.391 25753
2981 1 12 . 1 1 50 50 ASP N N 50 122.491 122.491 118.819 3.672 25753
2982 1 12 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.910 0.553 25753
2983 1 12 . 1 1 50 50 ASP CA C 50 52.100 52.100 54.192 -2.092 25753
2984 1 12 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.706 -1.660 25753
2985 1 12 . 1 1 50 50 ASP H H 50 8.813 8.813 8.662 0.151 25753
2986 1 12 . 1 1 51 51 TYR N N 51 124.921 124.921 120.771 4.150 25753
2987 1 12 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.679 -0.479 25753
2988 1 12 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.737 1.363 25753
2989 1 12 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.333 -0.833 25753
2990 1 12 . 1 1 51 51 TYR H H 51 9.633 9.633 8.656 0.977 25753
2991 1 12 . 1 1 52 52 CYS N N 52 120.435 120.435 113.220 7.215 25753
2992 1 12 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.665 -0.251 25753
2993 1 12 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.040 -3.240 25753
2994 1 12 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.531 13.469 25753
2995 1 12 . 1 1 52 52 CYS H H 52 9.550 9.550 7.714 1.836 25753
2996 1 12 . 1 1 53 53 GLU N N 53 120.972 120.972 120.376 0.596 25753
2997 1 12 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.465 -0.218 25753
2998 1 12 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.252 -0.952 25753
2999 1 12 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.148 0.925 25753
3000 1 12 . 1 1 53 53 GLU H H 53 8.335 8.335 8.122 0.213 25753
3001 1 13 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.366 -0.096 25753
3002 1 13 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.504 0.707 25753
3003 1 13 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.460 -1.138 25753
3004 1 13 . 1 1 3 3 LYS H H 3 8.214 8.214 7.769 0.445 25753
3005 1 13 . 1 1 4 4 CYS N N 4 116.570 116.570 121.426 -4.856 25753
3006 1 13 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.361 0.333 25753
3007 1 13 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.976 -3.204 25753
3008 1 13 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.830 13.770 25753
3009 1 13 . 1 1 4 4 CYS H H 4 8.430 8.430 8.733 -0.303 25753
3010 1 13 . 1 1 5 5 LYS N N 5 118.500 118.500 118.175 0.325 25753
3011 1 13 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.568 0.934 25753
3012 1 13 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.465 -1.899 25753
3013 1 13 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.882 0.418 25753
3014 1 13 . 1 1 5 5 LYS H H 5 7.965 7.965 7.886 0.079 25753
3015 1 13 . 1 1 6 6 LYS N N 6 121.002 121.002 123.495 -2.493 25753
3016 1 13 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.464 0.249 25753
3017 1 13 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.205 -0.205 25753
3018 1 13 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.235 1.338 25753
3019 1 13 . 1 1 6 6 LYS H H 6 8.980 8.980 8.017 0.963 25753
3020 1 13 . 1 1 7 7 VAL N N 7 127.157 127.157 124.358 2.799 25753
3021 1 13 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.917 -0.004 25753
3022 1 13 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.894 1.506 25753
3023 1 13 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.568 0.096 25753
3024 1 13 . 1 1 7 7 VAL H H 7 8.756 8.756 8.499 0.257 25753
3025 1 13 . 1 1 8 8 TYR N N 8 129.707 129.707 129.333 0.374 25753
3026 1 13 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.313 0.070 25753
3027 1 13 . 1 1 8 8 TYR CA C 8 55.150 55.150 59.035 -3.885 25753
3028 1 13 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.995 -4.374 25753
3029 1 13 . 1 1 8 8 TYR H H 8 9.160 9.160 8.089 1.071 25753
3030 1 13 . 1 1 9 9 GLU N N 9 130.601 130.601 122.949 7.652 25753
3031 1 13 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.050 0.070 25753
3032 1 13 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.665 -0.767 25753
3033 1 13 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.030 -1.018 25753
3034 1 13 . 1 1 9 9 GLU H H 9 8.964 8.964 8.774 0.190 25753
3035 1 13 . 1 1 10 10 ASN N N 10 115.766 115.766 114.397 1.369 25753
3036 1 13 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.809 -0.444 25753
3037 1 13 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.384 0.816 25753
3038 1 13 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.938 -1.978 25753
3039 1 13 . 1 1 10 10 ASN H H 10 9.232 9.232 8.246 0.986 25753
3040 1 13 . 1 1 11 11 TYR N N 11 122.267 122.267 122.422 -0.155 25753
3041 1 13 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.620 -0.485 25753
3042 1 13 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.931 2.017 25753
3043 1 13 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.477 -1.373 25753
3044 1 13 . 1 1 11 11 TYR H H 11 7.473 7.473 8.453 -0.980 25753
3045 1 13 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.592 -0.160 25753
3046 1 13 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.802 -0.955 25753
3047 1 13 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.411 -2.161 25753
3048 1 13 . 1 1 13 13 VAL N N 13 123.595 123.595 121.739 1.856 25753
3049 1 13 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.762 -0.008 25753
3050 1 13 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.144 0.356 25753
3051 1 13 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.556 -0.445 25753
3052 1 13 . 1 1 13 13 VAL H H 13 8.102 8.102 8.268 -0.166 25753
3053 1 13 . 1 1 14 14 SER N N 14 116.945 116.945 115.864 1.081 25753
3054 1 13 . 1 1 14 14 SER HA H 14 4.119 4.119 4.174 -0.055 25753
3055 1 13 . 1 1 14 14 SER CA C 14 61.050 61.050 61.081 -0.031 25753
3056 1 13 . 1 1 14 14 SER CB C 14 61.239 61.239 62.561 -1.322 25753
3057 1 13 . 1 1 14 14 SER H H 14 8.387 8.387 8.519 -0.132 25753
3058 1 13 . 1 1 15 15 LYS N N 15 121.073 121.073 120.820 0.253 25753
3059 1 13 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.292 -0.223 25753
3060 1 13 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.831 0.469 25753
3061 1 13 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.792 -1.558 25753
3062 1 13 . 1 1 15 15 LYS H H 15 7.821 7.821 7.504 0.317 25753
3063 1 13 . 1 1 16 16 CYS N N 16 115.469 115.469 119.898 -4.429 25753
3064 1 13 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.271 0.465 25753
3065 1 13 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.534 -3.734 25753
3066 1 13 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.825 14.429 25753
3067 1 13 . 1 1 16 16 CYS H H 16 7.844 7.844 7.648 0.196 25753
3068 1 13 . 1 1 17 17 GLN N N 17 115.128 115.128 117.129 -2.001 25753
3069 1 13 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.028 0.185 25753
3070 1 13 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.776 -1.676 25753
3071 1 13 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.989 -0.389 25753
3072 1 13 . 1 1 17 17 GLN H H 17 7.381 7.381 7.660 -0.279 25753
3073 1 13 . 1 1 18 18 LEU N N 18 120.972 120.972 119.875 1.097 25753
3074 1 13 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.581 -0.075 25753
3075 1 13 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.206 0.094 25753
3076 1 13 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.272 -0.177 25753
3077 1 13 . 1 1 18 18 LEU H H 18 7.286 7.286 7.878 -0.592 25753
3078 1 13 . 1 1 19 19 ALA N N 19 127.694 127.694 129.100 -1.406 25753
3079 1 13 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.980 0.135 25753
3080 1 13 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.507 -1.907 25753
3081 1 13 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.442 -0.542 25753
3082 1 13 . 1 1 19 19 ALA H H 19 8.556 8.556 8.953 -0.397 25753
3083 1 13 . 1 1 20 20 ASN N N 20 116.006 116.006 114.602 1.404 25753
3084 1 13 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.518 0.110 25753
3085 1 13 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.847 -1.147 25753
3086 1 13 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.732 1.261 25753
3087 1 13 . 1 1 20 20 ASN H H 20 9.044 9.044 8.769 0.275 25753
3088 1 13 . 1 1 21 21 GLN N N 21 122.731 122.731 121.158 1.573 25753
3089 1 13 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.364 -0.533 25753
3090 1 13 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.975 0.225 25753
3091 1 13 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.966 0.124 25753
3092 1 13 . 1 1 21 21 GLN H H 21 7.662 7.662 7.837 -0.175 25753
3093 1 13 . 1 1 22 22 CYS N N 22 118.925 118.925 119.844 -0.919 25753
3094 1 13 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.054 0.209 25753
3095 1 13 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.797 -5.697 25753
3096 1 13 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.436 12.064 25753
3097 1 13 . 1 1 22 22 CYS H H 22 8.475 8.475 7.958 0.517 25753
3098 1 13 . 1 1 23 23 ASN N N 23 118.714 118.714 118.136 0.578 25753
3099 1 13 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.419 -0.613 25753
3100 1 13 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.090 0.310 25753
3101 1 13 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.439 0.592 25753
3102 1 13 . 1 1 23 23 ASN H H 23 7.972 7.972 8.134 -0.162 25753
3103 1 13 . 1 1 24 24 TYR N N 24 117.828 117.828 119.953 -2.125 25753
3104 1 13 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.120 -0.206 25753
3105 1 13 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.409 -0.209 25753
3106 1 13 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.353 -0.270 25753
3107 1 13 . 1 1 24 24 TYR H H 24 8.107 8.107 7.786 0.321 25753
3108 1 13 . 1 1 25 25 ASP N N 25 119.620 119.620 117.053 2.567 25753
3109 1 13 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.232 0.397 25753
3110 1 13 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.221 0.179 25753
3111 1 13 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.927 -1.627 25753
3112 1 13 . 1 1 25 25 ASP H H 25 9.064 9.064 8.291 0.773 25753
3113 1 13 . 1 1 26 26 CYS N N 26 120.031 120.031 120.550 -0.519 25753
3114 1 13 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.138 -0.033 25753
3115 1 13 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.634 -1.434 25753
3116 1 13 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.357 10.243 25753
3117 1 13 . 1 1 26 26 CYS H H 26 9.280 9.280 8.316 0.964 25753
3118 1 13 . 1 1 27 27 LYS N N 27 119.838 119.838 119.031 0.807 25753
3119 1 13 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.222 -0.118 25753
3120 1 13 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.946 1.354 25753
3121 1 13 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.928 0.272 25753
3122 1 13 . 1 1 27 27 LYS H H 27 7.646 7.646 8.445 -0.799 25753
3123 1 13 . 1 1 28 28 LEU N N 28 119.791 119.791 120.992 -1.201 25753
3124 1 13 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.140 -0.105 25753
3125 1 13 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.511 -0.311 25753
3126 1 13 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.879 -0.887 25753
3127 1 13 . 1 1 28 28 LEU H H 28 8.257 8.257 7.732 0.525 25753
3128 1 13 . 1 1 29 29 ASP N N 29 116.737 116.737 117.771 -1.034 25753
3129 1 13 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.393 0.083 25753
3130 1 13 . 1 1 29 29 ASP CA C 29 55.597 55.597 57.256 -1.659 25753
3131 1 13 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.603 -1.303 25753
3132 1 13 . 1 1 29 29 ASP H H 29 8.977 8.977 8.480 0.497 25753
3133 1 13 . 1 1 30 30 LYS N N 30 111.907 111.907 116.693 -4.786 25753
3134 1 13 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.138 0.343 25753
3135 1 13 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.404 -3.425 25753
3136 1 13 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.471 -0.987 25753
3137 1 13 . 1 1 30 30 LYS H H 30 6.618 6.618 7.573 -0.955 25753
3138 1 13 . 1 1 31 31 HIS N N 31 112.966 112.966 113.806 -0.840 25753
3139 1 13 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.292 0.250 25753
3140 1 13 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.567 -0.667 25753
3141 1 13 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.050 -1.583 25753
3142 1 13 . 1 1 31 31 HIS H H 31 7.013 7.013 7.635 -0.622 25753
3143 1 13 . 1 1 32 32 ALA N N 32 120.001 120.001 119.942 0.059 25753
3144 1 13 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.734 0.321 25753
3145 1 13 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.245 -0.845 25753
3146 1 13 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.915 -1.015 25753
3147 1 13 . 1 1 32 32 ALA H H 32 7.644 7.644 7.188 0.456 25753
3148 1 13 . 1 1 33 33 ARG N N 33 116.588 116.588 119.858 -3.270 25753
3149 1 13 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.013 0.124 25753
3150 1 13 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.697 -0.799 25753
3151 1 13 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.707 -0.320 25753
3152 1 13 . 1 1 33 33 ARG H H 33 8.254 8.254 8.349 -0.095 25753
3153 1 13 . 1 1 34 34 SER N N 34 109.178 109.178 109.212 -0.034 25753
3154 1 13 . 1 1 34 34 SER HA H 34 4.593 4.593 5.059 -0.466 25753
3155 1 13 . 1 1 34 34 SER CA C 34 57.500 57.500 57.234 0.266 25753
3156 1 13 . 1 1 34 34 SER CB C 34 64.825 64.825 66.884 -2.059 25753
3157 1 13 . 1 1 34 34 SER H H 34 7.989 7.989 7.803 0.186 25753
3158 1 13 . 1 1 35 35 GLY N N 35 107.345 107.345 106.884 0.461 25753
3159 1 13 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.865 0.835 25753
3160 1 13 . 1 1 35 35 GLY H H 35 8.633 8.633 8.412 0.221 25753
3161 1 13 . 1 1 36 36 GLU N N 36 118.288 118.288 121.240 -2.952 25753
3162 1 13 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.834 -0.542 25753
3163 1 13 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.922 0.278 25753
3164 1 13 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.486 -1.822 25753
3165 1 13 . 1 1 36 36 GLU H H 36 8.236 8.236 8.595 -0.359 25753
3166 1 13 . 1 1 37 37 CYS N N 37 120.776 120.776 118.330 2.446 25753
3167 1 13 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.979 1.024 25753
3168 1 13 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.411 -2.211 25753
3169 1 13 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.575 17.125 25753
3170 1 13 . 1 1 37 37 CYS H H 37 8.856 8.856 8.460 0.396 25753
3171 1 13 . 1 1 38 38 PHE N N 38 121.520 121.520 121.820 -0.300 25753
3172 1 13 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.837 -0.150 25753
3173 1 13 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.957 0.543 25753
3174 1 13 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.536 -0.523 25753
3175 1 13 . 1 1 38 38 PHE H H 38 9.082 9.082 9.278 -0.196 25753
3176 1 13 . 1 1 39 39 TYR N N 39 122.581 122.581 123.216 -0.635 25753
3177 1 13 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.709 -0.097 25753
3178 1 13 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.546 0.254 25753
3179 1 13 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.162 -0.062 25753
3180 1 13 . 1 1 39 39 TYR H H 39 8.683 8.683 8.603 0.080 25753
3181 1 13 . 1 1 40 40 LYS N N 40 126.022 126.022 125.045 0.977 25753
3182 1 13 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.701 -0.382 25753
3183 1 13 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.859 0.841 25753
3184 1 13 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.524 -1.724 25753
3185 1 13 . 1 1 40 40 LYS H H 40 8.319 8.319 8.411 -0.092 25753
3186 1 13 . 1 1 41 41 GLU N N 41 120.017 120.017 118.686 1.331 25753
3187 1 13 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.076 0.051 25753
3188 1 13 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.972 -1.172 25753
3189 1 13 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.978 -0.915 25753
3190 1 13 . 1 1 41 41 GLU H H 41 8.657 8.657 8.524 0.133 25753
3191 1 13 . 1 1 42 42 LYS N N 42 116.887 116.887 120.254 -3.367 25753
3192 1 13 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.182 -0.390 25753
3193 1 13 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.968 -0.268 25753
3194 1 13 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.585 -1.785 25753
3195 1 13 . 1 1 42 42 LYS H H 42 8.468 8.468 8.401 0.067 25753
3196 1 13 . 1 1 43 43 ARG N N 43 115.559 115.559 114.871 0.688 25753
3197 1 13 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.609 -0.383 25753
3198 1 13 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.647 0.353 25753
3199 1 13 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.629 -1.829 25753
3200 1 13 . 1 1 43 43 ARG H H 43 8.165 8.165 8.010 0.155 25753
3201 1 13 . 1 1 44 44 ASN N N 44 117.868 117.868 118.939 -1.071 25753
3202 1 13 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.619 0.262 25753
3203 1 13 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.084 -1.684 25753
3204 1 13 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.278 -0.078 25753
3205 1 13 . 1 1 44 44 ASN H H 44 7.983 7.983 7.895 0.088 25753
3206 1 13 . 1 1 45 45 LEU N N 45 125.712 125.712 120.329 5.383 25753
3207 1 13 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.584 -0.278 25753
3208 1 13 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.708 1.392 25753
3209 1 13 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.898 -2.830 25753
3210 1 13 . 1 1 45 45 LEU H H 45 8.193 8.193 8.338 -0.145 25753
3211 1 13 . 1 1 46 46 GLN N N 46 120.613 120.613 119.489 1.124 25753
3212 1 13 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.660 0.005 25753
3213 1 13 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.125 -0.125 25753
3214 1 13 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.858 -0.897 25753
3215 1 13 . 1 1 46 46 GLN H H 46 8.425 8.425 8.850 -0.425 25753
3216 1 13 . 1 1 47 47 CYS N N 47 122.193 122.193 121.773 0.420 25753
3217 1 13 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.920 -0.117 25753
3218 1 13 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.587 -3.886 25753
3219 1 13 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.575 10.425 25753
3220 1 13 . 1 1 47 47 CYS H H 47 9.198 9.198 8.948 0.250 25753
3221 1 13 . 1 1 48 48 ILE N N 48 129.093 129.093 125.611 3.482 25753
3222 1 13 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.646 -0.346 25753
3223 1 13 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.932 0.268 25753
3224 1 13 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.409 -2.309 25753
3225 1 13 . 1 1 48 48 ILE H H 48 8.696 8.696 8.740 -0.044 25753
3226 1 13 . 1 1 49 49 CYS N N 49 126.279 126.279 124.169 2.110 25753
3227 1 13 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.505 0.762 25753
3228 1 13 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.149 -7.762 25753
3229 1 13 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.621 5.926 25753
3230 1 13 . 1 1 49 49 CYS H H 49 8.555 8.555 8.952 -0.397 25753
3231 1 13 . 1 1 50 50 ASP N N 50 122.491 122.491 118.141 4.350 25753
3232 1 13 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.927 0.536 25753
3233 1 13 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.902 -1.802 25753
3234 1 13 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.081 -1.035 25753
3235 1 13 . 1 1 50 50 ASP H H 50 8.813 8.813 8.618 0.195 25753
3236 1 13 . 1 1 51 51 TYR N N 51 124.921 124.921 122.551 2.370 25753
3237 1 13 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.764 -0.564 25753
3238 1 13 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.105 1.995 25753
3239 1 13 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.129 -0.629 25753
3240 1 13 . 1 1 51 51 TYR H H 51 9.633 9.633 8.057 1.576 25753
3241 1 13 . 1 1 52 52 CYS N N 52 120.435 120.435 114.546 5.889 25753
3242 1 13 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.743 -0.329 25753
3243 1 13 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.922 -3.122 25753
3244 1 13 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.167 14.833 25753
3245 1 13 . 1 1 52 52 CYS H H 52 9.550 9.550 7.731 1.819 25753
3246 1 13 . 1 1 53 53 GLU N N 53 120.972 120.972 119.559 1.413 25753
3247 1 13 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.670 -0.423 25753
3248 1 13 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.808 -0.508 25753
3249 1 13 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.766 -0.693 25753
3250 1 13 . 1 1 53 53 GLU H H 53 8.335 8.335 8.221 0.114 25753
3251 1 14 . 1 1 3 3 LYS HA H 3 4.270 4.270 3.938 0.332 25753
3252 1 14 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.379 -0.168 25753
3253 1 14 . 1 1 3 3 LYS CB C 3 32.322 32.322 29.910 2.412 25753
3254 1 14 . 1 1 3 3 LYS H H 3 8.214 8.214 8.327 -0.113 25753
3255 1 14 . 1 1 4 4 CYS N N 4 116.570 116.570 116.434 0.136 25753
3256 1 14 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.293 0.401 25753
3257 1 14 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.905 -3.133 25753
3258 1 14 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.984 14.616 25753
3259 1 14 . 1 1 4 4 CYS H H 4 8.430 8.430 8.387 0.043 25753
3260 1 14 . 1 1 5 5 LYS N N 5 118.500 118.500 118.658 -0.158 25753
3261 1 14 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.493 1.009 25753
3262 1 14 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.103 -1.537 25753
3263 1 14 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.515 0.785 25753
3264 1 14 . 1 1 5 5 LYS H H 5 7.965 7.965 7.729 0.236 25753
3265 1 14 . 1 1 6 6 LYS N N 6 121.002 121.002 123.002 -2.000 25753
3266 1 14 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.512 0.201 25753
3267 1 14 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.232 -0.232 25753
3268 1 14 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.841 0.732 25753
3269 1 14 . 1 1 6 6 LYS H H 6 8.980 8.980 8.056 0.924 25753
3270 1 14 . 1 1 7 7 VAL N N 7 127.157 127.157 123.838 3.319 25753
3271 1 14 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.874 0.039 25753
3272 1 14 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.785 0.615 25753
3273 1 14 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.883 -0.219 25753
3274 1 14 . 1 1 7 7 VAL H H 7 8.756 8.756 8.474 0.282 25753
3275 1 14 . 1 1 8 8 TYR N N 8 129.707 129.707 129.241 0.466 25753
3276 1 14 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.343 0.040 25753
3277 1 14 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.788 -3.638 25753
3278 1 14 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.761 -4.140 25753
3279 1 14 . 1 1 8 8 TYR H H 8 9.160 9.160 8.176 0.984 25753
3280 1 14 . 1 1 9 9 GLU N N 9 130.601 130.601 123.051 7.550 25753
3281 1 14 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.065 0.055 25753
3282 1 14 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.720 -0.822 25753
3283 1 14 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.070 -1.058 25753
3284 1 14 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753
3285 1 14 . 1 1 10 10 ASN N N 10 115.766 115.766 113.808 1.958 25753
3286 1 14 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.817 -0.452 25753
3287 1 14 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.395 0.805 25753
3288 1 14 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.397 -1.437 25753
3289 1 14 . 1 1 10 10 ASN H H 10 9.232 9.232 8.253 0.979 25753
3290 1 14 . 1 1 11 11 TYR N N 11 122.267 122.267 121.990 0.277 25753
3291 1 14 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.754 -0.619 25753
3292 1 14 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.872 2.075 25753
3293 1 14 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.757 -0.652 25753
3294 1 14 . 1 1 11 11 TYR H H 11 7.473 7.473 8.236 -0.763 25753
3295 1 14 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.542 -0.110 25753
3296 1 14 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.831 -0.984 25753
3297 1 14 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.512 -2.262 25753
3298 1 14 . 1 1 13 13 VAL N N 13 123.595 123.595 125.270 -1.675 25753
3299 1 14 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.691 0.063 25753
3300 1 14 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.157 1.343 25753
3301 1 14 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.727 -0.616 25753
3302 1 14 . 1 1 13 13 VAL H H 13 8.102 8.102 8.551 -0.449 25753
3303 1 14 . 1 1 14 14 SER N N 14 116.945 116.945 114.727 2.218 25753
3304 1 14 . 1 1 14 14 SER HA H 14 4.119 4.119 4.273 -0.154 25753
3305 1 14 . 1 1 14 14 SER CA C 14 61.050 61.050 61.623 -0.573 25753
3306 1 14 . 1 1 14 14 SER CB C 14 61.239 61.239 62.809 -1.570 25753
3307 1 14 . 1 1 14 14 SER H H 14 8.387 8.387 8.399 -0.012 25753
3308 1 14 . 1 1 15 15 LYS N N 15 121.073 121.073 122.366 -1.293 25753
3309 1 14 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.185 -0.116 25753
3310 1 14 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.762 0.538 25753
3311 1 14 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.142 -0.907 25753
3312 1 14 . 1 1 15 15 LYS H H 15 7.821 7.821 7.717 0.104 25753
3313 1 14 . 1 1 16 16 CYS N N 16 115.469 115.469 118.680 -3.211 25753
3314 1 14 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.268 0.468 25753
3315 1 14 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.151 -3.351 25753
3316 1 14 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.921 14.333 25753
3317 1 14 . 1 1 16 16 CYS H H 16 7.844 7.844 7.654 0.190 25753
3318 1 14 . 1 1 17 17 GLN N N 17 115.128 115.128 117.255 -2.127 25753
3319 1 14 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.045 0.168 25753
3320 1 14 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.610 -1.510 25753
3321 1 14 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.961 -0.361 25753
3322 1 14 . 1 1 17 17 GLN H H 17 7.381 7.381 7.597 -0.216 25753
3323 1 14 . 1 1 18 18 LEU N N 18 120.972 120.972 119.879 1.093 25753
3324 1 14 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.587 -0.081 25753
3325 1 14 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.190 0.110 25753
3326 1 14 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.361 -0.267 25753
3327 1 14 . 1 1 18 18 LEU H H 18 7.286 7.286 7.886 -0.600 25753
3328 1 14 . 1 1 19 19 ALA N N 19 127.694 127.694 129.067 -1.373 25753
3329 1 14 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.983 0.132 25753
3330 1 14 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.514 -1.914 25753
3331 1 14 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.424 -0.524 25753
3332 1 14 . 1 1 19 19 ALA H H 19 8.556 8.556 8.958 -0.402 25753
3333 1 14 . 1 1 20 20 ASN N N 20 116.006 116.006 114.673 1.333 25753
3334 1 14 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.508 0.120 25753
3335 1 14 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.897 -1.197 25753
3336 1 14 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.734 1.259 25753
3337 1 14 . 1 1 20 20 ASN H H 20 9.044 9.044 8.769 0.275 25753
3338 1 14 . 1 1 21 21 GLN N N 21 122.731 122.731 121.110 1.621 25753
3339 1 14 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.367 -0.536 25753
3340 1 14 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.005 0.195 25753
3341 1 14 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.989 0.101 25753
3342 1 14 . 1 1 21 21 GLN H H 21 7.662 7.662 7.870 -0.208 25753
3343 1 14 . 1 1 22 22 CYS N N 22 118.925 118.925 119.955 -1.030 25753
3344 1 14 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.136 0.127 25753
3345 1 14 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.822 -5.722 25753
3346 1 14 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.445 12.056 25753
3347 1 14 . 1 1 22 22 CYS H H 22 8.475 8.475 7.947 0.528 25753
3348 1 14 . 1 1 23 23 ASN N N 23 118.714 118.714 118.031 0.683 25753
3349 1 14 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.426 -0.620 25753
3350 1 14 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.147 0.253 25753
3351 1 14 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.477 0.554 25753
3352 1 14 . 1 1 23 23 ASN H H 23 7.972 7.972 8.205 -0.233 25753
3353 1 14 . 1 1 24 24 TYR N N 24 117.828 117.828 120.064 -2.236 25753
3354 1 14 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.117 -0.203 25753
3355 1 14 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.420 -0.220 25753
3356 1 14 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.379 -0.296 25753
3357 1 14 . 1 1 24 24 TYR H H 24 8.107 8.107 7.769 0.338 25753
3358 1 14 . 1 1 25 25 ASP N N 25 119.620 119.620 117.120 2.500 25753
3359 1 14 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.344 0.285 25753
3360 1 14 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.645 0.755 25753
3361 1 14 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.901 -1.601 25753
3362 1 14 . 1 1 25 25 ASP H H 25 9.064 9.064 8.388 0.676 25753
3363 1 14 . 1 1 26 26 CYS N N 26 120.031 120.031 120.453 -0.422 25753
3364 1 14 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.192 -0.087 25753
3365 1 14 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.618 -1.418 25753
3366 1 14 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.513 10.087 25753
3367 1 14 . 1 1 26 26 CYS H H 26 9.280 9.280 8.328 0.952 25753
3368 1 14 . 1 1 27 27 LYS N N 27 119.838 119.838 119.014 0.824 25753
3369 1 14 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.228 -0.124 25753
3370 1 14 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.045 1.255 25753
3371 1 14 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.060 0.140 25753
3372 1 14 . 1 1 27 27 LYS H H 27 7.646 7.646 8.446 -0.800 25753
3373 1 14 . 1 1 28 28 LEU N N 28 119.791 119.791 120.994 -1.203 25753
3374 1 14 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.052 -0.017 25753
3375 1 14 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.494 -0.294 25753
3376 1 14 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.890 -0.898 25753
3377 1 14 . 1 1 28 28 LEU H H 28 8.257 8.257 7.730 0.527 25753
3378 1 14 . 1 1 29 29 ASP N N 29 116.737 116.737 118.983 -2.246 25753
3379 1 14 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.435 0.041 25753
3380 1 14 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.479 -0.882 25753
3381 1 14 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.650 -1.350 25753
3382 1 14 . 1 1 29 29 ASP H H 29 8.977 8.977 8.542 0.435 25753
3383 1 14 . 1 1 30 30 LYS N N 30 111.907 111.907 116.368 -4.461 25753
3384 1 14 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.288 0.193 25753
3385 1 14 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.391 -3.412 25753
3386 1 14 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.910 -1.426 25753
3387 1 14 . 1 1 30 30 LYS H H 30 6.618 6.618 7.630 -1.012 25753
3388 1 14 . 1 1 31 31 HIS N N 31 112.966 112.966 113.526 -0.560 25753
3389 1 14 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.308 0.234 25753
3390 1 14 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.964 -1.064 25753
3391 1 14 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.680 -1.213 25753
3392 1 14 . 1 1 31 31 HIS H H 31 7.013 7.013 7.639 -0.626 25753
3393 1 14 . 1 1 32 32 ALA N N 32 120.001 120.001 120.614 -0.613 25753
3394 1 14 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.906 0.149 25753
3395 1 14 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.494 -1.094 25753
3396 1 14 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.982 -1.082 25753
3397 1 14 . 1 1 32 32 ALA H H 32 7.644 7.644 7.282 0.362 25753
3398 1 14 . 1 1 33 33 ARG N N 33 116.588 116.588 120.388 -3.800 25753
3399 1 14 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.028 0.109 25753
3400 1 14 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.777 -0.879 25753
3401 1 14 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.659 -0.272 25753
3402 1 14 . 1 1 33 33 ARG H H 33 8.254 8.254 8.301 -0.047 25753
3403 1 14 . 1 1 34 34 SER N N 34 109.178 109.178 109.713 -0.535 25753
3404 1 14 . 1 1 34 34 SER HA H 34 4.593 4.593 5.056 -0.463 25753
3405 1 14 . 1 1 34 34 SER CA C 34 57.500 57.500 57.144 0.356 25753
3406 1 14 . 1 1 34 34 SER CB C 34 64.825 64.825 67.288 -2.463 25753
3407 1 14 . 1 1 34 34 SER H H 34 7.989 7.989 7.558 0.431 25753
3408 1 14 . 1 1 35 35 GLY N N 35 107.345 107.345 106.948 0.397 25753
3409 1 14 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.890 0.810 25753
3410 1 14 . 1 1 35 35 GLY H H 35 8.633 8.633 8.514 0.119 25753
3411 1 14 . 1 1 36 36 GLU N N 36 118.288 118.288 122.399 -4.111 25753
3412 1 14 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.811 -0.519 25753
3413 1 14 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.567 0.633 25753
3414 1 14 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.492 -1.828 25753
3415 1 14 . 1 1 36 36 GLU H H 36 8.236 8.236 8.687 -0.451 25753
3416 1 14 . 1 1 37 37 CYS N N 37 120.776 120.776 118.903 1.873 25753
3417 1 14 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.121 0.882 25753
3418 1 14 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.462 -2.262 25753
3419 1 14 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.628 17.072 25753
3420 1 14 . 1 1 37 37 CYS H H 37 8.856 8.856 8.648 0.208 25753
3421 1 14 . 1 1 38 38 PHE N N 38 121.520 121.520 121.873 -0.353 25753
3422 1 14 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.859 -0.172 25753
3423 1 14 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.675 0.825 25753
3424 1 14 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.540 0.473 25753
3425 1 14 . 1 1 38 38 PHE H H 38 9.082 9.082 9.192 -0.110 25753
3426 1 14 . 1 1 39 39 TYR N N 39 122.581 122.581 122.333 0.248 25753
3427 1 14 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
3428 1 14 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.236 0.564 25753
3429 1 14 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.945 0.155 25753
3430 1 14 . 1 1 39 39 TYR H H 39 8.683 8.683 8.594 0.089 25753
3431 1 14 . 1 1 40 40 LYS N N 40 126.022 126.022 125.393 0.629 25753
3432 1 14 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.574 -0.255 25753
3433 1 14 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.142 0.558 25753
3434 1 14 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.150 -1.350 25753
3435 1 14 . 1 1 40 40 LYS H H 40 8.319 8.319 8.444 -0.125 25753
3436 1 14 . 1 1 41 41 GLU N N 41 120.017 120.017 117.888 2.129 25753
3437 1 14 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.101 0.026 25753
3438 1 14 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.017 -1.217 25753
3439 1 14 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.974 0.089 25753
3440 1 14 . 1 1 41 41 GLU H H 41 8.657 8.657 8.556 0.101 25753
3441 1 14 . 1 1 42 42 LYS N N 42 116.887 116.887 121.201 -4.314 25753
3442 1 14 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.257 -0.465 25753
3443 1 14 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.005 -0.305 25753
3444 1 14 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.524 -1.724 25753
3445 1 14 . 1 1 42 42 LYS H H 42 8.468 8.468 8.310 0.158 25753
3446 1 14 . 1 1 43 43 ARG N N 43 115.559 115.559 116.861 -1.302 25753
3447 1 14 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.483 -0.257 25753
3448 1 14 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.901 0.099 25753
3449 1 14 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.650 -0.850 25753
3450 1 14 . 1 1 43 43 ARG H H 43 8.165 8.165 8.110 0.055 25753
3451 1 14 . 1 1 44 44 ASN N N 44 117.868 117.868 119.397 -1.529 25753
3452 1 14 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.612 0.269 25753
3453 1 14 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.032 -1.632 25753
3454 1 14 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.113 0.087 25753
3455 1 14 . 1 1 44 44 ASN H H 44 7.983 7.983 7.855 0.128 25753
3456 1 14 . 1 1 45 45 LEU N N 45 125.712 125.712 121.214 4.498 25753
3457 1 14 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.638 -0.332 25753
3458 1 14 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.701 1.399 25753
3459 1 14 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.825 -2.758 25753
3460 1 14 . 1 1 45 45 LEU H H 45 8.193 8.193 8.396 -0.203 25753
3461 1 14 . 1 1 46 46 GLN N N 46 120.613 120.613 119.508 1.105 25753
3462 1 14 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.672 -0.007 25753
3463 1 14 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.361 -0.361 25753
3464 1 14 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.906 -0.945 25753
3465 1 14 . 1 1 46 46 GLN H H 46 8.425 8.425 8.832 -0.407 25753
3466 1 14 . 1 1 47 47 CYS N N 47 122.193 122.193 121.111 1.082 25753
3467 1 14 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.873 -0.070 25753
3468 1 14 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.627 -3.927 25753
3469 1 14 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.888 10.112 25753
3470 1 14 . 1 1 47 47 CYS H H 47 9.198 9.198 8.947 0.251 25753
3471 1 14 . 1 1 48 48 ILE N N 48 129.093 129.093 125.637 3.456 25753
3472 1 14 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.641 -0.341 25753
3473 1 14 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.742 0.458 25753
3474 1 14 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.545 -2.446 25753
3475 1 14 . 1 1 48 48 ILE H H 48 8.696 8.696 8.959 -0.263 25753
3476 1 14 . 1 1 49 49 CYS N N 49 126.279 126.279 124.587 1.692 25753
3477 1 14 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.429 0.838 25753
3478 1 14 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.965 -7.578 25753
3479 1 14 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.421 6.126 25753
3480 1 14 . 1 1 49 49 CYS H H 49 8.555 8.555 8.943 -0.388 25753
3481 1 14 . 1 1 50 50 ASP N N 50 122.491 122.491 119.045 3.446 25753
3482 1 14 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.868 0.595 25753
3483 1 14 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.828 -1.728 25753
3484 1 14 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.158 -1.113 25753
3485 1 14 . 1 1 50 50 ASP H H 50 8.813 8.813 8.494 0.319 25753
3486 1 14 . 1 1 51 51 TYR N N 51 124.921 124.921 121.995 2.926 25753
3487 1 14 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.823 -0.623 25753
3488 1 14 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.826 1.274 25753
3489 1 14 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.341 -0.841 25753
3490 1 14 . 1 1 51 51 TYR H H 51 9.633 9.633 8.050 1.583 25753
3491 1 14 . 1 1 52 52 CYS N N 52 120.435 120.435 116.417 4.018 25753
3492 1 14 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.731 -0.317 25753
3493 1 14 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.263 -3.463 25753
3494 1 14 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.970 13.030 25753
3495 1 14 . 1 1 52 52 CYS H H 52 9.550 9.550 8.186 1.364 25753
3496 1 14 . 1 1 53 53 GLU N N 53 120.972 120.972 120.074 0.898 25753
3497 1 14 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.558 -0.311 25753
3498 1 14 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.777 -0.477 25753
3499 1 14 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.570 0.503 25753
3500 1 14 . 1 1 53 53 GLU H H 53 8.335 8.335 8.472 -0.137 25753
3501 1 15 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.177 0.093 25753
3502 1 15 . 1 1 3 3 LYS CA C 3 57.211 57.211 58.157 -0.946 25753
3503 1 15 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.728 -0.406 25753
3504 1 15 . 1 1 3 3 LYS H H 3 8.214 8.214 8.416 -0.202 25753
3505 1 15 . 1 1 4 4 CYS N N 4 116.570 116.570 115.053 1.517 25753
3506 1 15 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.342 0.352 25753
3507 1 15 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.166 -3.394 25753
3508 1 15 . 1 1 4 4 CYS CB C 4 41.600 41.600 25.833 15.767 25753
3509 1 15 . 1 1 4 4 CYS H H 4 8.430 8.430 8.446 -0.016 25753
3510 1 15 . 1 1 5 5 LYS N N 5 118.500 118.500 118.388 0.112 25753
3511 1 15 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.571 0.931 25753
3512 1 15 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.140 -1.574 25753
3513 1 15 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.793 0.507 25753
3514 1 15 . 1 1 5 5 LYS H H 5 7.965 7.965 7.561 0.404 25753
3515 1 15 . 1 1 6 6 LYS N N 6 121.002 121.002 121.898 -0.896 25753
3516 1 15 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.516 0.197 25753
3517 1 15 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.270 -0.270 25753
3518 1 15 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.406 1.167 25753
3519 1 15 . 1 1 6 6 LYS H H 6 8.980 8.980 7.954 1.026 25753
3520 1 15 . 1 1 7 7 VAL N N 7 127.157 127.157 123.782 3.375 25753
3521 1 15 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.943 -0.030 25753
3522 1 15 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.696 1.704 25753
3523 1 15 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.740 -0.076 25753
3524 1 15 . 1 1 7 7 VAL H H 7 8.756 8.756 8.512 0.244 25753
3525 1 15 . 1 1 8 8 TYR N N 8 129.707 129.707 129.915 -0.208 25753
3526 1 15 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.295 0.088 25753
3527 1 15 . 1 1 8 8 TYR CA C 8 55.150 55.150 59.131 -3.981 25753
3528 1 15 . 1 1 8 8 TYR CB C 8 35.621 35.621 40.002 -4.381 25753
3529 1 15 . 1 1 8 8 TYR H H 8 9.160 9.160 8.181 0.979 25753
3530 1 15 . 1 1 9 9 GLU N N 9 130.601 130.601 123.010 7.591 25753
3531 1 15 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.059 0.061 25753
3532 1 15 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.932 -1.034 25753
3533 1 15 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.007 -0.994 25753
3534 1 15 . 1 1 9 9 GLU H H 9 8.964 8.964 8.747 0.217 25753
3535 1 15 . 1 1 10 10 ASN N N 10 115.766 115.766 114.397 1.369 25753
3536 1 15 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.812 -0.447 25753
3537 1 15 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.368 0.832 25753
3538 1 15 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.894 -1.934 25753
3539 1 15 . 1 1 10 10 ASN H H 10 9.232 9.232 8.319 0.913 25753
3540 1 15 . 1 1 11 11 TYR N N 11 122.267 122.267 122.362 -0.095 25753
3541 1 15 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.640 -0.505 25753
3542 1 15 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.929 2.018 25753
3543 1 15 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.455 -1.350 25753
3544 1 15 . 1 1 11 11 TYR H H 11 7.473 7.473 8.471 -0.998 25753
3545 1 15 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.594 -0.162 25753
3546 1 15 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.578 -0.731 25753
3547 1 15 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.596 -2.346 25753
3548 1 15 . 1 1 13 13 VAL N N 13 123.595 123.595 124.903 -1.308 25753
3549 1 15 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.691 0.063 25753
3550 1 15 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.240 0.260 25753
3551 1 15 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.783 -0.672 25753
3552 1 15 . 1 1 13 13 VAL H H 13 8.102 8.102 8.558 -0.456 25753
3553 1 15 . 1 1 14 14 SER N N 14 116.945 116.945 114.505 2.440 25753
3554 1 15 . 1 1 14 14 SER HA H 14 4.119 4.119 4.233 -0.114 25753
3555 1 15 . 1 1 14 14 SER CA C 14 61.050 61.050 60.819 0.231 25753
3556 1 15 . 1 1 14 14 SER CB C 14 61.239 61.239 62.790 -1.551 25753
3557 1 15 . 1 1 14 14 SER H H 14 8.387 8.387 8.406 -0.019 25753
3558 1 15 . 1 1 15 15 LYS N N 15 121.073 121.073 120.180 0.893 25753
3559 1 15 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.286 -0.217 25753
3560 1 15 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.622 0.678 25753
3561 1 15 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.856 -1.621 25753
3562 1 15 . 1 1 15 15 LYS H H 15 7.821 7.821 7.402 0.419 25753
3563 1 15 . 1 1 16 16 CYS N N 16 115.469 115.469 119.508 -4.039 25753
3564 1 15 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.288 0.448 25753
3565 1 15 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.465 -3.665 25753
3566 1 15 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.862 14.392 25753
3567 1 15 . 1 1 16 16 CYS H H 16 7.844 7.844 7.620 0.224 25753
3568 1 15 . 1 1 17 17 GLN N N 17 115.128 115.128 117.150 -2.022 25753
3569 1 15 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.033 0.180 25753
3570 1 15 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.660 -1.560 25753
3571 1 15 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.986 -0.386 25753
3572 1 15 . 1 1 17 17 GLN H H 17 7.381 7.381 7.700 -0.319 25753
3573 1 15 . 1 1 18 18 LEU N N 18 120.972 120.972 119.372 1.600 25753
3574 1 15 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.577 -0.071 25753
3575 1 15 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.249 0.051 25753
3576 1 15 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.629 -0.535 25753
3577 1 15 . 1 1 18 18 LEU H H 18 7.286 7.286 7.797 -0.511 25753
3578 1 15 . 1 1 19 19 ALA N N 19 127.694 127.694 128.893 -1.199 25753
3579 1 15 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.016 0.099 25753
3580 1 15 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.774 -2.174 25753
3581 1 15 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.491 -0.591 25753
3582 1 15 . 1 1 19 19 ALA H H 19 8.556 8.556 8.972 -0.416 25753
3583 1 15 . 1 1 20 20 ASN N N 20 116.006 116.006 114.224 1.782 25753
3584 1 15 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.436 0.192 25753
3585 1 15 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.814 -1.114 25753
3586 1 15 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.535 1.458 25753
3587 1 15 . 1 1 20 20 ASN H H 20 9.044 9.044 8.809 0.235 25753
3588 1 15 . 1 1 21 21 GLN N N 21 122.731 122.731 120.380 2.351 25753
3589 1 15 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.270 -0.439 25753
3590 1 15 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.083 0.117 25753
3591 1 15 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.733 0.357 25753
3592 1 15 . 1 1 21 21 GLN H H 21 7.662 7.662 7.363 0.299 25753
3593 1 15 . 1 1 22 22 CYS N N 22 118.925 118.925 120.075 -1.150 25753
3594 1 15 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.054 0.209 25753
3595 1 15 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.764 -5.664 25753
3596 1 15 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.414 12.086 25753
3597 1 15 . 1 1 22 22 CYS H H 22 8.475 8.475 7.914 0.561 25753
3598 1 15 . 1 1 23 23 ASN N N 23 118.714 118.714 118.275 0.439 25753
3599 1 15 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.394 -0.588 25753
3600 1 15 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.201 0.199 25753
3601 1 15 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.523 0.508 25753
3602 1 15 . 1 1 23 23 ASN H H 23 7.972 7.972 8.394 -0.422 25753
3603 1 15 . 1 1 24 24 TYR N N 24 117.828 117.828 120.008 -2.180 25753
3604 1 15 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.094 -0.180 25753
3605 1 15 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.377 -0.177 25753
3606 1 15 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.325 -0.242 25753
3607 1 15 . 1 1 24 24 TYR H H 24 8.107 8.107 7.850 0.257 25753
3608 1 15 . 1 1 25 25 ASP N N 25 119.620 119.620 117.094 2.526 25753
3609 1 15 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.224 0.405 25753
3610 1 15 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.310 0.090 25753
3611 1 15 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.916 -1.616 25753
3612 1 15 . 1 1 25 25 ASP H H 25 9.064 9.064 8.299 0.765 25753
3613 1 15 . 1 1 26 26 CYS N N 26 120.031 120.031 120.415 -0.384 25753
3614 1 15 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.179 -0.074 25753
3615 1 15 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.596 -1.396 25753
3616 1 15 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.410 10.191 25753
3617 1 15 . 1 1 26 26 CYS H H 26 9.280 9.280 8.308 0.972 25753
3618 1 15 . 1 1 27 27 LYS N N 27 119.838 119.838 118.970 0.868 25753
3619 1 15 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.200 -0.096 25753
3620 1 15 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.959 1.341 25753
3621 1 15 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.001 0.199 25753
3622 1 15 . 1 1 27 27 LYS H H 27 7.646 7.646 8.449 -0.803 25753
3623 1 15 . 1 1 28 28 LEU N N 28 119.791 119.791 121.085 -1.294 25753
3624 1 15 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.222 -0.187 25753
3625 1 15 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.662 -0.462 25753
3626 1 15 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.866 -0.874 25753
3627 1 15 . 1 1 28 28 LEU H H 28 8.257 8.257 7.842 0.415 25753
3628 1 15 . 1 1 29 29 ASP N N 29 116.737 116.737 119.435 -2.698 25753
3629 1 15 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.631 -0.155 25753
3630 1 15 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.336 -0.739 25753
3631 1 15 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.426 -1.126 25753
3632 1 15 . 1 1 29 29 ASP H H 29 8.977 8.977 8.498 0.479 25753
3633 1 15 . 1 1 30 30 LYS N N 30 111.907 111.907 116.864 -4.957 25753
3634 1 15 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.339 0.142 25753
3635 1 15 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.527 -3.548 25753
3636 1 15 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.197 -1.713 25753
3637 1 15 . 1 1 30 30 LYS H H 30 6.618 6.618 7.749 -1.131 25753
3638 1 15 . 1 1 31 31 HIS N N 31 112.966 112.966 115.896 -2.930 25753
3639 1 15 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.299 0.243 25753
3640 1 15 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.766 -0.866 25753
3641 1 15 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.216 -2.749 25753
3642 1 15 . 1 1 31 31 HIS H H 31 7.013 7.013 8.001 -0.988 25753
3643 1 15 . 1 1 32 32 ALA N N 32 120.001 120.001 120.214 -0.213 25753
3644 1 15 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.987 0.067 25753
3645 1 15 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.786 -1.386 25753
3646 1 15 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.727 -0.827 25753
3647 1 15 . 1 1 32 32 ALA H H 32 7.644 7.644 7.354 0.290 25753
3648 1 15 . 1 1 33 33 ARG N N 33 116.588 116.588 120.560 -3.972 25753
3649 1 15 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.993 0.144 25753
3650 1 15 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.083 -1.185 25753
3651 1 15 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.699 -0.312 25753
3652 1 15 . 1 1 33 33 ARG H H 33 8.254 8.254 8.427 -0.173 25753
3653 1 15 . 1 1 34 34 SER N N 34 109.178 109.178 108.587 0.591 25753
3654 1 15 . 1 1 34 34 SER HA H 34 4.593 4.593 4.893 -0.300 25753
3655 1 15 . 1 1 34 34 SER CA C 34 57.500 57.500 57.015 0.485 25753
3656 1 15 . 1 1 34 34 SER CB C 34 64.825 64.825 67.026 -2.201 25753
3657 1 15 . 1 1 34 34 SER H H 34 7.989 7.989 7.530 0.459 25753
3658 1 15 . 1 1 35 35 GLY N N 35 107.345 107.345 106.751 0.594 25753
3659 1 15 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.829 0.871 25753
3660 1 15 . 1 1 35 35 GLY H H 35 8.633 8.633 8.101 0.532 25753
3661 1 15 . 1 1 36 36 GLU N N 36 118.288 118.288 120.857 -2.569 25753
3662 1 15 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.842 -0.550 25753
3663 1 15 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.864 0.336 25753
3664 1 15 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.677 -2.013 25753
3665 1 15 . 1 1 36 36 GLU H H 36 8.236 8.236 8.910 -0.674 25753
3666 1 15 . 1 1 37 37 CYS N N 37 120.776 120.776 118.773 2.003 25753
3667 1 15 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.002 1.001 25753
3668 1 15 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.260 -2.060 25753
3669 1 15 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.457 17.242 25753
3670 1 15 . 1 1 37 37 CYS H H 37 8.856 8.856 8.659 0.197 25753
3671 1 15 . 1 1 38 38 PHE N N 38 121.520 121.520 121.805 -0.285 25753
3672 1 15 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753
3673 1 15 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.740 0.760 25753
3674 1 15 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.514 0.499 25753
3675 1 15 . 1 1 38 38 PHE H H 38 9.082 9.082 9.188 -0.106 25753
3676 1 15 . 1 1 39 39 TYR N N 39 122.581 122.581 122.155 0.426 25753
3677 1 15 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.711 -0.099 25753
3678 1 15 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.265 0.535 25753
3679 1 15 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.930 0.170 25753
3680 1 15 . 1 1 39 39 TYR H H 39 8.683 8.683 8.620 0.063 25753
3681 1 15 . 1 1 40 40 LYS N N 40 126.022 126.022 125.381 0.641 25753
3682 1 15 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.583 -0.264 25753
3683 1 15 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.112 0.588 25753
3684 1 15 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.167 -1.367 25753
3685 1 15 . 1 1 40 40 LYS H H 40 8.319 8.319 8.449 -0.130 25753
3686 1 15 . 1 1 41 41 GLU N N 41 120.017 120.017 117.736 2.281 25753
3687 1 15 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753
3688 1 15 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.058 -1.258 25753
3689 1 15 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.898 0.165 25753
3690 1 15 . 1 1 41 41 GLU H H 41 8.657 8.657 8.566 0.091 25753
3691 1 15 . 1 1 42 42 LYS N N 42 116.887 116.887 121.210 -4.323 25753
3692 1 15 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.202 -0.410 25753
3693 1 15 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.055 -0.355 25753
3694 1 15 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.558 -1.758 25753
3695 1 15 . 1 1 42 42 LYS H H 42 8.468 8.468 8.320 0.148 25753
3696 1 15 . 1 1 43 43 ARG N N 43 115.559 115.559 116.667 -1.108 25753
3697 1 15 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.429 -0.203 25753
3698 1 15 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.966 0.034 25753
3699 1 15 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.971 -1.171 25753
3700 1 15 . 1 1 43 43 ARG H H 43 8.165 8.165 7.998 0.167 25753
3701 1 15 . 1 1 44 44 ASN N N 44 117.868 117.868 118.691 -0.823 25753
3702 1 15 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.615 0.266 25753
3703 1 15 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.274 -1.874 25753
3704 1 15 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.209 -0.009 25753
3705 1 15 . 1 1 44 44 ASN H H 44 7.983 7.983 7.959 0.024 25753
3706 1 15 . 1 1 45 45 LEU N N 45 125.712 125.712 121.070 4.642 25753
3707 1 15 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.539 -0.233 25753
3708 1 15 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.774 1.326 25753
3709 1 15 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.306 -2.239 25753
3710 1 15 . 1 1 45 45 LEU H H 45 8.193 8.193 8.088 0.105 25753
3711 1 15 . 1 1 46 46 GLN N N 46 120.613 120.613 119.601 1.012 25753
3712 1 15 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.665 -0.000 25753
3713 1 15 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.112 -0.112 25753
3714 1 15 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.006 -1.045 25753
3715 1 15 . 1 1 46 46 GLN H H 46 8.425 8.425 8.664 -0.239 25753
3716 1 15 . 1 1 47 47 CYS N N 47 122.193 122.193 121.080 1.113 25753
3717 1 15 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.002 -0.199 25753
3718 1 15 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.580 -3.880 25753
3719 1 15 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.866 10.133 25753
3720 1 15 . 1 1 47 47 CYS H H 47 9.198 9.198 8.926 0.272 25753
3721 1 15 . 1 1 48 48 ILE N N 48 129.093 129.093 125.479 3.614 25753
3722 1 15 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.683 -0.383 25753
3723 1 15 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.742 0.458 25753
3724 1 15 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.679 -2.579 25753
3725 1 15 . 1 1 48 48 ILE H H 48 8.696 8.696 9.036 -0.340 25753
3726 1 15 . 1 1 49 49 CYS N N 49 126.279 126.279 124.699 1.580 25753
3727 1 15 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.447 0.820 25753
3728 1 15 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.043 -7.656 25753
3729 1 15 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.263 6.284 25753
3730 1 15 . 1 1 49 49 CYS H H 49 8.555 8.555 8.974 -0.419 25753
3731 1 15 . 1 1 50 50 ASP N N 50 122.491 122.491 119.481 3.010 25753
3732 1 15 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.910 0.553 25753
3733 1 15 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.910 -1.810 25753
3734 1 15 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.482 -1.436 25753
3735 1 15 . 1 1 50 50 ASP H H 50 8.813 8.813 8.492 0.321 25753
3736 1 15 . 1 1 51 51 TYR N N 51 124.921 124.921 120.203 4.718 25753
3737 1 15 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.789 -0.589 25753
3738 1 15 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.634 1.466 25753
3739 1 15 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.532 -1.032 25753
3740 1 15 . 1 1 51 51 TYR H H 51 9.633 9.633 8.519 1.114 25753
3741 1 15 . 1 1 52 52 CYS N N 52 120.435 120.435 117.590 2.845 25753
3742 1 15 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.752 -0.338 25753
3743 1 15 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.158 -3.358 25753
3744 1 15 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.383 13.617 25753
3745 1 15 . 1 1 52 52 CYS H H 52 9.550 9.550 8.148 1.402 25753
3746 1 15 . 1 1 53 53 GLU N N 53 120.972 120.972 119.992 0.980 25753
3747 1 15 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.682 -0.435 25753
3748 1 15 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.485 -0.185 25753
3749 1 15 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.858 0.214 25753
3750 1 15 . 1 1 53 53 GLU H H 53 8.335 8.335 8.174 0.161 25753
3751 1 16 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.203 0.067 25753
3752 1 16 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.879 0.332 25753
3753 1 16 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.993 -0.671 25753
3754 1 16 . 1 1 3 3 LYS H H 3 8.214 8.214 8.044 0.170 25753
3755 1 16 . 1 1 4 4 CYS N N 4 116.570 116.570 117.870 -1.300 25753
3756 1 16 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.347 0.347 25753
3757 1 16 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.950 -3.178 25753
3758 1 16 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.099 14.501 25753
3759 1 16 . 1 1 4 4 CYS H H 4 8.430 8.430 8.455 -0.025 25753
3760 1 16 . 1 1 5 5 LYS N N 5 118.500 118.500 118.124 0.376 25753
3761 1 16 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.534 0.968 25753
3762 1 16 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.293 -1.727 25753
3763 1 16 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.784 0.516 25753
3764 1 16 . 1 1 5 5 LYS H H 5 7.965 7.965 7.848 0.117 25753
3765 1 16 . 1 1 6 6 LYS N N 6 121.002 121.002 121.900 -0.898 25753
3766 1 16 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.507 0.206 25753
3767 1 16 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.155 -0.155 25753
3768 1 16 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.308 1.265 25753
3769 1 16 . 1 1 6 6 LYS H H 6 8.980 8.980 7.890 1.090 25753
3770 1 16 . 1 1 7 7 VAL N N 7 127.157 127.157 124.365 2.792 25753
3771 1 16 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.858 0.055 25753
3772 1 16 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.526 0.875 25753
3773 1 16 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.658 0.006 25753
3774 1 16 . 1 1 7 7 VAL H H 7 8.756 8.756 8.551 0.205 25753
3775 1 16 . 1 1 8 8 TYR N N 8 129.707 129.707 129.424 0.283 25753
3776 1 16 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.345 0.038 25753
3777 1 16 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.553 -3.403 25753
3778 1 16 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.610 -3.989 25753
3779 1 16 . 1 1 8 8 TYR H H 8 9.160 9.160 8.143 1.017 25753
3780 1 16 . 1 1 9 9 GLU N N 9 130.601 130.601 122.919 7.682 25753
3781 1 16 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.069 0.051 25753
3782 1 16 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.831 -0.933 25753
3783 1 16 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.034 -1.021 25753
3784 1 16 . 1 1 9 9 GLU H H 9 8.964 8.964 8.923 0.041 25753
3785 1 16 . 1 1 10 10 ASN N N 10 115.766 115.766 114.428 1.338 25753
3786 1 16 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.802 -0.437 25753
3787 1 16 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.274 0.926 25753
3788 1 16 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.963 -2.003 25753
3789 1 16 . 1 1 10 10 ASN H H 10 9.232 9.232 8.178 1.054 25753
3790 1 16 . 1 1 11 11 TYR N N 11 122.267 122.267 121.462 0.805 25753
3791 1 16 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.648 -0.513 25753
3792 1 16 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.968 1.979 25753
3793 1 16 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.480 -1.375 25753
3794 1 16 . 1 1 11 11 TYR H H 11 7.473 7.473 8.433 -0.960 25753
3795 1 16 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.577 -0.145 25753
3796 1 16 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.783 -0.936 25753
3797 1 16 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.666 -2.416 25753
3798 1 16 . 1 1 13 13 VAL N N 13 123.595 123.595 125.157 -1.562 25753
3799 1 16 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.645 0.109 25753
3800 1 16 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.304 0.196 25753
3801 1 16 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.911 -0.800 25753
3802 1 16 . 1 1 13 13 VAL H H 13 8.102 8.102 8.599 -0.497 25753
3803 1 16 . 1 1 14 14 SER N N 14 116.945 116.945 115.218 1.727 25753
3804 1 16 . 1 1 14 14 SER HA H 14 4.119 4.119 4.220 -0.101 25753
3805 1 16 . 1 1 14 14 SER CA C 14 61.050 61.050 61.672 -0.622 25753
3806 1 16 . 1 1 14 14 SER CB C 14 61.239 61.239 62.921 -1.682 25753
3807 1 16 . 1 1 14 14 SER H H 14 8.387 8.387 8.372 0.015 25753
3808 1 16 . 1 1 15 15 LYS N N 15 121.073 121.073 121.745 -0.672 25753
3809 1 16 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.174 -0.105 25753
3810 1 16 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.153 1.147 25753
3811 1 16 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.417 -0.182 25753
3812 1 16 . 1 1 15 15 LYS H H 15 7.821 7.821 8.320 -0.499 25753
3813 1 16 . 1 1 16 16 CYS N N 16 115.469 115.469 119.165 -3.696 25753
3814 1 16 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.293 0.443 25753
3815 1 16 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.145 -3.345 25753
3816 1 16 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.012 14.242 25753
3817 1 16 . 1 1 16 16 CYS H H 16 7.844 7.844 7.645 0.199 25753
3818 1 16 . 1 1 17 17 GLN N N 17 115.128 115.128 117.199 -2.071 25753
3819 1 16 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.042 0.171 25753
3820 1 16 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.586 -1.486 25753
3821 1 16 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.977 -0.376 25753
3822 1 16 . 1 1 17 17 GLN H H 17 7.381 7.381 7.493 -0.112 25753
3823 1 16 . 1 1 18 18 LEU N N 18 120.972 120.972 120.173 0.799 25753
3824 1 16 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.632 -0.126 25753
3825 1 16 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.196 0.104 25753
3826 1 16 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.179 -0.085 25753
3827 1 16 . 1 1 18 18 LEU H H 18 7.286 7.286 7.906 -0.620 25753
3828 1 16 . 1 1 19 19 ALA N N 19 127.694 127.694 128.870 -1.176 25753
3829 1 16 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.995 0.120 25753
3830 1 16 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.438 -1.838 25753
3831 1 16 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.529 -0.629 25753
3832 1 16 . 1 1 19 19 ALA H H 19 8.556 8.556 8.985 -0.429 25753
3833 1 16 . 1 1 20 20 ASN N N 20 116.006 116.006 114.979 1.027 25753
3834 1 16 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.490 0.138 25753
3835 1 16 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.997 -1.297 25753
3836 1 16 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.958 1.035 25753
3837 1 16 . 1 1 20 20 ASN H H 20 9.044 9.044 8.759 0.285 25753
3838 1 16 . 1 1 21 21 GLN N N 21 122.731 122.731 120.889 1.842 25753
3839 1 16 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.322 -0.491 25753
3840 1 16 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.174 0.026 25753
3841 1 16 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.988 0.102 25753
3842 1 16 . 1 1 21 21 GLN H H 21 7.662 7.662 7.830 -0.168 25753
3843 1 16 . 1 1 22 22 CYS N N 22 118.925 118.925 119.909 -0.984 25753
3844 1 16 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.148 0.115 25753
3845 1 16 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.813 -5.713 25753
3846 1 16 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.444 12.056 25753
3847 1 16 . 1 1 22 22 CYS H H 22 8.475 8.475 7.931 0.544 25753
3848 1 16 . 1 1 23 23 ASN N N 23 118.714 118.714 118.045 0.669 25753
3849 1 16 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.429 -0.623 25753
3850 1 16 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.153 0.247 25753
3851 1 16 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.479 0.552 25753
3852 1 16 . 1 1 23 23 ASN H H 23 7.972 7.972 8.202 -0.230 25753
3853 1 16 . 1 1 24 24 TYR N N 24 117.828 117.828 120.085 -2.257 25753
3854 1 16 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.106 -0.193 25753
3855 1 16 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.406 -0.206 25753
3856 1 16 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.371 -0.288 25753
3857 1 16 . 1 1 24 24 TYR H H 24 8.107 8.107 7.778 0.329 25753
3858 1 16 . 1 1 25 25 ASP N N 25 119.620 119.620 117.071 2.549 25753
3859 1 16 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.319 0.310 25753
3860 1 16 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.816 0.584 25753
3861 1 16 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.884 -1.584 25753
3862 1 16 . 1 1 25 25 ASP H H 25 9.064 9.064 8.368 0.696 25753
3863 1 16 . 1 1 26 26 CYS N N 26 120.031 120.031 120.462 -0.431 25753
3864 1 16 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.215 -0.110 25753
3865 1 16 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.633 -1.433 25753
3866 1 16 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.530 10.070 25753
3867 1 16 . 1 1 26 26 CYS H H 26 9.280 9.280 8.340 0.940 25753
3868 1 16 . 1 1 27 27 LYS N N 27 119.838 119.838 118.981 0.857 25753
3869 1 16 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.184 -0.080 25753
3870 1 16 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.006 1.294 25753
3871 1 16 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.012 0.188 25753
3872 1 16 . 1 1 27 27 LYS H H 27 7.646 7.646 8.451 -0.805 25753
3873 1 16 . 1 1 28 28 LEU N N 28 119.791 119.791 121.359 -1.568 25753
3874 1 16 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.108 -0.073 25753
3875 1 16 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.439 -0.239 25753
3876 1 16 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.741 -0.749 25753
3877 1 16 . 1 1 28 28 LEU H H 28 8.257 8.257 7.719 0.538 25753
3878 1 16 . 1 1 29 29 ASP N N 29 116.737 116.737 118.999 -2.262 25753
3879 1 16 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.649 -0.173 25753
3880 1 16 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.719 -1.122 25753
3881 1 16 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.418 -1.118 25753
3882 1 16 . 1 1 29 29 ASP H H 29 8.977 8.977 8.633 0.344 25753
3883 1 16 . 1 1 30 30 LYS N N 30 111.907 111.907 116.437 -4.530 25753
3884 1 16 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.297 0.184 25753
3885 1 16 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.986 -3.007 25753
3886 1 16 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.858 -1.374 25753
3887 1 16 . 1 1 30 30 LYS H H 30 6.618 6.618 7.820 -1.202 25753
3888 1 16 . 1 1 31 31 HIS N N 31 112.966 112.966 115.844 -2.878 25753
3889 1 16 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.255 0.287 25753
3890 1 16 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.654 -0.753 25753
3891 1 16 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.349 -2.882 25753
3892 1 16 . 1 1 31 31 HIS H H 31 7.013 7.013 7.855 -0.842 25753
3893 1 16 . 1 1 32 32 ALA N N 32 120.001 120.001 119.606 0.395 25753
3894 1 16 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.749 0.306 25753
3895 1 16 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.648 -1.248 25753
3896 1 16 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.698 -0.798 25753
3897 1 16 . 1 1 32 32 ALA H H 32 7.644 7.644 7.190 0.454 25753
3898 1 16 . 1 1 33 33 ARG N N 33 116.588 116.588 119.779 -3.191 25753
3899 1 16 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.015 0.122 25753
3900 1 16 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.626 -0.728 25753
3901 1 16 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.669 -0.282 25753
3902 1 16 . 1 1 33 33 ARG H H 33 8.254 8.254 8.337 -0.083 25753
3903 1 16 . 1 1 34 34 SER N N 34 109.178 109.178 109.704 -0.526 25753
3904 1 16 . 1 1 34 34 SER HA H 34 4.593 4.593 4.764 -0.171 25753
3905 1 16 . 1 1 34 34 SER CA C 34 57.500 57.500 57.341 0.159 25753
3906 1 16 . 1 1 34 34 SER CB C 34 64.825 64.825 66.950 -2.124 25753
3907 1 16 . 1 1 34 34 SER H H 34 7.989 7.989 7.852 0.137 25753
3908 1 16 . 1 1 35 35 GLY N N 35 107.345 107.345 106.727 0.618 25753
3909 1 16 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.810 0.890 25753
3910 1 16 . 1 1 35 35 GLY H H 35 8.633 8.633 8.653 -0.020 25753
3911 1 16 . 1 1 36 36 GLU N N 36 118.288 118.288 121.930 -3.642 25753
3912 1 16 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.838 -0.546 25753
3913 1 16 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.696 0.504 25753
3914 1 16 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.824 -2.160 25753
3915 1 16 . 1 1 36 36 GLU H H 36 8.236 8.236 9.091 -0.855 25753
3916 1 16 . 1 1 37 37 CYS N N 37 120.776 120.776 118.965 1.811 25753
3917 1 16 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.123 0.880 25753
3918 1 16 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.482 -2.282 25753
3919 1 16 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.522 17.178 25753
3920 1 16 . 1 1 37 37 CYS H H 37 8.856 8.856 8.671 0.185 25753
3921 1 16 . 1 1 38 38 PHE N N 38 121.520 121.520 121.966 -0.446 25753
3922 1 16 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.859 -0.172 25753
3923 1 16 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.671 0.829 25753
3924 1 16 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.517 0.496 25753
3925 1 16 . 1 1 38 38 PHE H H 38 9.082 9.082 9.160 -0.078 25753
3926 1 16 . 1 1 39 39 TYR N N 39 122.581 122.581 122.315 0.266 25753
3927 1 16 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
3928 1 16 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.258 0.542 25753
3929 1 16 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.951 0.149 25753
3930 1 16 . 1 1 39 39 TYR H H 39 8.683 8.683 8.598 0.085 25753
3931 1 16 . 1 1 40 40 LYS N N 40 126.022 126.022 125.399 0.623 25753
3932 1 16 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.581 -0.262 25753
3933 1 16 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.069 0.631 25753
3934 1 16 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.195 -1.395 25753
3935 1 16 . 1 1 40 40 LYS H H 40 8.319 8.319 8.446 -0.127 25753
3936 1 16 . 1 1 41 41 GLU N N 41 120.017 120.017 117.699 2.318 25753
3937 1 16 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.099 0.028 25753
3938 1 16 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.048 -1.248 25753
3939 1 16 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.954 0.109 25753
3940 1 16 . 1 1 41 41 GLU H H 41 8.657 8.657 8.540 0.117 25753
3941 1 16 . 1 1 42 42 LYS N N 42 116.887 116.887 121.254 -4.367 25753
3942 1 16 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.210 -0.418 25753
3943 1 16 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.096 -0.396 25753
3944 1 16 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.581 -1.781 25753
3945 1 16 . 1 1 42 42 LYS H H 42 8.468 8.468 8.313 0.155 25753
3946 1 16 . 1 1 43 43 ARG N N 43 115.559 115.559 116.638 -1.079 25753
3947 1 16 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.445 -0.219 25753
3948 1 16 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.985 0.015 25753
3949 1 16 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.995 -1.195 25753
3950 1 16 . 1 1 43 43 ARG H H 43 8.165 8.165 8.112 0.053 25753
3951 1 16 . 1 1 44 44 ASN N N 44 117.868 117.868 119.585 -1.717 25753
3952 1 16 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.655 0.226 25753
3953 1 16 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.755 -1.355 25753
3954 1 16 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.279 -0.078 25753
3955 1 16 . 1 1 44 44 ASN H H 44 7.983 7.983 7.862 0.121 25753
3956 1 16 . 1 1 45 45 LEU N N 45 125.712 125.712 120.868 4.844 25753
3957 1 16 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.638 -0.332 25753
3958 1 16 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.792 1.308 25753
3959 1 16 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.907 -2.840 25753
3960 1 16 . 1 1 45 45 LEU H H 45 8.193 8.193 8.413 -0.220 25753
3961 1 16 . 1 1 46 46 GLN N N 46 120.613 120.613 119.470 1.143 25753
3962 1 16 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.679 -0.014 25753
3963 1 16 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.133 -0.133 25753
3964 1 16 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.028 -1.067 25753
3965 1 16 . 1 1 46 46 GLN H H 46 8.425 8.425 8.779 -0.354 25753
3966 1 16 . 1 1 47 47 CYS N N 47 122.193 122.193 121.091 1.102 25753
3967 1 16 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.001 -0.198 25753
3968 1 16 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.593 -3.893 25753
3969 1 16 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.773 10.226 25753
3970 1 16 . 1 1 47 47 CYS H H 47 9.198 9.198 8.942 0.256 25753
3971 1 16 . 1 1 48 48 ILE N N 48 129.093 129.093 125.460 3.633 25753
3972 1 16 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.626 -0.326 25753
3973 1 16 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.794 0.406 25753
3974 1 16 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.361 -2.261 25753
3975 1 16 . 1 1 48 48 ILE H H 48 8.696 8.696 8.870 -0.174 25753
3976 1 16 . 1 1 49 49 CYS N N 49 126.279 126.279 124.272 2.007 25753
3977 1 16 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.497 0.770 25753
3978 1 16 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.080 -7.693 25753
3979 1 16 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.639 5.908 25753
3980 1 16 . 1 1 49 49 CYS H H 49 8.555 8.555 8.926 -0.371 25753
3981 1 16 . 1 1 50 50 ASP N N 50 122.491 122.491 118.109 4.382 25753
3982 1 16 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.904 0.559 25753
3983 1 16 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.879 -1.779 25753
3984 1 16 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.226 -1.180 25753
3985 1 16 . 1 1 50 50 ASP H H 50 8.813 8.813 8.608 0.205 25753
3986 1 16 . 1 1 51 51 TYR N N 51 124.921 124.921 122.280 2.641 25753
3987 1 16 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.833 -0.633 25753
3988 1 16 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.032 2.068 25753
3989 1 16 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.139 -0.639 25753
3990 1 16 . 1 1 51 51 TYR H H 51 9.633 9.633 8.013 1.620 25753
3991 1 16 . 1 1 52 52 CYS N N 52 120.435 120.435 113.403 7.032 25753
3992 1 16 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.726 -0.312 25753
3993 1 16 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.187 -3.387 25753
3994 1 16 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.463 14.537 25753
3995 1 16 . 1 1 52 52 CYS H H 52 9.550 9.550 7.780 1.770 25753
3996 1 16 . 1 1 53 53 GLU N N 53 120.972 120.972 120.928 0.044 25753
3997 1 16 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.473 -0.226 25753
3998 1 16 . 1 1 53 53 GLU CA C 53 55.300 55.300 54.946 0.354 25753
3999 1 16 . 1 1 53 53 GLU CB C 53 31.073 31.073 32.234 -1.161 25753
4000 1 16 . 1 1 53 53 GLU H H 53 8.335 8.335 8.107 0.228 25753
4001 1 17 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.372 -0.102 25753
4002 1 17 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.689 0.522 25753
4003 1 17 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.505 -0.183 25753
4004 1 17 . 1 1 3 3 LYS H H 3 8.214 8.214 8.151 0.063 25753
4005 1 17 . 1 1 4 4 CYS N N 4 116.570 116.570 118.307 -1.737 25753
4006 1 17 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.271 0.423 25753
4007 1 17 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.673 -3.901 25753
4008 1 17 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.603 14.997 25753
4009 1 17 . 1 1 4 4 CYS H H 4 8.430 8.430 8.437 -0.007 25753
4010 1 17 . 1 1 5 5 LYS N N 5 118.500 118.500 118.049 0.451 25753
4011 1 17 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.538 0.964 25753
4012 1 17 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.262 -1.696 25753
4013 1 17 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.759 0.541 25753
4014 1 17 . 1 1 5 5 LYS H H 5 7.965 7.965 7.911 0.054 25753
4015 1 17 . 1 1 6 6 LYS N N 6 121.002 121.002 121.267 -0.265 25753
4016 1 17 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.538 0.175 25753
4017 1 17 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.239 -0.239 25753
4018 1 17 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.702 0.871 25753
4019 1 17 . 1 1 6 6 LYS H H 6 8.980 8.980 7.926 1.054 25753
4020 1 17 . 1 1 7 7 VAL N N 7 127.157 127.157 123.147 4.010 25753
4021 1 17 . 1 1 7 7 VAL HA H 7 3.913 3.913 4.012 -0.099 25753
4022 1 17 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.076 1.324 25753
4023 1 17 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.913 -0.249 25753
4024 1 17 . 1 1 7 7 VAL H H 7 8.756 8.756 8.539 0.217 25753
4025 1 17 . 1 1 8 8 TYR N N 8 129.707 129.707 130.151 -0.444 25753
4026 1 17 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.241 0.142 25753
4027 1 17 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.742 -3.592 25753
4028 1 17 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.548 -3.928 25753
4029 1 17 . 1 1 8 8 TYR H H 8 9.160 9.160 8.224 0.936 25753
4030 1 17 . 1 1 9 9 GLU N N 9 130.601 130.601 123.023 7.578 25753
4031 1 17 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753
4032 1 17 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.969 -1.071 25753
4033 1 17 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.952 -0.939 25753
4034 1 17 . 1 1 9 9 GLU H H 9 8.964 8.964 8.704 0.260 25753
4035 1 17 . 1 1 10 10 ASN N N 10 115.766 115.766 114.490 1.276 25753
4036 1 17 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.830 -0.465 25753
4037 1 17 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.226 0.974 25753
4038 1 17 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.590 -1.630 25753
4039 1 17 . 1 1 10 10 ASN H H 10 9.232 9.232 8.445 0.787 25753
4040 1 17 . 1 1 11 11 TYR N N 11 122.267 122.267 122.880 -0.613 25753
4041 1 17 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.713 -0.578 25753
4042 1 17 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.848 2.099 25753
4043 1 17 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.762 -0.657 25753
4044 1 17 . 1 1 11 11 TYR H H 11 7.473 7.473 8.338 -0.865 25753
4045 1 17 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.555 -0.123 25753
4046 1 17 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.543 -0.696 25753
4047 1 17 . 1 1 12 12 PRO CB C 12 30.250 30.250 33.110 -2.860 25753
4048 1 17 . 1 1 13 13 VAL N N 13 123.595 123.595 124.010 -0.415 25753
4049 1 17 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.649 0.105 25753
4050 1 17 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.698 -0.198 25753
4051 1 17 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.960 -0.849 25753
4052 1 17 . 1 1 13 13 VAL H H 13 8.102 8.102 8.611 -0.509 25753
4053 1 17 . 1 1 14 14 SER N N 14 116.945 116.945 113.834 3.111 25753
4054 1 17 . 1 1 14 14 SER HA H 14 4.119 4.119 4.229 -0.110 25753
4055 1 17 . 1 1 14 14 SER CA C 14 61.050 61.050 61.100 -0.050 25753
4056 1 17 . 1 1 14 14 SER CB C 14 61.239 61.239 62.697 -1.458 25753
4057 1 17 . 1 1 14 14 SER H H 14 8.387 8.387 8.367 0.020 25753
4058 1 17 . 1 1 15 15 LYS N N 15 121.073 121.073 120.525 0.548 25753
4059 1 17 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.211 -0.142 25753
4060 1 17 . 1 1 15 15 LYS CA C 15 59.300 59.300 59.036 0.264 25753
4061 1 17 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.825 -1.590 25753
4062 1 17 . 1 1 15 15 LYS H H 15 7.821 7.821 7.415 0.406 25753
4063 1 17 . 1 1 16 16 CYS N N 16 115.469 115.469 119.351 -3.882 25753
4064 1 17 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.285 0.451 25753
4065 1 17 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.577 -3.777 25753
4066 1 17 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.849 14.405 25753
4067 1 17 . 1 1 16 16 CYS H H 16 7.844 7.844 7.753 0.091 25753
4068 1 17 . 1 1 17 17 GLN N N 17 115.128 115.128 117.174 -2.046 25753
4069 1 17 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.033 0.180 25753
4070 1 17 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.897 -1.797 25753
4071 1 17 . 1 1 17 17 GLN CB C 17 28.600 28.600 29.024 -0.424 25753
4072 1 17 . 1 1 17 17 GLN H H 17 7.381 7.381 7.641 -0.260 25753
4073 1 17 . 1 1 18 18 LEU N N 18 120.972 120.972 119.743 1.229 25753
4074 1 17 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.657 -0.151 25753
4075 1 17 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.075 0.225 25753
4076 1 17 . 1 1 18 18 LEU CB C 18 42.094 42.094 41.999 0.095 25753
4077 1 17 . 1 1 18 18 LEU H H 18 7.286 7.286 7.979 -0.693 25753
4078 1 17 . 1 1 19 19 ALA N N 19 127.694 127.694 129.584 -1.890 25753
4079 1 17 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.942 0.173 25753
4080 1 17 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.503 -1.903 25753
4081 1 17 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.404 -0.504 25753
4082 1 17 . 1 1 19 19 ALA H H 19 8.556 8.556 8.992 -0.436 25753
4083 1 17 . 1 1 20 20 ASN N N 20 116.006 116.006 114.611 1.395 25753
4084 1 17 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.476 0.152 25753
4085 1 17 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.965 -1.265 25753
4086 1 17 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.995 0.998 25753
4087 1 17 . 1 1 20 20 ASN H H 20 9.044 9.044 8.738 0.306 25753
4088 1 17 . 1 1 21 21 GLN N N 21 122.731 122.731 120.479 2.252 25753
4089 1 17 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.357 -0.526 25753
4090 1 17 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.853 0.347 25753
4091 1 17 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.191 -0.101 25753
4092 1 17 . 1 1 21 21 GLN H H 21 7.662 7.662 7.980 -0.318 25753
4093 1 17 . 1 1 22 22 CYS N N 22 118.925 118.925 120.774 -1.849 25753
4094 1 17 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.066 0.197 25753
4095 1 17 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.657 -5.557 25753
4096 1 17 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.398 12.102 25753
4097 1 17 . 1 1 22 22 CYS H H 22 8.475 8.475 8.215 0.260 25753
4098 1 17 . 1 1 23 23 ASN N N 23 118.714 118.714 117.869 0.845 25753
4099 1 17 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.375 -0.569 25753
4100 1 17 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.191 0.209 25753
4101 1 17 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.401 0.630 25753
4102 1 17 . 1 1 23 23 ASN H H 23 7.972 7.972 8.198 -0.226 25753
4103 1 17 . 1 1 24 24 TYR N N 24 117.828 117.828 119.611 -1.783 25753
4104 1 17 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.119 -0.205 25753
4105 1 17 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.417 -0.217 25753
4106 1 17 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.361 -0.278 25753
4107 1 17 . 1 1 24 24 TYR H H 24 8.107 8.107 7.707 0.400 25753
4108 1 17 . 1 1 25 25 ASP N N 25 119.620 119.620 117.153 2.467 25753
4109 1 17 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.286 0.343 25753
4110 1 17 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.349 0.051 25753
4111 1 17 . 1 1 25 25 ASP CB C 25 40.300 40.300 42.045 -1.746 25753
4112 1 17 . 1 1 25 25 ASP H H 25 9.064 9.064 8.245 0.819 25753
4113 1 17 . 1 1 26 26 CYS N N 26 120.031 120.031 120.615 -0.584 25753
4114 1 17 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.124 -0.019 25753
4115 1 17 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.628 -1.428 25753
4116 1 17 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.334 10.266 25753
4117 1 17 . 1 1 26 26 CYS H H 26 9.280 9.280 8.420 0.860 25753
4118 1 17 . 1 1 27 27 LYS N N 27 119.838 119.838 118.930 0.908 25753
4119 1 17 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.237 -0.133 25753
4120 1 17 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.002 1.298 25753
4121 1 17 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.067 0.133 25753
4122 1 17 . 1 1 27 27 LYS H H 27 7.646 7.646 8.449 -0.803 25753
4123 1 17 . 1 1 28 28 LEU N N 28 119.791 119.791 120.905 -1.114 25753
4124 1 17 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.130 -0.095 25753
4125 1 17 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.435 -0.235 25753
4126 1 17 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.925 -0.933 25753
4127 1 17 . 1 1 28 28 LEU H H 28 8.257 8.257 7.775 0.482 25753
4128 1 17 . 1 1 29 29 ASP N N 29 116.737 116.737 117.901 -1.164 25753
4129 1 17 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.417 0.059 25753
4130 1 17 . 1 1 29 29 ASP CA C 29 55.597 55.597 57.288 -1.691 25753
4131 1 17 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.548 -1.248 25753
4132 1 17 . 1 1 29 29 ASP H H 29 8.977 8.977 8.501 0.476 25753
4133 1 17 . 1 1 30 30 LYS N N 30 111.907 111.907 116.484 -4.577 25753
4134 1 17 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.182 0.299 25753
4135 1 17 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.331 -3.352 25753
4136 1 17 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.651 -1.167 25753
4137 1 17 . 1 1 30 30 LYS H H 30 6.618 6.618 7.577 -0.959 25753
4138 1 17 . 1 1 31 31 HIS N N 31 112.966 112.966 114.007 -1.041 25753
4139 1 17 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.285 0.257 25753
4140 1 17 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.803 -0.903 25753
4141 1 17 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.903 -1.436 25753
4142 1 17 . 1 1 31 31 HIS H H 31 7.013 7.013 7.553 -0.540 25753
4143 1 17 . 1 1 32 32 ALA N N 32 120.001 120.001 119.751 0.250 25753
4144 1 17 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.842 0.213 25753
4145 1 17 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.480 -1.080 25753
4146 1 17 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.722 -0.822 25753
4147 1 17 . 1 1 32 32 ALA H H 32 7.644 7.644 7.329 0.315 25753
4148 1 17 . 1 1 33 33 ARG N N 33 116.588 116.588 120.664 -4.076 25753
4149 1 17 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.997 0.140 25753
4150 1 17 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.155 -1.257 25753
4151 1 17 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.688 -0.301 25753
4152 1 17 . 1 1 33 33 ARG H H 33 8.254 8.254 8.423 -0.169 25753
4153 1 17 . 1 1 34 34 SER N N 34 109.178 109.178 108.488 0.690 25753
4154 1 17 . 1 1 34 34 SER HA H 34 4.593 4.593 5.101 -0.508 25753
4155 1 17 . 1 1 34 34 SER CA C 34 57.500 57.500 57.160 0.341 25753
4156 1 17 . 1 1 34 34 SER CB C 34 64.825 64.825 67.150 -2.325 25753
4157 1 17 . 1 1 34 34 SER H H 34 7.989 7.989 7.605 0.384 25753
4158 1 17 . 1 1 35 35 GLY N N 35 107.345 107.345 106.717 0.628 25753
4159 1 17 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.750 0.950 25753
4160 1 17 . 1 1 35 35 GLY H H 35 8.633 8.633 8.115 0.518 25753
4161 1 17 . 1 1 36 36 GLU N N 36 118.288 118.288 121.015 -2.727 25753
4162 1 17 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.811 -0.519 25753
4163 1 17 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.336 0.864 25753
4164 1 17 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.834 -1.170 25753
4165 1 17 . 1 1 36 36 GLU H H 36 8.236 8.236 8.523 -0.287 25753
4166 1 17 . 1 1 37 37 CYS N N 37 120.776 120.776 118.186 2.590 25753
4167 1 17 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.848 1.155 25753
4168 1 17 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.356 -2.156 25753
4169 1 17 . 1 1 37 37 CYS CB C 37 45.700 45.700 27.758 17.942 25753
4170 1 17 . 1 1 37 37 CYS H H 37 8.856 8.856 8.531 0.325 25753
4171 1 17 . 1 1 38 38 PHE N N 38 121.520 121.520 123.251 -1.731 25753
4172 1 17 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.789 -0.102 25753
4173 1 17 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.717 0.783 25753
4174 1 17 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.590 -0.577 25753
4175 1 17 . 1 1 38 38 PHE H H 38 9.082 9.082 9.249 -0.167 25753
4176 1 17 . 1 1 39 39 TYR N N 39 122.581 122.581 123.604 -1.023 25753
4177 1 17 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
4178 1 17 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.231 0.569 25753
4179 1 17 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.078 0.022 25753
4180 1 17 . 1 1 39 39 TYR H H 39 8.683 8.683 8.471 0.212 25753
4181 1 17 . 1 1 40 40 LYS N N 40 126.022 126.022 125.364 0.658 25753
4182 1 17 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.600 -0.281 25753
4183 1 17 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.739 0.961 25753
4184 1 17 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.487 -1.687 25753
4185 1 17 . 1 1 40 40 LYS H H 40 8.319 8.319 8.402 -0.083 25753
4186 1 17 . 1 1 41 41 GLU N N 41 120.017 120.017 117.936 2.081 25753
4187 1 17 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.091 0.036 25753
4188 1 17 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.963 -1.163 25753
4189 1 17 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.219 -0.156 25753
4190 1 17 . 1 1 41 41 GLU H H 41 8.657 8.657 8.599 0.058 25753
4191 1 17 . 1 1 42 42 LYS N N 42 116.887 116.887 121.017 -4.130 25753
4192 1 17 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.147 -0.355 25753
4193 1 17 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.139 -0.439 25753
4194 1 17 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.467 -1.667 25753
4195 1 17 . 1 1 42 42 LYS H H 42 8.468 8.468 8.425 0.043 25753
4196 1 17 . 1 1 43 43 ARG N N 43 115.559 115.559 115.453 0.106 25753
4197 1 17 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.533 -0.307 25753
4198 1 17 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.472 0.528 25753
4199 1 17 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.075 -1.275 25753
4200 1 17 . 1 1 43 43 ARG H H 43 8.165 8.165 8.368 -0.203 25753
4201 1 17 . 1 1 44 44 ASN N N 44 117.868 117.868 118.745 -0.877 25753
4202 1 17 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.634 0.247 25753
4203 1 17 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.947 -1.547 25753
4204 1 17 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.236 -0.036 25753
4205 1 17 . 1 1 44 44 ASN H H 44 7.983 7.983 8.254 -0.271 25753
4206 1 17 . 1 1 45 45 LEU N N 45 125.712 125.712 121.417 4.295 25753
4207 1 17 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.625 -0.319 25753
4208 1 17 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.716 1.384 25753
4209 1 17 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.869 -2.802 25753
4210 1 17 . 1 1 45 45 LEU H H 45 8.193 8.193 8.351 -0.158 25753
4211 1 17 . 1 1 46 46 GLN N N 46 120.613 120.613 119.426 1.187 25753
4212 1 17 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.678 -0.013 25753
4213 1 17 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.103 -0.103 25753
4214 1 17 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.908 -0.948 25753
4215 1 17 . 1 1 46 46 GLN H H 46 8.425 8.425 8.769 -0.344 25753
4216 1 17 . 1 1 47 47 CYS N N 47 122.193 122.193 122.486 -0.293 25753
4217 1 17 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.033 -0.230 25753
4218 1 17 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.534 -3.834 25753
4219 1 17 . 1 1 47 47 CYS CB C 47 38.000 38.000 26.598 11.402 25753
4220 1 17 . 1 1 47 47 CYS H H 47 9.198 9.198 8.877 0.321 25753
4221 1 17 . 1 1 48 48 ILE N N 48 129.093 129.093 125.201 3.892 25753
4222 1 17 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.328 -0.028 25753
4223 1 17 . 1 1 48 48 ILE CA C 48 60.200 60.200 60.032 0.168 25753
4224 1 17 . 1 1 48 48 ILE CB C 48 38.100 38.100 38.150 -0.050 25753
4225 1 17 . 1 1 48 48 ILE H H 48 8.696 8.696 8.169 0.527 25753
4226 1 17 . 1 1 49 49 CYS N N 49 126.279 126.279 125.852 0.427 25753
4227 1 17 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.358 0.909 25753
4228 1 17 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.760 -7.372 25753
4229 1 17 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.797 5.750 25753
4230 1 17 . 1 1 49 49 CYS H H 49 8.555 8.555 9.000 -0.445 25753
4231 1 17 . 1 1 50 50 ASP N N 50 122.491 122.491 118.929 3.562 25753
4232 1 17 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.912 0.551 25753
4233 1 17 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.951 -1.851 25753
4234 1 17 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.814 -1.768 25753
4235 1 17 . 1 1 50 50 ASP H H 50 8.813 8.813 8.504 0.309 25753
4236 1 17 . 1 1 51 51 TYR N N 51 124.921 124.921 120.517 4.404 25753
4237 1 17 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.804 -0.604 25753
4238 1 17 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.735 1.365 25753
4239 1 17 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.355 -0.855 25753
4240 1 17 . 1 1 51 51 TYR H H 51 9.633 9.633 8.565 1.068 25753
4241 1 17 . 1 1 52 52 CYS N N 52 120.435 120.435 117.181 3.254 25753
4242 1 17 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.751 -0.337 25753
4243 1 17 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.647 -2.847 25753
4244 1 17 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.050 12.950 25753
4245 1 17 . 1 1 52 52 CYS H H 52 9.550 9.550 8.132 1.418 25753
4246 1 17 . 1 1 53 53 GLU N N 53 120.972 120.972 118.426 2.546 25753
4247 1 17 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.649 -0.402 25753
4248 1 17 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.068 -0.768 25753
4249 1 17 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.213 -0.140 25753
4250 1 17 . 1 1 53 53 GLU H H 53 8.335 8.335 8.405 -0.070 25753
4251 1 18 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.347 -0.077 25753
4252 1 18 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.565 0.646 25753
4253 1 18 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.988 -0.666 25753
4254 1 18 . 1 1 3 3 LYS H H 3 8.214 8.214 8.156 0.058 25753
4255 1 18 . 1 1 4 4 CYS N N 4 116.570 116.570 120.128 -3.558 25753
4256 1 18 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.337 0.357 25753
4257 1 18 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.636 -3.864 25753
4258 1 18 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.175 14.425 25753
4259 1 18 . 1 1 4 4 CYS H H 4 8.430 8.430 8.366 0.064 25753
4260 1 18 . 1 1 5 5 LYS N N 5 118.500 118.500 120.144 -1.644 25753
4261 1 18 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.647 0.855 25753
4262 1 18 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.369 -1.803 25753
4263 1 18 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.581 0.719 25753
4264 1 18 . 1 1 5 5 LYS H H 5 7.965 7.965 8.005 -0.040 25753
4265 1 18 . 1 1 6 6 LYS N N 6 121.002 121.002 122.822 -1.820 25753
4266 1 18 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.505 0.208 25753
4267 1 18 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.145 0.855 25753
4268 1 18 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.017 0.556 25753
4269 1 18 . 1 1 6 6 LYS H H 6 8.980 8.980 7.920 1.060 25753
4270 1 18 . 1 1 7 7 VAL N N 7 127.157 127.157 122.787 4.370 25753
4271 1 18 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.996 -0.083 25753
4272 1 18 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.771 1.629 25753
4273 1 18 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.736 -0.072 25753
4274 1 18 . 1 1 7 7 VAL H H 7 8.756 8.756 8.475 0.281 25753
4275 1 18 . 1 1 8 8 TYR N N 8 129.707 129.707 129.699 0.008 25753
4276 1 18 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.318 0.065 25753
4277 1 18 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.703 -3.553 25753
4278 1 18 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.533 -3.912 25753
4279 1 18 . 1 1 8 8 TYR H H 8 9.160 9.160 7.942 1.218 25753
4280 1 18 . 1 1 9 9 GLU N N 9 130.601 130.601 122.969 7.632 25753
4281 1 18 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.100 0.020 25753
4282 1 18 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.685 -0.787 25753
4283 1 18 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.965 -0.952 25753
4284 1 18 . 1 1 9 9 GLU H H 9 8.964 8.964 8.860 0.104 25753
4285 1 18 . 1 1 10 10 ASN N N 10 115.766 115.766 115.816 -0.050 25753
4286 1 18 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.852 -0.487 25753
4287 1 18 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.041 1.159 25753
4288 1 18 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.455 -2.495 25753
4289 1 18 . 1 1 10 10 ASN H H 10 9.232 9.232 8.227 1.005 25753
4290 1 18 . 1 1 11 11 TYR N N 11 122.267 122.267 122.111 0.156 25753
4291 1 18 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.698 -0.563 25753
4292 1 18 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.923 2.024 25753
4293 1 18 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.104 -0.999 25753
4294 1 18 . 1 1 11 11 TYR H H 11 7.473 7.473 8.422 -0.949 25753
4295 1 18 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.578 -0.146 25753
4296 1 18 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.787 -0.940 25753
4297 1 18 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.637 -2.387 25753
4298 1 18 . 1 1 13 13 VAL N N 13 123.595 123.595 125.191 -1.596 25753
4299 1 18 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.667 0.087 25753
4300 1 18 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.195 0.304 25753
4301 1 18 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.835 -0.724 25753
4302 1 18 . 1 1 13 13 VAL H H 13 8.102 8.102 8.614 -0.512 25753
4303 1 18 . 1 1 14 14 SER N N 14 116.945 116.945 115.283 1.662 25753
4304 1 18 . 1 1 14 14 SER HA H 14 4.119 4.119 4.298 -0.179 25753
4305 1 18 . 1 1 14 14 SER CA C 14 61.050 61.050 61.277 -0.227 25753
4306 1 18 . 1 1 14 14 SER CB C 14 61.239 61.239 62.874 -1.635 25753
4307 1 18 . 1 1 14 14 SER H H 14 8.387 8.387 8.346 0.041 25753
4308 1 18 . 1 1 15 15 LYS N N 15 121.073 121.073 122.329 -1.256 25753
4309 1 18 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.247 -0.178 25753
4310 1 18 . 1 1 15 15 LYS CA C 15 59.300 59.300 57.732 1.568 25753
4311 1 18 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.551 -0.316 25753
4312 1 18 . 1 1 15 15 LYS H H 15 7.821 7.821 7.653 0.168 25753
4313 1 18 . 1 1 16 16 CYS N N 16 115.469 115.469 119.040 -3.571 25753
4314 1 18 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.291 0.445 25753
4315 1 18 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.207 -3.407 25753
4316 1 18 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.035 14.219 25753
4317 1 18 . 1 1 16 16 CYS H H 16 7.844 7.844 7.587 0.257 25753
4318 1 18 . 1 1 17 17 GLN N N 17 115.128 115.128 117.259 -2.131 25753
4319 1 18 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.053 0.160 25753
4320 1 18 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.656 -1.556 25753
4321 1 18 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.958 -0.358 25753
4322 1 18 . 1 1 17 17 GLN H H 17 7.381 7.381 7.597 -0.216 25753
4323 1 18 . 1 1 18 18 LEU N N 18 120.972 120.972 119.935 1.037 25753
4324 1 18 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.643 -0.137 25753
4325 1 18 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.129 0.171 25753
4326 1 18 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.073 0.021 25753
4327 1 18 . 1 1 18 18 LEU H H 18 7.286 7.286 7.899 -0.613 25753
4328 1 18 . 1 1 19 19 ALA N N 19 127.694 127.694 129.327 -1.633 25753
4329 1 18 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.975 0.140 25753
4330 1 18 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.406 -1.806 25753
4331 1 18 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.441 -0.541 25753
4332 1 18 . 1 1 19 19 ALA H H 19 8.556 8.556 9.000 -0.444 25753
4333 1 18 . 1 1 20 20 ASN N N 20 116.006 116.006 114.812 1.194 25753
4334 1 18 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.490 0.138 25753
4335 1 18 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.904 -1.204 25753
4336 1 18 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.013 0.980 25753
4337 1 18 . 1 1 20 20 ASN H H 20 9.044 9.044 8.738 0.306 25753
4338 1 18 . 1 1 21 21 GLN N N 21 122.731 122.731 120.779 1.952 25753
4339 1 18 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.346 -0.515 25753
4340 1 18 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.063 0.137 25753
4341 1 18 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.080 0.010 25753
4342 1 18 . 1 1 21 21 GLN H H 21 7.662 7.662 7.955 -0.293 25753
4343 1 18 . 1 1 22 22 CYS N N 22 118.925 118.925 120.281 -1.356 25753
4344 1 18 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.172 0.091 25753
4345 1 18 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.711 -5.611 25753
4346 1 18 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.413 12.087 25753
4347 1 18 . 1 1 22 22 CYS H H 22 8.475 8.475 8.022 0.453 25753
4348 1 18 . 1 1 23 23 ASN N N 23 118.714 118.714 117.936 0.778 25753
4349 1 18 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.415 -0.609 25753
4350 1 18 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.163 0.238 25753
4351 1 18 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.444 0.587 25753
4352 1 18 . 1 1 23 23 ASN H H 23 7.972 7.972 8.208 -0.236 25753
4353 1 18 . 1 1 24 24 TYR N N 24 117.828 117.828 119.995 -2.167 25753
4354 1 18 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.113 -0.199 25753
4355 1 18 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.423 -0.223 25753
4356 1 18 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.371 -0.288 25753
4357 1 18 . 1 1 24 24 TYR H H 24 8.107 8.107 7.719 0.388 25753
4358 1 18 . 1 1 25 25 ASP N N 25 119.620 119.620 117.150 2.470 25753
4359 1 18 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.396 0.233 25753
4360 1 18 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.647 0.754 25753
4361 1 18 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.924 -1.624 25753
4362 1 18 . 1 1 25 25 ASP H H 25 9.064 9.064 8.385 0.679 25753
4363 1 18 . 1 1 26 26 CYS N N 26 120.031 120.031 120.482 -0.451 25753
4364 1 18 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.219 -0.114 25753
4365 1 18 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.659 -1.459 25753
4366 1 18 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.495 10.105 25753
4367 1 18 . 1 1 26 26 CYS H H 26 9.280 9.280 8.388 0.892 25753
4368 1 18 . 1 1 27 27 LYS N N 27 119.838 119.838 118.936 0.902 25753
4369 1 18 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.188 -0.084 25753
4370 1 18 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.983 1.317 25753
4371 1 18 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.029 0.172 25753
4372 1 18 . 1 1 27 27 LYS H H 27 7.646 7.646 8.481 -0.835 25753
4373 1 18 . 1 1 28 28 LEU N N 28 119.791 119.791 121.666 -1.875 25753
4374 1 18 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.277 -0.242 25753
4375 1 18 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.501 -0.301 25753
4376 1 18 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.544 -0.552 25753
4377 1 18 . 1 1 28 28 LEU H H 28 8.257 8.257 7.833 0.424 25753
4378 1 18 . 1 1 29 29 ASP N N 29 116.737 116.737 120.058 -3.321 25753
4379 1 18 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.662 -0.186 25753
4380 1 18 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.669 -1.072 25753
4381 1 18 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.391 -1.091 25753
4382 1 18 . 1 1 29 29 ASP H H 29 8.977 8.977 8.659 0.318 25753
4383 1 18 . 1 1 30 30 LYS N N 30 111.907 111.907 116.695 -4.788 25753
4384 1 18 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.261 0.220 25753
4385 1 18 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.263 -3.284 25753
4386 1 18 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.000 -1.516 25753
4387 1 18 . 1 1 30 30 LYS H H 30 6.618 6.618 7.741 -1.123 25753
4388 1 18 . 1 1 31 31 HIS N N 31 112.966 112.966 115.891 -2.925 25753
4389 1 18 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.265 0.277 25753
4390 1 18 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.886 -0.986 25753
4391 1 18 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.161 -2.694 25753
4392 1 18 . 1 1 31 31 HIS H H 31 7.013 7.013 7.875 -0.862 25753
4393 1 18 . 1 1 32 32 ALA N N 32 120.001 120.001 119.356 0.645 25753
4394 1 18 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.667 0.388 25753
4395 1 18 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.527 -1.127 25753
4396 1 18 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.642 -0.742 25753
4397 1 18 . 1 1 32 32 ALA H H 32 7.644 7.644 7.203 0.441 25753
4398 1 18 . 1 1 33 33 ARG N N 33 116.588 116.588 120.271 -3.683 25753
4399 1 18 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.957 0.180 25753
4400 1 18 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.670 -0.772 25753
4401 1 18 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.669 -0.282 25753
4402 1 18 . 1 1 33 33 ARG H H 33 8.254 8.254 8.281 -0.027 25753
4403 1 18 . 1 1 34 34 SER N N 34 109.178 109.178 109.350 -0.172 25753
4404 1 18 . 1 1 34 34 SER HA H 34 4.593 4.593 5.071 -0.478 25753
4405 1 18 . 1 1 34 34 SER CA C 34 57.500 57.500 57.103 0.397 25753
4406 1 18 . 1 1 34 34 SER CB C 34 64.825 64.825 67.037 -2.212 25753
4407 1 18 . 1 1 34 34 SER H H 34 7.989 7.989 7.740 0.249 25753
4408 1 18 . 1 1 35 35 GLY N N 35 107.345 107.345 106.905 0.440 25753
4409 1 18 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.853 0.847 25753
4410 1 18 . 1 1 35 35 GLY H H 35 8.633 8.633 8.407 0.226 25753
4411 1 18 . 1 1 36 36 GLU N N 36 118.288 118.288 121.468 -3.180 25753
4412 1 18 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.801 -0.509 25753
4413 1 18 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.845 0.355 25753
4414 1 18 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.243 -1.579 25753
4415 1 18 . 1 1 36 36 GLU H H 36 8.236 8.236 8.682 -0.446 25753
4416 1 18 . 1 1 37 37 CYS N N 37 120.776 120.776 118.375 2.401 25753
4417 1 18 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.872 1.131 25753
4418 1 18 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.399 -2.199 25753
4419 1 18 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.012 17.688 25753
4420 1 18 . 1 1 37 37 CYS H H 37 8.856 8.856 8.463 0.393 25753
4421 1 18 . 1 1 38 38 PHE N N 38 121.520 121.520 123.158 -1.638 25753
4422 1 18 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.822 -0.135 25753
4423 1 18 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.599 0.901 25753
4424 1 18 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.337 -0.324 25753
4425 1 18 . 1 1 38 38 PHE H H 38 9.082 9.082 9.111 -0.029 25753
4426 1 18 . 1 1 39 39 TYR N N 39 122.581 122.581 123.558 -0.977 25753
4427 1 18 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
4428 1 18 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.238 0.562 25753
4429 1 18 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.107 -0.007 25753
4430 1 18 . 1 1 39 39 TYR H H 39 8.683 8.683 8.478 0.205 25753
4431 1 18 . 1 1 40 40 LYS N N 40 126.022 126.022 125.075 0.947 25753
4432 1 18 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.608 -0.289 25753
4433 1 18 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.761 0.939 25753
4434 1 18 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.411 -1.611 25753
4435 1 18 . 1 1 40 40 LYS H H 40 8.319 8.319 8.413 -0.094 25753
4436 1 18 . 1 1 41 41 GLU N N 41 120.017 120.017 118.804 1.213 25753
4437 1 18 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.101 0.026 25753
4438 1 18 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.121 -1.321 25753
4439 1 18 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.921 -0.858 25753
4440 1 18 . 1 1 41 41 GLU H H 41 8.657 8.657 8.624 0.033 25753
4441 1 18 . 1 1 42 42 LYS N N 42 116.887 116.887 120.056 -3.169 25753
4442 1 18 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.189 -0.397 25753
4443 1 18 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.125 -0.425 25753
4444 1 18 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.544 -1.744 25753
4445 1 18 . 1 1 42 42 LYS H H 42 8.468 8.468 8.440 0.028 25753
4446 1 18 . 1 1 43 43 ARG N N 43 115.559 115.559 115.181 0.378 25753
4447 1 18 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.546 -0.320 25753
4448 1 18 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.885 0.115 25753
4449 1 18 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.856 -2.056 25753
4450 1 18 . 1 1 43 43 ARG H H 43 8.165 8.165 7.931 0.234 25753
4451 1 18 . 1 1 44 44 ASN N N 44 117.868 117.868 119.241 -1.373 25753
4452 1 18 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.625 0.256 25753
4453 1 18 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.098 -1.698 25753
4454 1 18 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.296 -0.096 25753
4455 1 18 . 1 1 44 44 ASN H H 44 7.983 7.983 7.906 0.077 25753
4456 1 18 . 1 1 45 45 LEU N N 45 125.712 125.712 121.444 4.268 25753
4457 1 18 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753
4458 1 18 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.729 1.371 25753
4459 1 18 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.813 -2.746 25753
4460 1 18 . 1 1 45 45 LEU H H 45 8.193 8.193 8.371 -0.178 25753
4461 1 18 . 1 1 46 46 GLN N N 46 120.613 120.613 119.281 1.332 25753
4462 1 18 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.690 -0.025 25753
4463 1 18 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.152 -0.152 25753
4464 1 18 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.989 -1.028 25753
4465 1 18 . 1 1 46 46 GLN H H 46 8.425 8.425 8.814 -0.389 25753
4466 1 18 . 1 1 47 47 CYS N N 47 122.193 122.193 122.186 0.007 25753
4467 1 18 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.984 -0.181 25753
4468 1 18 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.524 -3.824 25753
4469 1 18 . 1 1 47 47 CYS CB C 47 38.000 38.000 26.780 11.220 25753
4470 1 18 . 1 1 47 47 CYS H H 47 9.198 9.198 8.910 0.288 25753
4471 1 18 . 1 1 48 48 ILE N N 48 129.093 129.093 125.267 3.826 25753
4472 1 18 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.436 -0.136 25753
4473 1 18 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.885 0.315 25753
4474 1 18 . 1 1 48 48 ILE CB C 48 38.100 38.100 38.068 0.032 25753
4475 1 18 . 1 1 48 48 ILE H H 48 8.696 8.696 8.168 0.528 25753
4476 1 18 . 1 1 49 49 CYS N N 49 126.279 126.279 125.945 0.334 25753
4477 1 18 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.369 0.898 25753
4478 1 18 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.892 -7.505 25753
4479 1 18 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.940 5.607 25753
4480 1 18 . 1 1 49 49 CYS H H 49 8.555 8.555 9.061 -0.506 25753
4481 1 18 . 1 1 50 50 ASP N N 50 122.491 122.491 118.914 3.577 25753
4482 1 18 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.979 0.484 25753
4483 1 18 . 1 1 50 50 ASP CA C 50 52.100 52.100 54.089 -1.989 25753
4484 1 18 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.509 -1.463 25753
4485 1 18 . 1 1 50 50 ASP H H 50 8.813 8.813 8.613 0.200 25753
4486 1 18 . 1 1 51 51 TYR N N 51 124.921 124.921 122.903 2.018 25753
4487 1 18 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.850 -0.650 25753
4488 1 18 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.304 1.796 25753
4489 1 18 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.545 -0.045 25753
4490 1 18 . 1 1 51 51 TYR H H 51 9.633 9.633 7.902 1.731 25753
4491 1 18 . 1 1 52 52 CYS N N 52 120.435 120.435 113.941 6.494 25753
4492 1 18 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.842 -0.428 25753
4493 1 18 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.806 -3.006 25753
4494 1 18 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.959 14.041 25753
4495 1 18 . 1 1 52 52 CYS H H 52 9.550 9.550 7.781 1.769 25753
4496 1 18 . 1 1 53 53 GLU N N 53 120.972 120.972 119.499 1.473 25753
4497 1 18 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.460 -0.213 25753
4498 1 18 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.641 -0.341 25753
4499 1 18 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.050 0.023 25753
4500 1 18 . 1 1 53 53 GLU H H 53 8.335 8.335 8.455 -0.120 25753
4501 1 19 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.372 -0.102 25753
4502 1 19 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.814 0.397 25753
4503 1 19 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.156 -0.834 25753
4504 1 19 . 1 1 3 3 LYS H H 3 8.214 8.214 8.233 -0.019 25753
4505 1 19 . 1 1 4 4 CYS N N 4 116.570 116.570 117.955 -1.385 25753
4506 1 19 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.311 0.383 25753
4507 1 19 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.239 -3.467 25753
4508 1 19 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.299 15.301 25753
4509 1 19 . 1 1 4 4 CYS H H 4 8.430 8.430 8.532 -0.102 25753
4510 1 19 . 1 1 5 5 LYS N N 5 118.500 118.500 118.718 -0.218 25753
4511 1 19 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.477 1.025 25753
4512 1 19 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.169 -1.603 25753
4513 1 19 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.562 0.738 25753
4514 1 19 . 1 1 5 5 LYS H H 5 7.965 7.965 7.811 0.154 25753
4515 1 19 . 1 1 6 6 LYS N N 6 121.002 121.002 121.665 -0.663 25753
4516 1 19 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.550 0.163 25753
4517 1 19 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.221 -0.222 25753
4518 1 19 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.526 1.048 25753
4519 1 19 . 1 1 6 6 LYS H H 6 8.980 8.980 7.973 1.007 25753
4520 1 19 . 1 1 7 7 VAL N N 7 127.157 127.157 124.284 2.873 25753
4521 1 19 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.860 0.053 25753
4522 1 19 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.902 0.498 25753
4523 1 19 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.859 -0.195 25753
4524 1 19 . 1 1 7 7 VAL H H 7 8.756 8.756 8.531 0.225 25753
4525 1 19 . 1 1 8 8 TYR N N 8 129.707 129.707 129.459 0.248 25753
4526 1 19 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.324 0.059 25753
4527 1 19 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.940 -3.790 25753
4528 1 19 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.813 -4.192 25753
4529 1 19 . 1 1 8 8 TYR H H 8 9.160 9.160 8.202 0.958 25753
4530 1 19 . 1 1 9 9 GLU N N 9 130.601 130.601 123.207 7.394 25753
4531 1 19 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.057 0.063 25753
4532 1 19 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.902 -1.004 25753
4533 1 19 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.032 -1.019 25753
4534 1 19 . 1 1 9 9 GLU H H 9 8.964 8.964 8.788 0.176 25753
4535 1 19 . 1 1 10 10 ASN N N 10 115.766 115.766 114.453 1.313 25753
4536 1 19 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.823 -0.458 25753
4537 1 19 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.315 0.885 25753
4538 1 19 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.821 -1.861 25753
4539 1 19 . 1 1 10 10 ASN H H 10 9.232 9.232 8.171 1.061 25753
4540 1 19 . 1 1 11 11 TYR N N 11 122.267 122.267 123.637 -1.370 25753
4541 1 19 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.661 -0.526 25753
4542 1 19 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.140 1.807 25753
4543 1 19 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.443 -1.338 25753
4544 1 19 . 1 1 11 11 TYR H H 11 7.473 7.473 8.740 -1.267 25753
4545 1 19 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.552 -0.120 25753
4546 1 19 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.644 -0.797 25753
4547 1 19 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.443 -2.193 25753
4548 1 19 . 1 1 13 13 VAL N N 13 123.595 123.595 124.749 -1.154 25753
4549 1 19 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.704 0.050 25753
4550 1 19 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.846 0.654 25753
4551 1 19 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.739 -0.628 25753
4552 1 19 . 1 1 13 13 VAL H H 13 8.102 8.102 8.524 -0.422 25753
4553 1 19 . 1 1 14 14 SER N N 14 116.945 116.945 113.477 3.468 25753
4554 1 19 . 1 1 14 14 SER HA H 14 4.119 4.119 4.191 -0.072 25753
4555 1 19 . 1 1 14 14 SER CA C 14 61.050 61.050 61.034 0.016 25753
4556 1 19 . 1 1 14 14 SER CB C 14 61.239 61.239 62.926 -1.688 25753
4557 1 19 . 1 1 14 14 SER H H 14 8.387 8.387 8.420 -0.033 25753
4558 1 19 . 1 1 15 15 LYS N N 15 121.073 121.073 120.049 1.024 25753
4559 1 19 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.202 -0.133 25753
4560 1 19 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.741 0.559 25753
4561 1 19 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.636 -1.401 25753
4562 1 19 . 1 1 15 15 LYS H H 15 7.821 7.821 7.578 0.243 25753
4563 1 19 . 1 1 16 16 CYS N N 16 115.469 115.469 119.524 -4.055 25753
4564 1 19 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.313 0.423 25753
4565 1 19 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.386 -3.586 25753
4566 1 19 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.863 14.391 25753
4567 1 19 . 1 1 16 16 CYS H H 16 7.844 7.844 7.620 0.224 25753
4568 1 19 . 1 1 17 17 GLN N N 17 115.128 115.128 117.125 -1.997 25753
4569 1 19 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.038 0.175 25753
4570 1 19 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.851 -1.751 25753
4571 1 19 . 1 1 17 17 GLN CB C 17 28.600 28.600 29.017 -0.417 25753
4572 1 19 . 1 1 17 17 GLN H H 17 7.381 7.381 7.689 -0.308 25753
4573 1 19 . 1 1 18 18 LEU N N 18 120.972 120.972 119.740 1.232 25753
4574 1 19 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.609 -0.103 25753
4575 1 19 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.076 0.224 25753
4576 1 19 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.240 -0.146 25753
4577 1 19 . 1 1 18 18 LEU H H 18 7.286 7.286 7.659 -0.373 25753
4578 1 19 . 1 1 19 19 ALA N N 19 127.694 127.694 129.598 -1.904 25753
4579 1 19 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.955 0.160 25753
4580 1 19 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.511 -1.911 25753
4581 1 19 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.377 -0.477 25753
4582 1 19 . 1 1 19 19 ALA H H 19 8.556 8.556 8.974 -0.418 25753
4583 1 19 . 1 1 20 20 ASN N N 20 116.006 116.006 114.274 1.732 25753
4584 1 19 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.515 0.113 25753
4585 1 19 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.850 -1.151 25753
4586 1 19 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.735 1.258 25753
4587 1 19 . 1 1 20 20 ASN H H 20 9.044 9.044 8.746 0.298 25753
4588 1 19 . 1 1 21 21 GLN N N 21 122.731 122.731 120.598 2.133 25753
4589 1 19 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.445 -0.614 25753
4590 1 19 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.602 0.598 25753
4591 1 19 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.337 -0.247 25753
4592 1 19 . 1 1 21 21 GLN H H 21 7.662 7.662 8.002 -0.340 25753
4593 1 19 . 1 1 22 22 CYS N N 22 118.925 118.925 120.425 -1.500 25753
4594 1 19 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.084 0.179 25753
4595 1 19 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.825 -5.724 25753
4596 1 19 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.536 11.964 25753
4597 1 19 . 1 1 22 22 CYS H H 22 8.475 8.475 8.118 0.357 25753
4598 1 19 . 1 1 23 23 ASN N N 23 118.714 118.714 117.872 0.842 25753
4599 1 19 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.449 -0.643 25753
4600 1 19 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.347 0.053 25753
4601 1 19 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.364 0.667 25753
4602 1 19 . 1 1 23 23 ASN H H 23 7.972 7.972 8.215 -0.243 25753
4603 1 19 . 1 1 24 24 TYR N N 24 117.828 117.828 119.749 -1.921 25753
4604 1 19 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.141 -0.227 25753
4605 1 19 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.413 -0.213 25753
4606 1 19 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.274 -0.191 25753
4607 1 19 . 1 1 24 24 TYR H H 24 8.107 8.107 7.671 0.436 25753
4608 1 19 . 1 1 25 25 ASP N N 25 119.620 119.620 117.680 1.940 25753
4609 1 19 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.238 0.391 25753
4610 1 19 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.944 0.456 25753
4611 1 19 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.267 -0.967 25753
4612 1 19 . 1 1 25 25 ASP H H 25 9.064 9.064 8.580 0.484 25753
4613 1 19 . 1 1 26 26 CYS N N 26 120.031 120.031 119.665 0.366 25753
4614 1 19 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.213 -0.108 25753
4615 1 19 . 1 1 26 26 CYS CA C 26 60.200 60.200 62.292 -2.092 25753
4616 1 19 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.731 9.869 25753
4617 1 19 . 1 1 26 26 CYS H H 26 9.280 9.280 8.507 0.773 25753
4618 1 19 . 1 1 27 27 LYS N N 27 119.838 119.838 118.578 1.260 25753
4619 1 19 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.515 -0.411 25753
4620 1 19 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.181 1.119 25753
4621 1 19 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.285 -0.085 25753
4622 1 19 . 1 1 27 27 LYS H H 27 7.646 7.646 8.373 -0.728 25753
4623 1 19 . 1 1 28 28 LEU N N 28 119.791 119.791 120.621 -0.830 25753
4624 1 19 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.134 -0.099 25753
4625 1 19 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.397 -0.197 25753
4626 1 19 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.847 -0.855 25753
4627 1 19 . 1 1 28 28 LEU H H 28 8.257 8.257 7.345 0.912 25753
4628 1 19 . 1 1 29 29 ASP N N 29 116.737 116.737 118.971 -2.234 25753
4629 1 19 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.502 -0.026 25753
4630 1 19 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.585 -0.988 25753
4631 1 19 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.004 -0.704 25753
4632 1 19 . 1 1 29 29 ASP H H 29 8.977 8.977 8.446 0.531 25753
4633 1 19 . 1 1 30 30 LYS N N 30 111.907 111.907 116.128 -4.221 25753
4634 1 19 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.284 0.197 25753
4635 1 19 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.884 -2.905 25753
4636 1 19 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.966 -1.482 25753
4637 1 19 . 1 1 30 30 LYS H H 30 6.618 6.618 7.642 -1.024 25753
4638 1 19 . 1 1 31 31 HIS N N 31 112.966 112.966 115.178 -2.212 25753
4639 1 19 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.300 0.242 25753
4640 1 19 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.238 -0.338 25753
4641 1 19 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.395 -2.928 25753
4642 1 19 . 1 1 31 31 HIS H H 31 7.013 7.013 7.524 -0.511 25753
4643 1 19 . 1 1 32 32 ALA N N 32 120.001 120.001 119.966 0.035 25753
4644 1 19 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.864 0.191 25753
4645 1 19 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.657 -1.257 25753
4646 1 19 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.683 -0.783 25753
4647 1 19 . 1 1 32 32 ALA H H 32 7.644 7.644 7.608 0.036 25753
4648 1 19 . 1 1 33 33 ARG N N 33 116.588 116.588 121.359 -4.771 25753
4649 1 19 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.975 0.162 25753
4650 1 19 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.941 -1.043 25753
4651 1 19 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.466 -0.079 25753
4652 1 19 . 1 1 33 33 ARG H H 33 8.254 8.254 8.249 0.004 25753
4653 1 19 . 1 1 34 34 SER N N 34 109.178 109.178 108.382 0.796 25753
4654 1 19 . 1 1 34 34 SER HA H 34 4.593 4.593 4.588 0.005 25753
4655 1 19 . 1 1 34 34 SER CA C 34 57.500 57.500 57.609 -0.109 25753
4656 1 19 . 1 1 34 34 SER CB C 34 64.825 64.825 66.043 -1.218 25753
4657 1 19 . 1 1 34 34 SER H H 34 7.989 7.989 7.649 0.340 25753
4658 1 19 . 1 1 35 35 GLY N N 35 107.345 107.345 107.516 -0.171 25753
4659 1 19 . 1 1 35 35 GLY CA C 35 46.700 46.700 46.000 0.700 25753
4660 1 19 . 1 1 35 35 GLY H H 35 8.633 8.633 8.745 -0.112 25753
4661 1 19 . 1 1 36 36 GLU N N 36 118.288 118.288 122.164 -3.876 25753
4662 1 19 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.799 -0.507 25753
4663 1 19 . 1 1 36 36 GLU CA C 36 55.200 55.200 55.591 -0.391 25753
4664 1 19 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.835 -1.171 25753
4665 1 19 . 1 1 36 36 GLU H H 36 8.236 8.236 8.214 0.022 25753
4666 1 19 . 1 1 37 37 CYS N N 37 120.776 120.776 118.781 1.995 25753
4667 1 19 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.931 1.072 25753
4668 1 19 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.335 -2.135 25753
4669 1 19 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.192 17.508 25753
4670 1 19 . 1 1 37 37 CYS H H 37 8.856 8.856 8.630 0.226 25753
4671 1 19 . 1 1 38 38 PHE N N 38 121.520 121.520 122.244 -0.724 25753
4672 1 19 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.845 -0.158 25753
4673 1 19 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.731 0.769 25753
4674 1 19 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.325 0.688 25753
4675 1 19 . 1 1 38 38 PHE H H 38 9.082 9.082 9.019 0.063 25753
4676 1 19 . 1 1 39 39 TYR N N 39 122.581 122.581 122.004 0.577 25753
4677 1 19 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.727 -0.115 25753
4678 1 19 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.224 0.576 25753
4679 1 19 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.839 0.261 25753
4680 1 19 . 1 1 39 39 TYR H H 39 8.683 8.683 8.659 0.024 25753
4681 1 19 . 1 1 40 40 LYS N N 40 126.022 126.022 124.463 1.559 25753
4682 1 19 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.496 -0.177 25753
4683 1 19 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.827 -0.127 25753
4684 1 19 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.295 -1.496 25753
4685 1 19 . 1 1 40 40 LYS H H 40 8.319 8.319 8.555 -0.236 25753
4686 1 19 . 1 1 41 41 GLU N N 41 120.017 120.017 118.786 1.231 25753
4687 1 19 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.113 0.014 25753
4688 1 19 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.747 -0.947 25753
4689 1 19 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.169 -0.106 25753
4690 1 19 . 1 1 41 41 GLU H H 41 8.657 8.657 8.570 0.087 25753
4691 1 19 . 1 1 42 42 LYS N N 42 116.887 116.887 121.238 -4.351 25753
4692 1 19 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.195 -0.403 25753
4693 1 19 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.120 -0.420 25753
4694 1 19 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.579 -1.779 25753
4695 1 19 . 1 1 42 42 LYS H H 42 8.468 8.468 8.303 0.165 25753
4696 1 19 . 1 1 43 43 ARG N N 43 115.559 115.559 116.522 -0.963 25753
4697 1 19 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.407 -0.181 25753
4698 1 19 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.964 0.036 25753
4699 1 19 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.989 -1.189 25753
4700 1 19 . 1 1 43 43 ARG H H 43 8.165 8.165 8.005 0.160 25753
4701 1 19 . 1 1 44 44 ASN N N 44 117.868 117.868 118.516 -0.648 25753
4702 1 19 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.626 0.255 25753
4703 1 19 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.182 -1.782 25753
4704 1 19 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.288 -0.088 25753
4705 1 19 . 1 1 44 44 ASN H H 44 7.983 7.983 7.990 -0.007 25753
4706 1 19 . 1 1 45 45 LEU N N 45 125.712 125.712 120.304 5.408 25753
4707 1 19 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.549 -0.243 25753
4708 1 19 . 1 1 45 45 LEU CA C 45 55.100 55.100 54.057 1.042 25753
4709 1 19 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.431 -2.364 25753
4710 1 19 . 1 1 45 45 LEU H H 45 8.193 8.193 8.118 0.075 25753
4711 1 19 . 1 1 46 46 GLN N N 46 120.613 120.613 119.125 1.488 25753
4712 1 19 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.685 -0.020 25753
4713 1 19 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.476 0.524 25753
4714 1 19 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.870 -0.909 25753
4715 1 19 . 1 1 46 46 GLN H H 46 8.425 8.425 8.919 -0.494 25753
4716 1 19 . 1 1 47 47 CYS N N 47 122.193 122.193 120.456 1.737 25753
4717 1 19 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.929 -0.126 25753
4718 1 19 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.691 -3.990 25753
4719 1 19 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.631 9.369 25753
4720 1 19 . 1 1 47 47 CYS H H 47 9.198 9.198 8.895 0.303 25753
4721 1 19 . 1 1 48 48 ILE N N 48 129.093 129.093 124.718 4.375 25753
4722 1 19 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.701 -0.401 25753
4723 1 19 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.460 0.740 25753
4724 1 19 . 1 1 48 48 ILE CB C 48 38.100 38.100 41.193 -3.092 25753
4725 1 19 . 1 1 48 48 ILE H H 48 8.696 8.696 8.931 -0.235 25753
4726 1 19 . 1 1 49 49 CYS N N 49 126.279 126.279 124.037 2.242 25753
4727 1 19 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.479 0.788 25753
4728 1 19 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.818 -7.431 25753
4729 1 19 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.283 6.264 25753
4730 1 19 . 1 1 49 49 CYS H H 49 8.555 8.555 8.917 -0.362 25753
4731 1 19 . 1 1 50 50 ASP N N 50 122.491 122.491 119.279 3.212 25753
4732 1 19 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.920 0.543 25753
4733 1 19 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.905 -1.805 25753
4734 1 19 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.045 -0.999 25753
4735 1 19 . 1 1 50 50 ASP H H 50 8.813 8.813 8.377 0.436 25753
4736 1 19 . 1 1 51 51 TYR N N 51 124.921 124.921 121.795 3.126 25753
4737 1 19 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.765 -0.565 25753
4738 1 19 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.667 1.433 25753
4739 1 19 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.164 -0.664 25753
4740 1 19 . 1 1 51 51 TYR H H 51 9.633 9.633 8.032 1.601 25753
4741 1 19 . 1 1 52 52 CYS N N 52 120.435 120.435 116.877 3.558 25753
4742 1 19 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.716 -0.302 25753
4743 1 19 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.790 -2.990 25753
4744 1 19 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.930 13.070 25753
4745 1 19 . 1 1 52 52 CYS H H 52 9.550 9.550 8.086 1.464 25753
4746 1 19 . 1 1 53 53 GLU N N 53 120.972 120.972 118.805 2.167 25753
4747 1 19 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.356 -0.109 25753
4748 1 19 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.409 -0.109 25753
4749 1 19 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.535 0.538 25753
4750 1 19 . 1 1 53 53 GLU H H 53 8.335 8.335 8.252 0.083 25753
4751 1 20 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.357 -0.087 25753
4752 1 20 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.285 -0.074 25753
4753 1 20 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.511 -1.189 25753
4754 1 20 . 1 1 3 3 LYS H H 3 8.214 8.214 8.609 -0.395 25753
4755 1 20 . 1 1 4 4 CYS N N 4 116.570 116.570 113.724 2.846 25753
4756 1 20 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.587 0.107 25753
4757 1 20 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.255 -3.483 25753
4758 1 20 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.850 13.750 25753
4759 1 20 . 1 1 4 4 CYS H H 4 8.430 8.430 8.192 0.238 25753
4760 1 20 . 1 1 5 5 LYS N N 5 118.500 118.500 122.585 -4.085 25753
4761 1 20 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.505 0.997 25753
4762 1 20 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.366 -1.800 25753
4763 1 20 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.485 0.815 25753
4764 1 20 . 1 1 5 5 LYS H H 5 7.965 7.965 8.068 -0.103 25753
4765 1 20 . 1 1 6 6 LYS N N 6 121.002 121.002 122.860 -1.858 25753
4766 1 20 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.564 0.149 25753
4767 1 20 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.945 1.055 25753
4768 1 20 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.133 0.440 25753
4769 1 20 . 1 1 6 6 LYS H H 6 8.980 8.980 7.757 1.223 25753
4770 1 20 . 1 1 7 7 VAL N N 7 127.157 127.157 124.781 2.376 25753
4771 1 20 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.867 0.046 25753
4772 1 20 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.800 0.600 25753
4773 1 20 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.795 -0.131 25753
4774 1 20 . 1 1 7 7 VAL H H 7 8.756 8.756 8.523 0.233 25753
4775 1 20 . 1 1 8 8 TYR N N 8 129.707 129.707 129.309 0.398 25753
4776 1 20 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.352 0.031 25753
4777 1 20 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.790 -3.640 25753
4778 1 20 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.889 -4.268 25753
4779 1 20 . 1 1 8 8 TYR H H 8 9.160 9.160 8.176 0.984 25753
4780 1 20 . 1 1 9 9 GLU N N 9 130.601 130.601 122.871 7.730 25753
4781 1 20 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.064 0.056 25753
4782 1 20 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.706 -0.808 25753
4783 1 20 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.064 -1.051 25753
4784 1 20 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753
4785 1 20 . 1 1 10 10 ASN N N 10 115.766 115.766 113.048 2.718 25753
4786 1 20 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.801 -0.436 25753
4787 1 20 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.415 0.785 25753
4788 1 20 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.542 -1.582 25753
4789 1 20 . 1 1 10 10 ASN H H 10 9.232 9.232 8.215 1.017 25753
4790 1 20 . 1 1 11 11 TYR N N 11 122.267 122.267 121.938 0.329 25753
4791 1 20 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.770 -0.635 25753
4792 1 20 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.824 2.123 25753
4793 1 20 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.727 -0.622 25753
4794 1 20 . 1 1 11 11 TYR H H 11 7.473 7.473 8.281 -0.808 25753
4795 1 20 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.547 -0.115 25753
4796 1 20 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.812 -0.965 25753
4797 1 20 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.561 -2.311 25753
4798 1 20 . 1 1 13 13 VAL N N 13 123.595 123.595 125.521 -1.926 25753
4799 1 20 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.705 0.049 25753
4800 1 20 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.589 0.911 25753
4801 1 20 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.798 -0.687 25753
4802 1 20 . 1 1 13 13 VAL H H 13 8.102 8.102 8.533 -0.431 25753
4803 1 20 . 1 1 14 14 SER N N 14 116.945 116.945 115.034 1.911 25753
4804 1 20 . 1 1 14 14 SER HA H 14 4.119 4.119 4.256 -0.137 25753
4805 1 20 . 1 1 14 14 SER CA C 14 61.050 61.050 61.259 -0.209 25753
4806 1 20 . 1 1 14 14 SER CB C 14 61.239 61.239 62.824 -1.585 25753
4807 1 20 . 1 1 14 14 SER H H 14 8.387 8.387 8.149 0.238 25753
4808 1 20 . 1 1 15 15 LYS N N 15 121.073 121.073 121.736 -0.663 25753
4809 1 20 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.143 -0.074 25753
4810 1 20 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.727 0.573 25753
4811 1 20 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.169 -0.933 25753
4812 1 20 . 1 1 15 15 LYS H H 15 7.821 7.821 8.345 -0.524 25753
4813 1 20 . 1 1 16 16 CYS N N 16 115.469 115.469 118.654 -3.185 25753
4814 1 20 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.313 0.423 25753
4815 1 20 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.846 -3.046 25753
4816 1 20 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.944 14.310 25753
4817 1 20 . 1 1 16 16 CYS H H 16 7.844 7.844 7.635 0.209 25753
4818 1 20 . 1 1 17 17 GLN N N 17 115.128 115.128 117.174 -2.046 25753
4819 1 20 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.030 0.183 25753
4820 1 20 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.487 -1.387 25753
4821 1 20 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.961 -0.361 25753
4822 1 20 . 1 1 17 17 GLN H H 17 7.381 7.381 7.497 -0.116 25753
4823 1 20 . 1 1 18 18 LEU N N 18 120.972 120.972 119.427 1.545 25753
4824 1 20 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.551 -0.045 25753
4825 1 20 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.358 -0.058 25753
4826 1 20 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.618 -0.524 25753
4827 1 20 . 1 1 18 18 LEU H H 18 7.286 7.286 7.596 -0.310 25753
4828 1 20 . 1 1 19 19 ALA N N 19 127.694 127.694 128.498 -0.804 25753
4829 1 20 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.051 0.064 25753
4830 1 20 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.706 -2.106 25753
4831 1 20 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.532 -0.632 25753
4832 1 20 . 1 1 19 19 ALA H H 19 8.556 8.556 8.960 -0.404 25753
4833 1 20 . 1 1 20 20 ASN N N 20 116.006 116.006 114.752 1.254 25753
4834 1 20 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.455 0.173 25753
4835 1 20 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.814 -1.114 25753
4836 1 20 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.481 1.512 25753
4837 1 20 . 1 1 20 20 ASN H H 20 9.044 9.044 8.764 0.280 25753
4838 1 20 . 1 1 21 21 GLN N N 21 122.731 122.731 120.437 2.294 25753
4839 1 20 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.239 -0.408 25753
4840 1 20 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.227 -0.027 25753
4841 1 20 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.603 0.487 25753
4842 1 20 . 1 1 21 21 GLN H H 21 7.662 7.662 7.408 0.254 25753
4843 1 20 . 1 1 22 22 CYS N N 22 118.925 118.925 119.903 -0.978 25753
4844 1 20 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.148 0.115 25753
4845 1 20 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.644 -5.544 25753
4846 1 20 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.372 12.128 25753
4847 1 20 . 1 1 22 22 CYS H H 22 8.475 8.475 7.857 0.618 25753
4848 1 20 . 1 1 23 23 ASN N N 23 118.714 118.714 118.185 0.529 25753
4849 1 20 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.470 -0.664 25753
4850 1 20 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.016 0.384 25753
4851 1 20 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.563 0.468 25753
4852 1 20 . 1 1 23 23 ASN H H 23 7.972 7.972 8.237 -0.265 25753
4853 1 20 . 1 1 24 24 TYR N N 24 117.828 117.828 120.176 -2.348 25753
4854 1 20 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.116 -0.202 25753
4855 1 20 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.436 -0.236 25753
4856 1 20 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.403 -0.320 25753
4857 1 20 . 1 1 24 24 TYR H H 24 8.107 8.107 7.886 0.221 25753
4858 1 20 . 1 1 25 25 ASP N N 25 119.620 119.620 117.148 2.472 25753
4859 1 20 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.305 0.324 25753
4860 1 20 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.807 0.593 25753
4861 1 20 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.950 -1.650 25753
4862 1 20 . 1 1 25 25 ASP H H 25 9.064 9.064 8.382 0.682 25753
4863 1 20 . 1 1 26 26 CYS N N 26 120.031 120.031 120.474 -0.443 25753
4864 1 20 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.242 -0.137 25753
4865 1 20 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.683 -1.483 25753
4866 1 20 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.478 10.122 25753
4867 1 20 . 1 1 26 26 CYS H H 26 9.280 9.280 8.393 0.887 25753
4868 1 20 . 1 1 27 27 LYS N N 27 119.838 119.838 119.074 0.764 25753
4869 1 20 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.202 -0.098 25753
4870 1 20 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.927 1.373 25753
4871 1 20 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.885 0.315 25753
4872 1 20 . 1 1 27 27 LYS H H 27 7.646 7.646 8.454 -0.808 25753
4873 1 20 . 1 1 28 28 LEU N N 28 119.791 119.791 121.338 -1.547 25753
4874 1 20 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.270 -0.235 25753
4875 1 20 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.667 -0.467 25753
4876 1 20 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.640 -0.648 25753
4877 1 20 . 1 1 28 28 LEU H H 28 8.257 8.257 7.856 0.401 25753
4878 1 20 . 1 1 29 29 ASP N N 29 116.737 116.737 119.451 -2.714 25753
4879 1 20 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.659 -0.183 25753
4880 1 20 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.351 -0.754 25753
4881 1 20 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.558 -1.258 25753
4882 1 20 . 1 1 29 29 ASP H H 29 8.977 8.977 8.545 0.432 25753
4883 1 20 . 1 1 30 30 LYS N N 30 111.907 111.907 116.691 -4.784 25753
4884 1 20 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.321 0.160 25753
4885 1 20 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.400 -3.421 25753
4886 1 20 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.173 -1.689 25753
4887 1 20 . 1 1 30 30 LYS H H 30 6.618 6.618 7.827 -1.209 25753
4888 1 20 . 1 1 31 31 HIS N N 31 112.966 112.966 116.228 -3.262 25753
4889 1 20 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.294 0.248 25753
4890 1 20 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.863 -0.963 25753
4891 1 20 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.367 -2.901 25753
4892 1 20 . 1 1 31 31 HIS H H 31 7.013 7.013 7.912 -0.899 25753
4893 1 20 . 1 1 32 32 ALA N N 32 120.001 120.001 119.776 0.225 25753
4894 1 20 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.970 0.085 25753
4895 1 20 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.615 -1.215 25753
4896 1 20 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.649 -0.750 25753
4897 1 20 . 1 1 32 32 ALA H H 32 7.644 7.644 7.241 0.403 25753
4898 1 20 . 1 1 33 33 ARG N N 33 116.588 116.588 120.504 -3.916 25753
4899 1 20 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.990 0.147 25753
4900 1 20 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.091 -1.193 25753
4901 1 20 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.679 -0.292 25753
4902 1 20 . 1 1 33 33 ARG H H 33 8.254 8.254 8.390 -0.136 25753
4903 1 20 . 1 1 34 34 SER N N 34 109.178 109.178 108.767 0.411 25753
4904 1 20 . 1 1 34 34 SER HA H 34 4.593 4.593 5.003 -0.410 25753
4905 1 20 . 1 1 34 34 SER CA C 34 57.500 57.500 57.010 0.490 25753
4906 1 20 . 1 1 34 34 SER CB C 34 64.825 64.825 67.154 -2.329 25753
4907 1 20 . 1 1 34 34 SER H H 34 7.989 7.989 7.635 0.354 25753
4908 1 20 . 1 1 35 35 GLY N N 35 107.345 107.345 106.869 0.476 25753
4909 1 20 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.986 0.714 25753
4910 1 20 . 1 1 35 35 GLY H H 35 8.633 8.633 8.567 0.066 25753
4911 1 20 . 1 1 36 36 GLU N N 36 118.288 118.288 121.987 -3.699 25753
4912 1 20 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.912 -0.620 25753
4913 1 20 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.892 1.308 25753
4914 1 20 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.606 -1.942 25753
4915 1 20 . 1 1 36 36 GLU H H 36 8.236 8.236 8.552 -0.316 25753
4916 1 20 . 1 1 37 37 CYS N N 37 120.776 120.776 118.990 1.786 25753
4917 1 20 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.163 0.840 25753
4918 1 20 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.670 -2.470 25753
4919 1 20 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.539 17.161 25753
4920 1 20 . 1 1 37 37 CYS H H 37 8.856 8.856 8.678 0.178 25753
4921 1 20 . 1 1 38 38 PHE N N 38 121.520 121.520 122.109 -0.589 25753
4922 1 20 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753
4923 1 20 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.664 0.836 25753
4924 1 20 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.386 0.627 25753
4925 1 20 . 1 1 38 38 PHE H H 38 9.082 9.082 9.207 -0.125 25753
4926 1 20 . 1 1 39 39 TYR N N 39 122.581 122.581 122.125 0.456 25753
4927 1 20 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753
4928 1 20 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.271 0.529 25753
4929 1 20 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.911 0.189 25753
4930 1 20 . 1 1 39 39 TYR H H 39 8.683 8.683 8.604 0.079 25753
4931 1 20 . 1 1 40 40 LYS N N 40 126.022 126.022 125.112 0.910 25753
4932 1 20 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753
4933 1 20 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.882 0.818 25753
4934 1 20 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.271 -1.471 25753
4935 1 20 . 1 1 40 40 LYS H H 40 8.319 8.319 8.450 -0.131 25753
4936 1 20 . 1 1 41 41 GLU N N 41 120.017 120.017 118.933 1.084 25753
4937 1 20 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.102 0.025 25753
4938 1 20 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.291 -1.491 25753
4939 1 20 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.898 -0.835 25753
4940 1 20 . 1 1 41 41 GLU H H 41 8.657 8.657 8.626 0.031 25753
4941 1 20 . 1 1 42 42 LYS N N 42 116.887 116.887 120.167 -3.280 25753
4942 1 20 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.204 -0.412 25753
4943 1 20 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.241 -0.541 25753
4944 1 20 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.450 -1.650 25753
4945 1 20 . 1 1 42 42 LYS H H 42 8.468 8.468 8.488 -0.020 25753
4946 1 20 . 1 1 43 43 ARG N N 43 115.559 115.559 116.155 -0.596 25753
4947 1 20 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.501 -0.275 25753
4948 1 20 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.908 0.091 25753
4949 1 20 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.248 -1.448 25753
4950 1 20 . 1 1 43 43 ARG H H 43 8.165 8.165 8.008 0.157 25753
4951 1 20 . 1 1 44 44 ASN N N 44 117.868 117.868 118.742 -0.874 25753
4952 1 20 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.598 0.283 25753
4953 1 20 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.042 -1.642 25753
4954 1 20 . 1 1 44 44 ASN CB C 44 39.200 39.200 38.963 0.237 25753
4955 1 20 . 1 1 44 44 ASN H H 44 7.983 7.983 7.872 0.111 25753
4956 1 20 . 1 1 45 45 LEU N N 45 125.712 125.712 121.260 4.452 25753
4957 1 20 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.582 -0.276 25753
4958 1 20 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.727 1.373 25753
4959 1 20 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.540 -2.473 25753
4960 1 20 . 1 1 45 45 LEU H H 45 8.193 8.193 8.298 -0.105 25753
4961 1 20 . 1 1 46 46 GLN N N 46 120.613 120.613 119.502 1.111 25753
4962 1 20 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753
4963 1 20 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.219 -0.219 25753
4964 1 20 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.107 -1.146 25753
4965 1 20 . 1 1 46 46 GLN H H 46 8.425 8.425 8.535 -0.110 25753
4966 1 20 . 1 1 47 47 CYS N N 47 122.193 122.193 120.974 1.219 25753
4967 1 20 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.861 -0.058 25753
4968 1 20 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.610 -3.910 25753
4969 1 20 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.031 9.969 25753
4970 1 20 . 1 1 47 47 CYS H H 47 9.198 9.198 8.943 0.255 25753
4971 1 20 . 1 1 48 48 ILE N N 48 129.093 129.093 125.601 3.492 25753
4972 1 20 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.726 -0.426 25753
4973 1 20 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.633 0.567 25753
4974 1 20 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.756 -2.656 25753
4975 1 20 . 1 1 48 48 ILE H H 48 8.696 8.696 9.116 -0.420 25753
4976 1 20 . 1 1 49 49 CYS N N 49 126.279 126.279 123.876 2.403 25753
4977 1 20 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.518 0.749 25753
4978 1 20 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.742 -7.355 25753
4979 1 20 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.624 5.923 25753
4980 1 20 . 1 1 49 49 CYS H H 49 8.555 8.555 8.974 -0.419 25753
4981 1 20 . 1 1 50 50 ASP N N 50 122.491 122.491 118.774 3.717 25753
4982 1 20 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.913 0.550 25753
4983 1 20 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.895 -1.795 25753
4984 1 20 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.682 -1.636 25753
4985 1 20 . 1 1 50 50 ASP H H 50 8.813 8.813 8.479 0.334 25753
4986 1 20 . 1 1 51 51 TYR N N 51 124.921 124.921 123.393 1.528 25753
4987 1 20 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.640 -0.440 25753
4988 1 20 . 1 1 51 51 TYR CA C 51 59.100 59.100 58.124 0.976 25753
4989 1 20 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.447 0.053 25753
4990 1 20 . 1 1 51 51 TYR H H 51 9.633 9.633 7.960 1.673 25753
4991 1 20 . 1 1 52 52 CYS N N 52 120.435 120.435 115.759 4.676 25753
4992 1 20 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.763 -0.349 25753
4993 1 20 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.536 -2.736 25753
4994 1 20 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.294 14.706 25753
4995 1 20 . 1 1 52 52 CYS H H 52 9.550 9.550 8.629 0.921 25753
4996 1 20 . 1 1 53 53 GLU N N 53 120.972 120.972 118.837 2.135 25753
4997 1 20 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.465 -0.218 25753
4998 1 20 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.339 -0.039 25753
4999 1 20 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.950 0.123 25753
5000 1 20 . 1 1 53 53 GLU H H 53 8.335 8.335 8.223 0.112 25753
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 49 2.465 -0.168 2.485 25753
2 1 1 "Average Difference" HA 52 0.365 0.021 0.368 25753
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25753
4 1 1 "Average Difference" CA 51 2.007 0.749 1.880 25753
5 1 1 "Average Difference" CB 50 5.148 -1.182 5.061 25753
6 1 1 "Average Difference" HN 50 0.570 -0.070 0.571 25753
7 1 2 "Average Difference" N 49 2.450 -0.133 2.471 25753
8 1 2 "Average Difference" HA 52 0.369 0.032 0.372 25753
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25753
10 1 2 "Average Difference" CA 51 2.025 0.785 1.885 25753
11 1 2 "Average Difference" CB 50 5.230 -1.235 5.134 25753
12 1 2 "Average Difference" HN 50 0.546 -0.079 0.546 25753
13 1 3 "Average Difference" N 49 2.420 -0.129 2.442 25753
14 1 3 "Average Difference" HA 52 0.362 0.024 0.365 25753
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25753
16 1 3 "Average Difference" CA 51 1.999 0.807 1.847 25753
17 1 3 "Average Difference" CB 50 5.231 -1.255 5.130 25753
18 1 3 "Average Difference" HN 50 0.514 -0.052 0.516 25753
19 1 4 "Average Difference" N 49 2.417 -0.274 2.427 25753
20 1 4 "Average Difference" HA 52 0.359 0.017 0.362 25753
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25753
22 1 4 "Average Difference" CA 51 2.008 0.829 1.847 25753
23 1 4 "Average Difference" CB 50 5.202 -1.219 5.108 25753
24 1 4 "Average Difference" HN 50 0.492 -0.058 0.494 25753
25 1 5 "Average Difference" N 49 2.566 -0.186 2.585 25753
26 1 5 "Average Difference" HA 52 0.355 0.024 0.358 25753
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25753
28 1 5 "Average Difference" CA 51 2.029 0.825 1.872 25753
29 1 5 "Average Difference" CB 50 5.215 -1.242 5.116 25753
30 1 5 "Average Difference" HN 50 0.528 -0.071 0.529 25753
31 1 6 "Average Difference" N 49 2.463 -0.268 2.474 25753
32 1 6 "Average Difference" HA 52 0.358 0.019 0.361 25753
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25753
34 1 6 "Average Difference" CA 51 2.029 0.839 1.866 25753
35 1 6 "Average Difference" CB 50 5.209 -1.242 5.111 25753
36 1 6 "Average Difference" HN 50 0.546 -0.074 0.546 25753
37 1 7 "Average Difference" N 49 2.363 -0.262 2.373 25753
38 1 7 "Average Difference" HA 52 0.367 0.030 0.369 25753
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25753
40 1 7 "Average Difference" CA 51 2.015 0.724 1.899 25753
41 1 7 "Average Difference" CB 50 5.213 -1.222 5.119 25753
42 1 7 "Average Difference" HN 50 0.518 -0.069 0.519 25753
43 1 8 "Average Difference" N 49 2.475 -0.166 2.495 25753
44 1 8 "Average Difference" HA 52 0.376 0.017 0.380 25753
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25753
46 1 8 "Average Difference" CA 51 2.047 0.761 1.919 25753
47 1 8 "Average Difference" CB 50 5.222 -1.222 5.128 25753
48 1 8 "Average Difference" HN 50 0.612 -0.134 0.603 25753
49 1 9 "Average Difference" N 49 2.434 -0.247 2.447 25753
50 1 9 "Average Difference" HA 52 0.363 0.018 0.366 25753
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25753
52 1 9 "Average Difference" CA 51 2.031 0.736 1.912 25753
53 1 9 "Average Difference" CB 50 5.163 -1.208 5.070 25753
54 1 9 "Average Difference" HN 50 0.561 -0.109 0.555 25753
55 1 10 "Average Difference" N 49 2.511 -0.149 2.532 25753
56 1 10 "Average Difference" HA 52 0.379 0.003 0.383 25753
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25753
58 1 10 "Average Difference" CA 51 2.024 0.797 1.878 25753
59 1 10 "Average Difference" CB 50 5.242 -1.262 5.140 25753
60 1 10 "Average Difference" HN 50 0.525 -0.103 0.521 25753
61 1 11 "Average Difference" N 49 2.396 -0.199 2.413 25753
62 1 11 "Average Difference" HA 52 0.367 0.023 0.370 25753
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25753
64 1 11 "Average Difference" CA 51 2.019 0.762 1.889 25753
65 1 11 "Average Difference" CB 50 5.233 -1.213 5.142 25753
66 1 11 "Average Difference" HN 50 0.550 -0.100 0.546 25753
67 1 12 "Average Difference" N 49 2.646 -0.275 2.659 25753
68 1 12 "Average Difference" HA 52 0.363 0.012 0.366 25753
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25753
70 1 12 "Average Difference" CA 51 2.037 0.820 1.883 25753
71 1 12 "Average Difference" CB 50 5.227 -1.244 5.128 25753
72 1 12 "Average Difference" HN 50 0.579 -0.091 0.578 25753
73 1 13 "Average Difference" N 49 2.570 -0.364 2.570 25753
74 1 13 "Average Difference" HA 52 0.372 0.009 0.376 25753
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25753
76 1 13 "Average Difference" CA 51 2.071 0.822 1.920 25753
77 1 13 "Average Difference" CB 50 5.273 -1.185 5.190 25753
78 1 13 "Average Difference" HN 50 0.577 -0.136 0.566 25753
79 1 14 "Average Difference" N 49 2.418 -0.241 2.431 25753
80 1 14 "Average Difference" HA 52 0.370 0.008 0.374 25753
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25753
82 1 14 "Average Difference" CA 51 2.029 0.825 1.872 25753
83 1 14 "Average Difference" CB 50 5.192 -1.325 5.071 25753
84 1 14 "Average Difference" HN 50 0.537 -0.103 0.533 25753
85 1 15 "Average Difference" N 49 2.493 -0.373 2.491 25753
86 1 15 "Average Difference" HA 52 0.361 0.018 0.364 25753
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25753
88 1 15 "Average Difference" CA 51 2.077 0.863 1.908 25753
89 1 15 "Average Difference" CB 50 5.329 -1.236 5.236 25753
90 1 15 "Average Difference" HN 50 0.559 -0.108 0.554 25753
91 1 16 "Average Difference" N 49 2.588 -0.293 2.598 25753
92 1 16 "Average Difference" HA 52 0.353 0.006 0.356 25753
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25753
94 1 16 "Average Difference" CA 51 2.022 0.787 1.882 25753
95 1 16 "Average Difference" CB 50 5.275 -1.219 5.184 25753
96 1 16 "Average Difference" HN 50 0.599 -0.086 0.599 25753
97 1 17 "Average Difference" N 49 2.484 -0.375 2.481 25753
98 1 17 "Average Difference" HA 52 0.384 -0.002 0.387 25753
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25753
100 1 17 "Average Difference" CA 51 2.043 0.838 1.882 25753
101 1 17 "Average Difference" CB 50 5.310 -1.287 5.204 25753
102 1 17 "Average Difference" HN 50 0.524 -0.103 0.519 25753
103 1 18 "Average Difference" N 49 2.609 -0.065 2.635 25753
104 1 18 "Average Difference" HA 52 0.376 0.022 0.379 25753
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25753
106 1 18 "Average Difference" CA 51 2.057 0.746 1.936 25753
107 1 18 "Average Difference" CB 50 5.300 -1.257 5.201 25753
108 1 18 "Average Difference" HN 50 0.603 -0.124 0.596 25753
109 1 19 "Average Difference" N 49 2.558 -0.371 2.557 25753
110 1 19 "Average Difference" HA 52 0.368 0.000 0.372 25753
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25753
112 1 19 "Average Difference" CA 51 2.009 0.847 1.840 25753
113 1 19 "Average Difference" CB 50 5.228 -1.263 5.124 25753
114 1 19 "Average Difference" HN 50 0.558 -0.114 0.552 25753
115 1 20 "Average Difference" N 49 2.557 -0.279 2.568 25753
116 1 20 "Average Difference" HA 52 0.353 0.025 0.356 25753
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25753
118 1 20 "Average Difference" CA 51 2.006 0.786 1.864 25753
119 1 20 "Average Difference" CB 50 5.248 -1.207 5.159 25753
120 1 20 "Average Difference" HN 50 0.551 -0.092 0.548 25753
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 25753
_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 3 3 LYS HA H 3 4.270 4.270 4.283 -0.013 25753
2 1 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.929 0.282 25753
3 1 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.736 -0.414 25753
4 1 . 1 1 3 3 LYS H H 3 8.214 8.214 8.227 -0.013 25753
5 1 . 1 1 4 4 CYS N N 4 116.570 116.570 118.097 -1.527 25753
6 1 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.345 0.349 25753
7 1 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.077 -3.305 25753
8 1 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.923 14.677 25753
9 1 . 1 1 4 4 CYS H H 4 8.430 8.430 8.366 0.064 25753
10 1 . 1 1 5 5 LYS N N 5 118.500 118.500 119.067 -0.567 25753
11 1 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.510 0.992 25753
12 1 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.192 -1.626 25753
13 1 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.606 0.694 25753
14 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.823 0.142 25753
15 1 . 1 1 6 6 LYS N N 6 121.002 121.002 122.290 -1.288 25753
16 1 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.530 0.183 25753
17 1 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.842 0.158 25753
18 1 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.628 0.945 25753
19 1 . 1 1 6 6 LYS H H 6 8.980 8.980 7.943 1.037 25753
20 1 . 1 1 7 7 VAL N N 7 127.157 127.157 124.129 3.028 25753
21 1 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.917 -0.004 25753
22 1 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.203 1.197 25753
23 1 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.729 -0.065 25753
24 1 . 1 1 7 7 VAL H H 7 8.756 8.756 8.499 0.257 25753
25 1 . 1 1 8 8 TYR N N 8 129.707 129.707 129.504 0.203 25753
26 1 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.338 0.045 25753
27 1 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.759 -3.609 25753
28 1 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.732 -4.112 25753
29 1 . 1 1 8 8 TYR H H 8 9.160 9.160 8.183 0.977 25753
30 1 . 1 1 9 9 GLU N N 9 130.601 130.601 123.012 7.589 25753
31 1 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.076 0.044 25753
32 1 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.798 -0.900 25753
33 1 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.023 -1.010 25753
34 1 . 1 1 9 9 GLU H H 9 8.964 8.964 8.863 0.101 25753
35 1 . 1 1 10 10 ASN N N 10 115.766 115.766 114.227 1.539 25753
36 1 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.820 -0.455 25753
37 1 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.310 0.890 25753
38 1 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.817 -1.857 25753
39 1 . 1 1 10 10 ASN H H 10 9.232 9.232 8.265 0.967 25753
40 1 . 1 1 11 11 TYR N N 11 122.267 122.267 122.434 -0.167 25753
41 1 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.730 -0.595 25753
42 1 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.915 2.032 25753
43 1 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.943 -0.838 25753
44 1 . 1 1 11 11 TYR H H 11 7.473 7.473 8.385 -0.912 25753
45 1 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.563 -0.131 25753
46 1 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.771 -0.924 25753
47 1 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.610 -2.360 25753
48 1 . 1 1 13 13 VAL N N 13 123.595 123.595 125.031 -1.436 25753
49 1 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.686 0.068 25753
50 1 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.003 0.497 25753
51 1 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.782 -0.671 25753
52 1 . 1 1 13 13 VAL H H 13 8.102 8.102 8.547 -0.445 25753
53 1 . 1 1 14 14 SER N N 14 116.945 116.945 115.157 1.788 25753
54 1 . 1 1 14 14 SER HA H 14 4.119 4.119 4.242 -0.123 25753
55 1 . 1 1 14 14 SER CA C 14 61.050 61.050 61.304 -0.254 25753
56 1 . 1 1 14 14 SER CB C 14 61.239 61.239 62.772 -1.533 25753
57 1 . 1 1 14 14 SER H H 14 8.387 8.387 8.296 0.091 25753
58 1 . 1 1 15 15 LYS N N 15 121.073 121.073 121.719 -0.646 25753
59 1 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.187 -0.118 25753
60 1 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.594 0.706 25753
61 1 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.149 -0.914 25753
62 1 . 1 1 15 15 LYS H H 15 7.821 7.821 7.962 -0.141 25753
63 1 . 1 1 16 16 CYS N N 16 115.469 115.469 119.004 -3.535 25753
64 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.291 0.445 25753
65 1 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.119 -3.319 25753
66 1 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.940 14.314 25753
67 1 . 1 1 16 16 CYS H H 16 7.844 7.844 7.653 0.191 25753
68 1 . 1 1 17 17 GLN N N 17 115.128 115.128 117.227 -2.099 25753
69 1 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.032 0.181 25753
70 1 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.625 -1.525 25753
71 1 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.957 -0.357 25753
72 1 . 1 1 17 17 GLN H H 17 7.381 7.381 7.574 -0.193 25753
73 1 . 1 1 18 18 LEU N N 18 120.972 120.972 119.759 1.213 25753
74 1 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.588 -0.082 25753
75 1 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.255 0.045 25753
76 1 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.297 -0.203 25753
77 1 . 1 1 18 18 LEU H H 18 7.286 7.286 7.749 -0.463 25753
78 1 . 1 1 19 19 ALA N N 19 127.694 127.694 128.912 -1.218 25753
79 1 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.002 0.113 25753
80 1 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.524 -1.924 25753
81 1 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.493 -0.593 25753
82 1 . 1 1 19 19 ALA H H 19 8.556 8.556 8.970 -0.414 25753
83 1 . 1 1 20 20 ASN N N 20 116.006 116.006 114.902 1.104 25753
84 1 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.465 0.163 25753
85 1 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.919 -1.219 25753
86 1 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.791 1.202 25753
87 1 . 1 1 20 20 ASN H H 20 9.044 9.044 8.748 0.296 25753
88 1 . 1 1 21 21 GLN N N 21 122.731 122.731 120.805 1.926 25753
89 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.317 -0.486 25753
90 1 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.108 0.092 25753
91 1 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.890 0.200 25753
92 1 . 1 1 21 21 GLN H H 21 7.662 7.662 7.725 -0.063 25753
93 1 . 1 1 22 22 CYS N N 22 118.925 118.925 119.992 -1.067 25753
94 1 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.140 0.123 25753
95 1 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.742 -5.642 25753
96 1 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.427 12.073 25753
97 1 . 1 1 22 22 CYS H H 22 8.475 8.475 7.941 0.534 25753
98 1 . 1 1 23 23 ASN N N 23 118.714 118.714 118.057 0.657 25753
99 1 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.439 -0.633 25753
100 1 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.135 0.265 25753
101 1 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.506 0.525 25753
102 1 . 1 1 23 23 ASN H H 23 7.972 7.972 8.218 -0.246 25753
103 1 . 1 1 24 24 TYR N N 24 117.828 117.828 120.084 -2.256 25753
104 1 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.127 -0.213 25753
105 1 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.411 -0.211 25753
106 1 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.388 -0.305 25753
107 1 . 1 1 24 24 TYR H H 24 8.107 8.107 7.817 0.290 25753
108 1 . 1 1 25 25 ASP N N 25 119.620 119.620 117.218 2.402 25753
109 1 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.319 0.310 25753
110 1 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.892 0.508 25753
111 1 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.847 -1.547 25753
112 1 . 1 1 25 25 ASP H H 25 9.064 9.064 8.407 0.657 25753
113 1 . 1 1 26 26 CYS N N 26 120.031 120.031 120.415 -0.383 25753
114 1 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753
115 1 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.667 -1.467 25753
116 1 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.522 10.078 25753
117 1 . 1 1 26 26 CYS H H 26 9.280 9.280 8.366 0.914 25753
118 1 . 1 1 27 27 LYS N N 27 119.838 119.838 118.994 0.844 25753
119 1 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.250 -0.146 25753
120 1 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.034 1.266 25753
121 1 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.050 0.150 25753
122 1 . 1 1 27 27 LYS H H 27 7.646 7.646 8.454 -0.808 25753
123 1 . 1 1 28 28 LEU N N 28 119.791 119.791 121.041 -1.250 25753
124 1 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.227 -0.192 25753
125 1 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.594 -0.394 25753
126 1 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.785 -0.793 25753
127 1 . 1 1 28 28 LEU H H 28 8.257 8.257 7.775 0.482 25753
128 1 . 1 1 29 29 ASP N N 29 116.737 116.737 118.851 -2.114 25753
129 1 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.600 -0.123 25753
130 1 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.536 -0.939 25753
131 1 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.575 -1.275 25753
132 1 . 1 1 29 29 ASP H H 29 8.977 8.977 8.547 0.430 25753
133 1 . 1 1 30 30 LYS N N 30 111.907 111.907 116.701 -4.794 25753
134 1 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.289 0.192 25753
135 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.206 -3.227 25753
136 1 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.969 -1.485 25753
137 1 . 1 1 30 30 LYS H H 30 6.618 6.618 7.773 -1.155 25753
138 1 . 1 1 31 31 HIS N N 31 112.966 112.966 115.443 -2.477 25753
139 1 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.289 0.253 25753
140 1 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.630 -0.730 25753
141 1 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.975 -2.508 25753
142 1 . 1 1 31 31 HIS H H 31 7.013 7.013 7.843 -0.830 25753
143 1 . 1 1 32 32 ALA N N 32 120.001 120.001 119.876 0.125 25753
144 1 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.898 0.157 25753
145 1 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.602 -1.202 25753
146 1 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.749 -0.849 25753
147 1 . 1 1 32 32 ALA H H 32 7.644 7.644 7.297 0.347 25753
148 1 . 1 1 33 33 ARG N N 33 116.588 116.588 120.449 -3.861 25753
149 1 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.989 0.148 25753
150 1 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.849 -0.951 25753
151 1 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.678 -0.291 25753
152 1 . 1 1 33 33 ARG H H 33 8.254 8.254 8.348 -0.094 25753
153 1 . 1 1 34 34 SER N N 34 109.178 109.178 109.089 0.089 25753
154 1 . 1 1 34 34 SER HA H 34 4.593 4.593 4.858 -0.265 25753
155 1 . 1 1 34 34 SER CA C 34 57.500 57.500 57.319 0.181 25753
156 1 . 1 1 34 34 SER CB C 34 64.825 64.825 66.881 -2.056 25753
157 1 . 1 1 34 34 SER H H 34 7.989 7.989 7.644 0.345 25753
158 1 . 1 1 35 35 GLY N N 35 107.345 107.345 106.859 0.486 25753
159 1 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.861 0.839 25753
160 1 . 1 1 35 35 GLY H H 35 8.633 8.633 8.559 0.074 25753
161 1 . 1 1 36 36 GLU N N 36 118.288 118.288 121.797 -3.509 25753
162 1 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.840 -0.547 25753
163 1 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.442 0.758 25753
164 1 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.445 -1.781 25753
165 1 . 1 1 36 36 GLU H H 36 8.236 8.236 8.756 -0.520 25753
166 1 . 1 1 37 37 CYS N N 37 120.776 120.776 118.801 1.975 25753
167 1 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.064 0.939 25753
168 1 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.513 -2.313 25753
169 1 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.430 17.270 25753
170 1 . 1 1 37 37 CYS H H 37 8.856 8.856 8.615 0.241 25753
171 1 . 1 1 38 38 PHE N N 38 121.520 121.520 122.014 -0.494 25753
172 1 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.841 -0.154 25753
173 1 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.715 0.785 25753
174 1 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.708 0.305 25753
175 1 . 1 1 38 38 PHE H H 38 9.082 9.082 9.153 -0.071 25753
176 1 . 1 1 39 39 TYR N N 39 122.581 122.581 122.426 0.155 25753
177 1 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.707 -0.095 25753
178 1 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.281 0.519 25753
179 1 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.949 0.151 25753
180 1 . 1 1 39 39 TYR H H 39 8.683 8.683 8.611 0.072 25753
181 1 . 1 1 40 40 LYS N N 40 126.022 126.022 125.138 0.884 25753
182 1 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.591 -0.272 25753
183 1 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.105 0.595 25753
184 1 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.251 -1.452 25753
185 1 . 1 1 40 40 LYS H H 40 8.319 8.319 8.448 -0.129 25753
186 1 . 1 1 41 41 GLU N N 41 120.017 120.017 118.374 1.643 25753
187 1 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.098 0.029 25753
188 1 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.025 -1.224 25753
189 1 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.406 -0.343 25753
190 1 . 1 1 41 41 GLU H H 41 8.657 8.657 8.572 0.085 25753
191 1 . 1 1 42 42 LYS N N 42 116.887 116.887 120.776 -3.889 25753
192 1 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.198 -0.406 25753
193 1 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.118 -0.418 25753
194 1 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.538 -1.738 25753
195 1 . 1 1 42 42 LYS H H 42 8.468 8.468 8.380 0.088 25753
196 1 . 1 1 43 43 ARG N N 43 115.559 115.559 116.001 -0.442 25753
197 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.486 -0.260 25753
198 1 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.857 0.143 25753
199 1 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.184 -1.384 25753
200 1 . 1 1 43 43 ARG H H 43 8.165 8.165 8.068 0.097 25753
201 1 . 1 1 44 44 ASN N N 44 117.868 117.868 119.158 -1.290 25753
202 1 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.628 0.253 25753
203 1 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.987 -1.587 25753
204 1 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.178 0.022 25753
205 1 . 1 1 44 44 ASN H H 44 7.983 7.983 7.939 0.044 25753
206 1 . 1 1 45 45 LEU N N 45 125.712 125.712 121.150 4.562 25753
207 1 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.605 -0.299 25753
208 1 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.762 1.338 25753
209 1 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.736 -2.669 25753
210 1 . 1 1 45 45 LEU H H 45 8.193 8.193 8.336 -0.143 25753
211 1 . 1 1 46 46 GLN N N 46 120.613 120.613 119.418 1.195 25753
212 1 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753
213 1 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.110 -0.110 25753
214 1 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.004 -1.043 25753
215 1 . 1 1 46 46 GLN H H 46 8.425 8.425 8.712 -0.287 25753
216 1 . 1 1 47 47 CYS N N 47 122.193 122.193 121.183 1.010 25753
217 1 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.947 -0.143 25753
218 1 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.611 -3.911 25753
219 1 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.806 10.194 25753
220 1 . 1 1 47 47 CYS H H 47 9.198 9.198 8.936 0.262 25753
221 1 . 1 1 48 48 ILE N N 48 129.093 129.093 125.460 3.633 25753
222 1 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.657 -0.357 25753
223 1 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.749 0.451 25753
224 1 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.409 -2.309 25753
225 1 . 1 1 48 48 ILE H H 48 8.696 8.696 8.824 -0.128 25753
226 1 . 1 1 49 49 CYS N N 49 126.279 126.279 124.442 1.837 25753
227 1 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.464 0.803 25753
228 1 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.955 -7.568 25753
229 1 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.484 6.063 25753
230 1 . 1 1 49 49 CYS H H 49 8.555 8.555 8.949 -0.394 25753
231 1 . 1 1 50 50 ASP N N 50 122.491 122.491 119.096 3.395 25753
232 1 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.894 0.569 25753
233 1 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.799 -1.699 25753
234 1 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.489 -1.443 25753
235 1 . 1 1 50 50 ASP H H 50 8.813 8.813 8.484 0.329 25753
236 1 . 1 1 51 51 TYR N N 51 124.921 124.921 121.740 3.181 25753
237 1 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753
238 1 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.425 1.675 25753
239 1 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.885 -0.385 25753
240 1 . 1 1 51 51 TYR H H 51 9.633 9.633 8.298 1.335 25753
241 1 . 1 1 52 52 CYS N N 52 120.435 120.435 116.238 4.197 25753
242 1 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.762 -0.348 25753
243 1 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.979 -3.179 25753
244 1 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.628 13.372 25753
245 1 . 1 1 52 52 CYS H H 52 9.550 9.550 8.196 1.354 25753
246 1 . 1 1 53 53 GLU N N 53 120.972 120.972 119.521 1.451 25753
247 1 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.522 -0.275 25753
248 1 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.811 -0.511 25753
249 1 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.912 0.161 25753
250 1 . 1 1 53 53 GLU H H 53 8.335 8.335 8.303 0.032 25753
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