data_18049
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18049
_Entry.PDB_ID 2LLI
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 18049
_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 ALA N N 3 125.353 125.353 121.986 3.367 18049
2 1 1 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.459 -0.264 18049
3 1 1 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.765 -2.187 18049
4 1 1 . 1 1 3 3 ALA CB C 3 16.811 16.811 19.154 -2.343 18049
5 1 1 . 1 1 3 3 ALA H H 3 8.182 8.182 7.833 0.349 18049
6 1 1 . 1 1 4 4 ALA N N 4 124.707 124.707 129.132 -4.425 18049
7 1 1 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.455 0.005 18049
8 1 1 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.882 -6.122 18049
9 1 1 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.097 -1.299 18049
10 1 1 . 1 1 4 4 ALA H H 4 8.151 8.151 8.770 -0.619 18049
11 1 1 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.364 0.106 18049
12 1 1 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.597 -4.277 18049
13 1 1 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.824 -2.024 18049
14 1 1 . 1 1 6 6 LYS N N 6 121.400 121.400 115.092 6.308 18049
15 1 1 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.977 0.286 18049
16 1 1 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.053 -5.423 18049
17 1 1 . 1 1 6 6 LYS CB C 6 32.000 32.000 30.486 1.514 18049
18 1 1 . 1 1 6 6 LYS H H 6 8.230 8.230 8.704 -0.474 18049
19 1 1 . 1 1 7 7 CYS N N 7 128.995 128.995 116.899 12.096 18049
20 1 1 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.966 -0.852 18049
21 1 1 . 1 1 7 7 CYS CA C 7 57.020 57.020 56.964 0.056 18049
22 1 1 . 1 1 7 7 CYS CB C 7 27.720 27.720 31.178 -3.458 18049
23 1 1 . 1 1 7 7 CYS H H 7 8.354 8.354 7.976 0.378 18049
24 1 1 . 1 1 8 8 ASN N N 8 127.325 127.325 121.556 5.769 18049
25 1 1 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.547 0.158 18049
26 1 1 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.172 -3.262 18049
27 1 1 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.827 -2.897 18049
28 1 1 . 1 1 8 8 ASN H H 8 8.659 8.659 8.737 -0.078 18049
29 1 1 . 1 1 9 9 ASN N N 9 122.394 122.394 115.275 7.119 18049
30 1 1 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.721 0.079 18049
31 1 1 . 1 1 9 9 ASN CA C 9 53.312 53.312 54.115 -0.803 18049
32 1 1 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.193 -1.318 18049
33 1 1 . 1 1 9 9 ASN H H 9 9.861 9.861 7.795 2.066 18049
34 1 1 . 1 1 10 10 CYS N N 10 117.508 117.508 119.807 -2.299 18049
35 1 1 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.337 0.368 18049
36 1 1 . 1 1 10 10 CYS CA C 10 56.350 56.350 60.597 -4.247 18049
37 1 1 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.513 1.027 18049
38 1 1 . 1 1 10 10 CYS H H 10 8.814 8.814 7.955 0.859 18049
39 1 1 . 1 1 11 11 SER N N 11 115.934 115.934 110.069 5.865 18049
40 1 1 . 1 1 11 11 SER HA H 11 4.150 4.150 4.002 0.148 18049
41 1 1 . 1 1 11 11 SER CA C 11 58.769 58.769 59.943 -1.174 18049
42 1 1 . 1 1 11 11 SER CB C 11 59.635 59.635 62.399 -2.764 18049
43 1 1 . 1 1 11 11 SER H H 11 7.821 7.821 8.736 -0.915 18049
44 1 1 . 1 1 12 12 GLN N N 12 120.325 120.325 116.995 3.330 18049
45 1 1 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.365 -0.004 18049
46 1 1 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.735 -2.865 18049
47 1 1 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.377 -2.464 18049
48 1 1 . 1 1 12 12 GLN H H 12 8.311 8.311 8.462 -0.151 18049
49 1 1 . 1 1 13 13 ARG N N 13 118.657 118.657 119.095 -0.438 18049
50 1 1 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.601 -0.233 18049
51 1 1 . 1 1 13 13 ARG CA C 13 53.030 53.030 54.959 -1.929 18049
52 1 1 . 1 1 13 13 ARG CB C 13 32.300 32.300 32.069 0.231 18049
53 1 1 . 1 1 13 13 ARG H H 13 8.430 8.430 7.611 0.819 18049
54 1 1 . 1 1 14 14 GLY N N 14 107.015 107.015 106.641 0.374 18049
55 1 1 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.628 -2.898 18049
56 1 1 . 1 1 14 14 GLY H H 14 8.706 8.706 8.223 0.482 18049
57 1 1 . 1 1 15 15 HIS N N 15 113.397 113.397 119.114 -5.717 18049
58 1 1 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.679 -0.079 18049
59 1 1 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.012 -0.576 18049
60 1 1 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.773 0.114 18049
61 1 1 . 1 1 15 15 HIS H H 15 6.998 6.998 7.783 -0.785 18049
62 1 1 . 1 1 16 16 LEU N N 16 117.239 117.239 122.736 -5.497 18049
63 1 1 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.297 0.288 18049
64 1 1 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.897 -4.368 18049
65 1 1 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.413 -0.217 18049
66 1 1 . 1 1 16 16 LEU H H 16 8.614 8.614 7.886 0.728 18049
67 1 1 . 1 1 17 17 LYS N N 17 122.561 122.561 121.226 1.335 18049
68 1 1 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.949 0.831 18049
69 1 1 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.351 -1.587 18049
70 1 1 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.846 -2.045 18049
71 1 1 . 1 1 17 17 LYS H H 17 8.681 8.681 8.692 -0.011 18049
72 1 1 . 1 1 18 18 LYS N N 18 117.626 117.626 114.102 3.524 18049
73 1 1 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.297 -0.193 18049
74 1 1 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.812 -1.993 18049
75 1 1 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.272 -3.517 18049
76 1 1 . 1 1 18 18 LYS H H 18 8.320 8.320 8.024 0.296 18049
77 1 1 . 1 1 19 19 ASP N N 19 118.071 118.071 121.986 -3.915 18049
78 1 1 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.649 0.201 18049
79 1 1 . 1 1 19 19 ASP CA C 19 50.832 50.832 57.752 -6.920 18049
80 1 1 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.618 -1.718 18049
81 1 1 . 1 1 19 19 ASP H H 19 7.770 7.770 8.095 -0.325 18049
82 1 1 . 1 1 20 20 CYS N N 20 123.265 123.265 119.665 3.600 18049
83 1 1 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.142 -0.440 18049
84 1 1 . 1 1 20 20 CYS CA C 20 59.556 59.556 62.772 -3.216 18049
85 1 1 . 1 1 20 20 CYS CB C 20 28.496 28.496 25.424 3.072 18049
86 1 1 . 1 1 20 20 CYS H H 20 7.275 7.275 8.093 -0.818 18049
87 1 1 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.883 -4.983 18049
88 1 1 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.698 -0.978 18049
89 1 1 . 1 1 22 22 HIS N N 22 121.576 121.576 117.723 3.853 18049
90 1 1 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.365 -2.881 18049
91 1 1 . 1 1 22 22 HIS CB C 22 27.833 27.833 31.046 -3.213 18049
92 1 1 . 1 1 22 22 HIS H H 22 7.882 7.882 7.878 0.004 18049
93 1 1 . 1 1 23 23 ILE N N 23 117.100 117.100 123.815 -6.715 18049
94 1 1 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.248 -0.078 18049
95 1 1 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.349 -2.929 18049
96 1 1 . 1 1 23 23 ILE CB C 23 36.980 36.980 35.411 1.569 18049
97 1 1 . 1 1 23 23 ILE H H 23 8.660 8.660 8.642 0.018 18049
98 1 1 . 1 1 24 24 ILE N N 24 126.524 126.524 124.715 1.809 18049
99 1 1 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.073 -0.123 18049
100 1 1 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.723 -3.033 18049
101 1 1 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.280 -1.104 18049
102 1 1 . 1 1 24 24 ILE H H 24 8.486 8.486 7.914 0.572 18049
103 1 1 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.677 -3.663 18049
104 1 1 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.307 -1.034 18049
105 1 1 . 1 1 26 26 SER N N 26 127.811 127.811 118.040 9.771 18049
106 1 1 . 1 1 26 26 SER HA H 26 4.050 4.050 3.965 0.085 18049
107 1 1 . 1 1 26 26 SER CA C 26 58.170 58.170 61.383 -3.213 18049
108 1 1 . 1 1 26 26 SER CB C 26 60.523 60.523 63.359 -2.836 18049
109 1 1 . 1 1 26 26 SER H H 26 9.491 9.491 8.902 0.589 18049
110 1 1 . 1 1 27 27 TYR N N 27 124.378 124.378 115.691 8.687 18049
111 1 1 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.649 -0.124 18049
112 1 1 . 1 1 27 27 TYR CA C 27 57.890 57.890 56.154 1.736 18049
113 1 1 . 1 1 27 27 TYR CB C 27 37.093 37.093 38.757 -1.664 18049
114 1 1 . 1 1 27 27 TYR H H 27 9.389 9.389 7.841 1.548 18049
115 1 1 . 1 1 28 28 CYS N N 28 126.900 126.900 118.977 7.923 18049
116 1 1 . 1 1 28 28 CYS CA C 28 55.921 55.921 62.259 -6.338 18049
117 1 1 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.342 0.856 18049
118 1 1 . 1 1 28 28 CYS H H 28 8.490 8.490 7.649 0.841 18049
119 1 1 . 1 1 29 29 GLY N N 29 113.271 113.271 103.244 10.027 18049
120 1 1 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.550 -1.202 18049
121 1 1 . 1 1 29 29 GLY H H 29 7.792 7.792 7.355 0.437 18049
122 1 1 . 1 1 30 30 ALA N N 30 124.805 124.805 120.872 3.933 18049
123 1 1 . 1 1 30 30 ALA HA H 30 4.119 4.119 5.029 -0.910 18049
124 1 1 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.166 0.974 18049
125 1 1 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.582 -3.862 18049
126 1 1 . 1 1 30 30 ALA H H 30 8.541 8.541 8.197 0.344 18049
127 1 1 . 1 1 31 31 THR N N 31 118.352 118.352 118.776 -0.424 18049
128 1 1 . 1 1 31 31 THR CA C 31 58.082 58.082 64.837 -6.755 18049
129 1 1 . 1 1 31 31 THR CB C 31 67.072 67.072 68.456 -1.384 18049
130 1 1 . 1 1 31 31 THR H H 31 8.544 8.544 9.134 -0.590 18049
131 1 1 . 1 1 32 32 ASP N N 32 123.222 123.222 119.078 4.144 18049
132 1 1 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.502 -0.459 18049
133 1 1 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.388 -2.239 18049
134 1 1 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.232 -4.785 18049
135 1 1 . 1 1 32 32 ASP H H 32 9.768 9.768 8.262 1.506 18049
136 1 1 . 1 1 33 33 ASP N N 33 116.889 116.889 117.724 -0.835 18049
137 1 1 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.791 -1.471 18049
138 1 1 . 1 1 33 33 ASP CB C 33 43.190 43.190 43.145 0.045 18049
139 1 1 . 1 1 33 33 ASP H H 33 8.111 8.111 7.895 0.216 18049
140 1 1 . 1 1 34 34 HIS N N 34 110.849 110.849 121.355 -10.506 18049
141 1 1 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.892 -4.702 18049
142 1 1 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.249 7.521 18049
143 1 1 . 1 1 34 34 HIS H H 34 6.959 6.959 8.047 -1.088 18049
144 1 1 . 1 1 35 35 TYR N N 35 117.529 117.529 126.127 -8.598 18049
145 1 1 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.771 -2.634 18049
146 1 1 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.542 -3.975 18049
147 1 1 . 1 1 35 35 TYR H H 35 8.813 8.813 8.096 0.717 18049
148 1 1 . 1 1 36 36 SER N N 36 121.984 121.984 117.181 4.803 18049
149 1 1 . 1 1 36 36 SER CA C 36 57.520 57.520 60.062 -2.542 18049
150 1 1 . 1 1 36 36 SER CB C 36 59.800 59.800 62.805 -3.005 18049
151 1 1 . 1 1 36 36 SER H H 36 8.518 8.518 7.547 0.971 18049
152 1 1 . 1 1 37 37 ARG N N 37 119.707 119.707 117.671 2.036 18049
153 1 1 . 1 1 37 37 ARG CA C 37 51.671 51.671 56.178 -4.507 18049
154 1 1 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.192 -3.099 18049
155 1 1 . 1 1 37 37 ARG H H 37 7.963 7.963 7.631 0.332 18049
156 1 1 . 1 1 38 38 HIS N N 38 125.394 125.394 117.723 7.671 18049
157 1 1 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.761 0.515 18049
158 1 1 . 1 1 38 38 HIS H H 38 7.443 7.443 8.013 -0.570 18049
159 1 1 . 1 1 39 39 CYS HA H 39 4.450 4.450 3.845 0.605 18049
160 1 1 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.784 -12.104 18049
161 1 1 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.587 1.653 18049
162 1 1 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.365 -0.055 18049
163 1 1 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.150 -3.710 18049
164 1 1 . 1 1 40 40 PRO CB C 40 30.300 30.300 30.997 -0.698 18049
165 1 1 . 1 1 41 41 LYS N N 41 121.400 121.400 116.773 4.627 18049
166 1 1 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.349 -0.270 18049
167 1 1 . 1 1 41 41 LYS CA C 41 53.680 53.680 54.683 -1.003 18049
168 1 1 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.561 -1.920 18049
169 1 1 . 1 1 41 41 LYS H H 41 8.650 8.650 7.870 0.780 18049
170 1 1 . 1 1 42 42 ALA N N 42 122.096 122.096 122.309 -0.213 18049
171 1 1 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.439 -0.920 18049
172 1 1 . 1 1 42 42 ALA CA C 42 49.591 49.591 50.918 -1.327 18049
173 1 1 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.476 -4.019 18049
174 1 1 . 1 1 42 42 ALA H H 42 7.201 7.201 7.130 0.071 18049
175 1 1 . 1 1 43 43 ILE N N 43 119.646 119.646 120.008 -0.362 18049
176 1 1 . 1 1 43 43 ILE HA H 43 3.731 3.731 3.830 -0.099 18049
177 1 1 . 1 1 43 43 ILE CA C 43 57.966 57.966 63.831 -5.865 18049
178 1 1 . 1 1 43 43 ILE CB C 43 35.977 35.977 38.369 -2.392 18049
179 1 1 . 1 1 43 43 ILE H H 43 7.086 7.086 8.096 -1.010 18049
180 1 1 . 1 1 44 44 GLN N N 44 125.541 125.541 115.978 9.563 18049
181 1 1 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.379 0.053 18049
182 1 1 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.453 -2.717 18049
183 1 1 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.542 -3.458 18049
184 1 1 . 1 1 44 44 GLN H H 44 7.980 7.980 7.708 0.272 18049
185 1 1 . 1 1 45 45 CYS N N 45 130.678 130.678 117.884 12.794 18049
186 1 1 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.635 -0.515 18049
187 1 1 . 1 1 45 45 CYS CA C 45 57.330 57.330 58.651 -1.321 18049
188 1 1 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.179 -1.179 18049
189 1 1 . 1 1 45 45 CYS H H 45 8.353 8.353 8.467 -0.114 18049
190 1 1 . 1 1 46 46 SER N N 46 124.273 124.273 114.949 9.324 18049
191 1 1 . 1 1 46 46 SER HA H 46 4.334 4.334 4.563 -0.229 18049
192 1 1 . 1 1 46 46 SER CA C 46 56.923 56.923 57.165 -0.242 18049
193 1 1 . 1 1 46 46 SER CB C 46 60.400 60.400 63.778 -3.377 18049
194 1 1 . 1 1 46 46 SER H H 46 8.466 8.466 7.488 0.978 18049
195 1 1 . 1 1 47 47 LYS N N 47 127.929 127.929 120.423 7.506 18049
196 1 1 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.113 0.247 18049
197 1 1 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.822 -1.502 18049
198 1 1 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.384 -1.084 18049
199 1 1 . 1 1 47 47 LYS H H 47 9.720 9.720 8.253 1.467 18049
200 1 1 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.736 -0.146 18049
201 1 1 . 1 1 48 48 CYS CA C 48 51.500 51.500 55.952 -4.452 18049
202 1 1 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.710 -2.610 18049
203 1 1 . 1 1 48 48 CYS H H 48 8.600 8.600 7.661 0.939 18049
204 1 1 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.366 0.344 18049
205 1 1 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.184 0.116 18049
206 1 1 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.848 0.352 18049
207 1 1 . 1 1 49 49 ASP H H 49 8.830 8.830 8.159 0.671 18049
208 1 1 . 1 1 50 50 GLU N N 50 118.700 118.700 117.648 1.052 18049
209 1 1 . 1 1 50 50 GLU HA H 50 4.295 4.295 3.981 0.314 18049
210 1 1 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.042 -2.702 18049
211 1 1 . 1 1 50 50 GLU CB C 50 28.500 28.500 29.211 -0.711 18049
212 1 1 . 1 1 50 50 GLU H H 50 8.226 8.226 8.328 -0.102 18049
213 1 1 . 1 1 51 51 VAL N N 51 118.593 118.593 115.238 3.355 18049
214 1 1 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.144 0.129 18049
215 1 1 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.322 -4.942 18049
216 1 1 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.594 -1.344 18049
217 1 1 . 1 1 51 51 VAL H H 51 8.216 8.216 8.588 -0.372 18049
218 1 1 . 1 1 52 52 GLY N N 52 110.908 110.908 106.623 4.285 18049
219 1 1 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.253 -2.563 18049
220 1 1 . 1 1 52 52 GLY H H 52 8.630 8.630 8.845 -0.215 18049
221 1 1 . 1 1 53 53 HIS N N 53 113.633 113.633 116.114 -2.481 18049
222 1 1 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.594 -0.004 18049
223 1 1 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.319 -1.869 18049
224 1 1 . 1 1 53 53 HIS CB C 53 28.040 28.040 31.256 -3.216 18049
225 1 1 . 1 1 53 53 HIS H H 53 6.855 6.855 7.695 -0.840 18049
226 1 1 . 1 1 54 54 TYR N N 54 115.154 115.154 119.027 -3.873 18049
227 1 1 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.095 0.075 18049
228 1 1 . 1 1 54 54 TYR CA C 54 53.800 53.800 58.353 -4.553 18049
229 1 1 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.652 -2.023 18049
230 1 1 . 1 1 54 54 TYR H H 54 8.054 8.054 8.801 -0.747 18049
231 1 1 . 1 1 55 55 ARG N N 55 126.509 126.509 125.476 1.033 18049
232 1 1 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.021 -0.422 18049
233 1 1 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.173 -1.350 18049
234 1 1 . 1 1 55 55 ARG CB C 55 26.221 26.221 30.317 -4.096 18049
235 1 1 . 1 1 55 55 ARG H H 55 8.490 8.490 7.816 0.674 18049
236 1 1 . 1 1 56 56 SER N N 56 116.450 116.450 116.054 0.396 18049
237 1 1 . 1 1 56 56 SER CA C 56 56.523 56.523 59.187 -2.664 18049
238 1 1 . 1 1 56 56 SER CB C 56 62.261 62.261 62.320 -0.059 18049
239 1 1 . 1 1 56 56 SER H H 56 8.247 8.247 8.723 -0.477 18049
240 1 1 . 1 1 57 57 GLN N N 57 124.678 124.678 113.970 10.708 18049
241 1 1 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.061 0.113 18049
242 1 1 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.058 -2.448 18049
243 1 1 . 1 1 57 57 GLN CB C 57 27.060 27.060 26.290 0.770 18049
244 1 1 . 1 1 57 57 GLN H H 57 8.702 8.702 8.034 0.668 18049
245 1 1 . 1 1 58 58 CYS N N 58 126.577 126.577 117.340 9.237 18049
246 1 1 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.151 0.265 18049
247 1 1 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.777 -3.776 18049
248 1 1 . 1 1 58 58 CYS CB C 58 31.080 31.080 26.504 4.576 18049
249 1 1 . 1 1 58 58 CYS H H 58 7.694 7.694 8.134 -0.440 18049
250 1 1 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.654 3.136 18049
251 1 1 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.508 -2.097 18049
252 1 1 . 1 1 63 63 LYS N N 63 121.641 121.641 122.525 -0.884 18049
253 1 1 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.382 -4.010 18049
254 1 1 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.312 -4.520 18049
255 1 1 . 1 1 63 63 LYS H H 63 8.033 8.033 8.575 -0.542 18049
256 1 1 . 1 1 64 64 LYS N N 64 111.775 111.775 116.075 -4.300 18049
257 1 1 . 1 1 64 64 LYS CA C 64 53.743 53.743 56.681 -2.938 18049
258 1 1 . 1 1 64 64 LYS H H 64 8.104 8.104 7.590 0.514 18049
259 1 1 . 1 1 65 65 VAL N N 65 122.037 122.037 120.208 1.829 18049
260 1 1 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.865 0.175 18049
261 1 1 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.179 -2.889 18049
262 1 1 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.497 -3.086 18049
263 1 1 . 1 1 65 65 VAL H H 65 8.306 8.306 8.221 0.085 18049
264 1 1 . 1 1 66 66 GLN N N 66 121.994 121.994 124.329 -2.335 18049
265 1 1 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.438 -3.835 18049
266 1 1 . 1 1 66 66 GLN CB C 66 30.300 30.300 29.089 1.211 18049
267 1 1 . 1 1 66 66 GLN H H 66 8.360 8.360 8.804 -0.444 18049
268 1 1 . 1 1 67 67 CYS N N 67 121.582 121.582 118.384 3.198 18049
269 1 1 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.596 -0.557 18049
270 1 1 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.924 0.291 18049
271 1 1 . 1 1 67 67 CYS CB C 67 30.532 30.532 29.322 1.210 18049
272 1 1 . 1 1 67 67 CYS H H 67 8.032 8.032 8.332 -0.300 18049
273 1 1 . 1 1 68 68 THR HA H 68 4.046 4.046 4.394 -0.348 18049
274 1 1 . 1 1 68 68 THR CA C 68 61.228 61.228 63.875 -2.647 18049
275 1 1 . 1 1 68 68 THR CB C 68 65.371 65.371 69.137 -3.766 18049
276 1 1 . 1 1 69 69 LEU N N 69 124.335 124.335 120.432 3.903 18049
277 1 1 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.347 0.035 18049
278 1 1 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.412 -1.983 18049
279 1 1 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.330 -2.540 18049
280 1 1 . 1 1 69 69 LEU H H 69 9.024 9.024 7.963 1.061 18049
281 1 1 . 1 1 70 70 CYS N N 70 118.876 118.876 115.360 3.516 18049
282 1 1 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.532 -0.196 18049
283 1 1 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.743 -5.598 18049
284 1 1 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.569 1.294 18049
285 1 1 . 1 1 70 70 CYS H H 70 8.716 8.716 7.985 0.731 18049
286 1 1 . 1 1 71 71 LYS N N 71 122.961 122.961 116.481 6.480 18049
287 1 1 . 1 1 71 71 LYS HA H 71 4.167 4.167 3.858 0.309 18049
288 1 1 . 1 1 71 71 LYS CA C 71 53.835 53.835 58.684 -4.849 18049
289 1 1 . 1 1 71 71 LYS CB C 71 33.520 33.520 30.695 2.825 18049
290 1 1 . 1 1 71 71 LYS H H 71 8.505 8.505 8.594 -0.089 18049
291 1 1 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.281 -0.043 18049
292 1 1 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.912 -1.669 18049
293 1 1 . 1 1 75 75 HIS N N 75 111.915 111.915 117.856 -5.941 18049
294 1 1 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.220 0.240 18049
295 1 1 . 1 1 75 75 HIS CA C 75 52.255 52.255 56.401 -4.146 18049
296 1 1 . 1 1 75 75 HIS CB C 75 28.700 28.700 28.932 -0.232 18049
297 1 1 . 1 1 75 75 HIS H H 75 6.732 6.732 8.352 -1.620 18049
298 1 1 . 1 1 78 78 GLU N N 78 118.980 118.980 117.146 1.834 18049
299 1 1 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.185 -0.175 18049
300 1 1 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.844 -1.364 18049
301 1 1 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.473 4.877 18049
302 1 1 . 1 1 78 78 GLU H H 78 8.831 8.831 8.247 0.584 18049
303 1 1 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.282 -0.002 18049
304 1 1 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.079 -2.567 18049
305 1 1 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.039 -2.525 18049
306 1 1 . 1 1 82 82 SER N N 82 116.172 116.172 114.450 1.722 18049
307 1 1 . 1 1 82 82 SER HA H 82 4.105 4.105 4.095 0.010 18049
308 1 1 . 1 1 82 82 SER CA C 82 58.317 58.317 58.898 -0.581 18049
309 1 1 . 1 1 82 82 SER CB C 82 60.104 60.104 61.714 -1.610 18049
310 1 1 . 1 1 82 82 SER H H 82 8.684 8.684 8.230 0.454 18049
311 1 1 . 1 1 83 83 ILE N N 83 118.847 118.847 120.513 -1.666 18049
312 1 1 . 1 1 83 83 ILE CA C 83 59.168 59.168 59.407 -0.239 18049
313 1 1 . 1 1 83 83 ILE CB C 83 38.482 38.482 40.493 -2.011 18049
314 1 1 . 1 1 83 83 ILE H H 83 7.424 7.424 7.479 -0.055 18049
315 1 1 . 1 1 84 84 TRP N N 84 115.140 115.140 127.070 -11.930 18049
316 1 1 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.232 -3.639 18049
317 1 1 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.405 -3.537 18049
318 1 1 . 1 1 84 84 TRP H H 84 8.131 8.131 8.461 -0.330 18049
319 1 1 . 1 1 85 85 ARG N N 85 118.936 118.936 118.039 0.897 18049
320 1 1 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.107 -4.889 18049
321 1 1 . 1 1 85 85 ARG CB C 85 29.330 29.330 29.803 -0.473 18049
322 1 1 . 1 1 85 85 ARG H H 85 7.884 7.884 7.821 0.063 18049
323 1 1 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.110 -0.140 18049
324 1 1 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.665 -1.645 18049
325 1 1 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.858 -3.458 18049
326 1 1 . 1 1 87 87 TYR N N 87 117.965 117.965 119.501 -1.536 18049
327 1 1 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.527 -0.071 18049
328 1 1 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.714 -2.786 18049
329 1 1 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.024 0.988 18049
330 1 1 . 1 1 87 87 TYR H H 87 7.733 7.733 8.031 -0.298 18049
331 1 1 . 1 1 89 89 LEU CA C 89 55.641 55.641 55.004 0.637 18049
332 1 1 . 1 1 89 89 LEU CB C 89 36.799 36.799 41.156 -4.357 18049
333 1 1 . 1 1 90 90 VAL N N 90 118.969 118.969 114.690 4.279 18049
334 1 1 . 1 1 90 90 VAL CA C 90 59.110 59.110 60.496 -1.386 18049
335 1 1 . 1 1 90 90 VAL CB C 90 30.127 30.127 35.112 -4.985 18049
336 1 1 . 1 1 90 90 VAL H H 90 8.944 8.944 7.307 1.637 18049
337 1 1 . 1 1 91 91 ASP N N 91 127.947 127.947 119.454 8.493 18049
338 1 1 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.941 -4.973 18049
339 1 1 . 1 1 91 91 ASP CB C 91 38.862 38.862 40.666 -1.804 18049
340 1 1 . 1 1 91 91 ASP H H 91 8.320 8.320 8.460 -0.140 18049
341 1 1 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.113 -2.095 18049
342 1 1 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.097 -2.650 18049
343 1 1 . 1 1 93 93 ASN N N 93 118.727 118.727 119.621 -0.894 18049
344 1 1 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.715 -2.562 18049
345 1 1 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.028 -2.656 18049
346 1 1 . 1 1 93 93 ASN H H 93 8.396 8.396 8.393 0.003 18049
347 1 1 . 1 1 94 94 GLU N N 94 120.824 120.824 122.049 -1.225 18049
348 1 1 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.510 -1.121 18049
349 1 1 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.502 -4.232 18049
350 1 1 . 1 1 94 94 GLU H H 94 8.266 8.266 8.341 -0.075 18049
351 1 1 . 1 1 95 95 LYS N N 95 121.079 121.079 120.789 0.290 18049
352 1 1 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.636 -0.480 18049
353 1 1 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.519 -2.678 18049
354 1 1 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.767 -3.594 18049
355 1 1 . 1 1 95 95 LYS H H 95 8.055 8.055 8.500 -0.445 18049
356 1 1 . 1 1 96 96 ALA N N 96 124.103 124.103 124.161 -0.058 18049
357 1 1 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.440 -0.238 18049
358 1 1 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.493 -1.766 18049
359 1 1 . 1 1 96 96 ALA CB C 96 16.752 16.752 21.018 -4.266 18049
360 1 1 . 1 1 96 96 ALA H H 96 8.053 8.053 7.978 0.075 18049
361 1 1 . 1 1 97 97 LYS N N 97 121.893 121.893 118.110 3.783 18049
362 1 1 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.195 0.690 18049
363 1 1 . 1 1 97 97 LYS CA C 97 51.459 51.459 56.472 -5.013 18049
364 1 1 . 1 1 97 97 LYS H H 97 8.091 8.091 8.270 -0.179 18049
365 1 1 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.551 -0.115 18049
366 1 1 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.016 -2.991 18049
367 1 1 . 1 1 98 98 PRO CB C 98 29.542 29.542 30.762 -1.220 18049
368 1 1 . 1 1 99 99 LYS N N 99 121.497 121.497 121.719 -0.222 18049
369 1 1 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.529 -0.164 18049
370 1 1 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.089 -2.430 18049
371 1 1 . 1 1 99 99 LYS CB C 99 31.973 31.973 35.470 -3.497 18049
372 1 1 . 1 1 99 99 LYS H H 99 8.241 8.241 8.264 -0.023 18049
373 1 1 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.398 -0.131 18049
374 1 1 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.687 -1.284 18049
375 1 1 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.054 -2.597 18049
376 1 1 . 1 1 103 103 PHE N N 103 118.755 118.755 119.580 -0.825 18049
377 1 1 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.706 -1.647 18049
378 1 1 . 1 1 103 103 PHE H H 103 8.675 8.675 7.887 0.788 18049
379 1 1 . 1 1 105 105 THR HA H 105 4.630 4.630 4.446 0.184 18049
380 1 1 . 1 1 105 105 THR CA C 105 59.356 59.356 61.443 -2.087 18049
381 1 1 . 1 1 105 105 THR CB C 105 67.299 67.299 69.638 -2.339 18049
382 1 1 . 1 1 106 106 ILE N N 106 124.035 124.035 125.706 -1.671 18049
383 1 1 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.341 0.290 18049
384 1 1 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.697 -2.967 18049
385 1 1 . 1 1 106 106 ILE CB C 106 36.907 36.907 39.108 -2.201 18049
386 1 1 . 1 1 106 106 ILE H H 106 7.833 7.833 7.819 0.014 18049
387 1 1 . 1 1 107 107 TYR N N 107 118.339 118.339 122.236 -3.897 18049
388 1 1 . 1 1 107 107 TYR HA H 107 4.540 4.540 5.171 -0.631 18049
389 1 1 . 1 1 107 107 TYR CA C 107 55.828 55.828 55.754 0.074 18049
390 1 1 . 1 1 107 107 TYR CB C 107 37.240 37.240 36.123 1.117 18049
391 1 1 . 1 1 107 107 TYR H H 107 8.925 8.925 7.789 1.136 18049
392 1 1 . 1 1 108 108 CYS N N 108 130.380 130.380 117.968 12.412 18049
393 1 1 . 1 1 108 108 CYS HA H 108 4.120 4.120 3.995 0.125 18049
394 1 1 . 1 1 108 108 CYS CA C 108 55.950 55.950 59.796 -3.846 18049
395 1 1 . 1 1 108 108 CYS CB C 108 27.900 27.900 25.679 2.221 18049
396 1 1 . 1 1 108 108 CYS H H 108 8.335 8.335 8.354 -0.019 18049
397 1 1 . 1 1 109 109 TYR N N 109 126.618 126.618 117.493 9.125 18049
398 1 1 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.303 0.097 18049
399 1 1 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.438 -4.168 18049
400 1 1 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.241 -2.741 18049
401 1 1 . 1 1 109 109 TYR H H 109 8.011 8.011 8.732 -0.721 18049
402 1 1 . 1 1 110 110 ASN N N 110 125.398 125.398 116.867 8.531 18049
403 1 1 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.717 0.085 18049
404 1 1 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.548 -0.979 18049
405 1 1 . 1 1 110 110 ASN CB C 110 37.922 37.922 40.220 -2.298 18049
406 1 1 . 1 1 110 110 ASN H H 110 9.284 9.284 8.034 1.250 18049
407 1 1 . 1 1 111 111 CYS N N 111 118.921 118.921 115.856 3.065 18049
408 1 1 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.905 0.005 18049
409 1 1 . 1 1 111 111 CYS CA C 111 55.986 55.986 57.754 -1.768 18049
410 1 1 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.911 0.261 18049
411 1 1 . 1 1 111 111 CYS H H 111 9.171 9.171 8.247 0.924 18049
412 1 1 . 1 1 112 112 GLY N N 112 114.064 114.064 108.933 5.131 18049
413 1 1 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.481 -2.200 18049
414 1 1 . 1 1 112 112 GLY H H 112 7.840 7.840 7.417 0.423 18049
415 1 1 . 1 1 113 113 GLY N N 113 112.541 112.541 108.207 4.334 18049
416 1 1 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.475 -3.283 18049
417 1 1 . 1 1 113 113 GLY H H 113 9.023 9.023 8.424 0.599 18049
418 1 1 . 1 1 114 114 LYS N N 114 119.130 119.130 120.376 -1.246 18049
419 1 1 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.619 -0.359 18049
420 1 1 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.204 -3.454 18049
421 1 1 . 1 1 114 114 LYS CB C 114 31.680 31.680 34.285 -2.605 18049
422 1 1 . 1 1 114 114 LYS H H 114 8.200 8.200 8.430 -0.230 18049
423 1 1 . 1 1 115 115 GLY N N 115 108.864 108.864 109.778 -0.914 18049
424 1 1 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.337 -2.264 18049
425 1 1 . 1 1 115 115 GLY H H 115 8.501 8.501 8.436 0.065 18049
426 1 1 . 1 1 116 116 HIS N N 116 113.173 113.173 119.889 -6.716 18049
427 1 1 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.349 0.082 18049
428 1 1 . 1 1 116 116 HIS CA C 116 52.400 52.400 55.444 -3.044 18049
429 1 1 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.901 -2.371 18049
430 1 1 . 1 1 116 116 HIS H H 116 6.665 6.665 8.172 -1.507 18049
431 1 1 . 1 1 117 117 PHE N N 117 116.353 116.353 116.352 0.001 18049
432 1 1 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.107 0.573 18049
433 1 1 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.069 -3.986 18049
434 1 1 . 1 1 117 117 PHE CB C 117 38.264 38.264 35.884 2.380 18049
435 1 1 . 1 1 117 117 PHE H H 117 8.529 8.529 8.815 -0.286 18049
436 1 1 . 1 1 118 118 GLY N N 118 108.977 108.977 108.083 0.894 18049
437 1 1 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.367 -1.006 18049
438 1 1 . 1 1 118 118 GLY H H 118 8.870 8.870 8.617 0.253 18049
439 1 1 . 1 1 119 119 ASP N N 119 117.997 117.997 120.188 -2.191 18049
440 1 1 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.539 -0.195 18049
441 1 1 . 1 1 119 119 ASP CA C 119 53.504 53.504 55.652 -2.148 18049
442 1 1 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.172 -3.362 18049
443 1 1 . 1 1 119 119 ASP H H 119 7.892 7.892 8.095 -0.203 18049
444 1 1 . 1 1 120 120 ASP N N 120 116.782 116.782 115.955 0.827 18049
445 1 1 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.734 0.121 18049
446 1 1 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.515 -3.830 18049
447 1 1 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.852 -2.653 18049
448 1 1 . 1 1 120 120 ASP H H 120 7.730 7.730 8.002 -0.272 18049
449 1 1 . 1 1 121 121 CYS N N 121 125.836 125.836 123.731 2.105 18049
450 1 1 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.509 0.271 18049
451 1 1 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.976 -2.909 18049
452 1 1 . 1 1 121 121 CYS CB C 121 28.200 28.200 26.541 1.659 18049
453 1 1 . 1 1 121 121 CYS H H 121 7.667 7.667 8.177 -0.510 18049
454 1 2 . 1 1 3 3 ALA N N 3 125.353 125.353 126.011 -0.658 18049
455 1 2 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.368 -0.173 18049
456 1 2 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.980 -2.402 18049
457 1 2 . 1 1 3 3 ALA CB C 3 16.811 16.811 17.499 -0.688 18049
458 1 2 . 1 1 3 3 ALA H H 3 8.182 8.182 8.637 -0.455 18049
459 1 2 . 1 1 4 4 ALA N N 4 124.707 124.707 126.463 -1.756 18049
460 1 2 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.125 0.335 18049
461 1 2 . 1 1 4 4 ALA CA C 4 47.760 47.760 54.185 -6.425 18049
462 1 2 . 1 1 4 4 ALA CB C 4 15.798 15.798 16.959 -1.161 18049
463 1 2 . 1 1 4 4 ALA H H 4 8.151 8.151 8.029 0.122 18049
464 1 2 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.356 0.114 18049
465 1 2 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.315 -3.995 18049
466 1 2 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.846 -2.046 18049
467 1 2 . 1 1 6 6 LYS N N 6 121.400 121.400 115.391 6.009 18049
468 1 2 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.817 0.446 18049
469 1 2 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.284 -4.654 18049
470 1 2 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.415 0.585 18049
471 1 2 . 1 1 6 6 LYS H H 6 8.230 8.230 7.722 0.508 18049
472 1 2 . 1 1 7 7 CYS N N 7 128.995 128.995 118.255 10.740 18049
473 1 2 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.252 -0.138 18049
474 1 2 . 1 1 7 7 CYS CA C 7 57.020 57.020 60.551 -3.531 18049
475 1 2 . 1 1 7 7 CYS CB C 7 27.720 27.720 28.442 -0.722 18049
476 1 2 . 1 1 7 7 CYS H H 7 8.354 8.354 8.102 0.252 18049
477 1 2 . 1 1 8 8 ASN N N 8 127.325 127.325 122.068 5.257 18049
478 1 2 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.472 0.233 18049
479 1 2 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.740 -3.830 18049
480 1 2 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.424 -2.494 18049
481 1 2 . 1 1 8 8 ASN H H 8 8.659 8.659 8.835 -0.176 18049
482 1 2 . 1 1 9 9 ASN N N 9 122.394 122.394 116.379 6.015 18049
483 1 2 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.658 0.142 18049
484 1 2 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.070 0.242 18049
485 1 2 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.098 -1.223 18049
486 1 2 . 1 1 9 9 ASN H H 9 9.861 9.861 8.203 1.658 18049
487 1 2 . 1 1 10 10 CYS N N 10 117.508 117.508 121.042 -3.534 18049
488 1 2 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.389 0.316 18049
489 1 2 . 1 1 10 10 CYS CA C 10 56.350 56.350 59.887 -3.537 18049
490 1 2 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.834 0.706 18049
491 1 2 . 1 1 10 10 CYS H H 10 8.814 8.814 7.909 0.905 18049
492 1 2 . 1 1 11 11 SER N N 11 115.934 115.934 118.100 -2.166 18049
493 1 2 . 1 1 11 11 SER HA H 11 4.150 4.150 4.614 -0.464 18049
494 1 2 . 1 1 11 11 SER CA C 11 58.769 58.769 58.221 0.548 18049
495 1 2 . 1 1 11 11 SER CB C 11 59.635 59.635 62.912 -3.277 18049
496 1 2 . 1 1 11 11 SER H H 11 7.821 7.821 8.428 -0.607 18049
497 1 2 . 1 1 12 12 GLN N N 12 120.325 120.325 122.043 -1.718 18049
498 1 2 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.669 -0.308 18049
499 1 2 . 1 1 12 12 GLN CA C 12 52.870 52.870 54.148 -1.278 18049
500 1 2 . 1 1 12 12 GLN CB C 12 27.913 27.913 31.924 -4.011 18049
501 1 2 . 1 1 12 12 GLN H H 12 8.311 8.311 8.153 0.158 18049
502 1 2 . 1 1 13 13 ARG N N 13 118.657 118.657 120.432 -1.775 18049
503 1 2 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.218 0.150 18049
504 1 2 . 1 1 13 13 ARG CA C 13 53.030 53.030 57.767 -4.737 18049
505 1 2 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.357 1.943 18049
506 1 2 . 1 1 13 13 ARG H H 13 8.430 8.430 8.896 -0.466 18049
507 1 2 . 1 1 14 14 GLY N N 14 107.015 107.015 106.142 0.873 18049
508 1 2 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.316 -1.587 18049
509 1 2 . 1 1 14 14 GLY H H 14 8.706 8.706 7.945 0.761 18049
510 1 2 . 1 1 15 15 HIS N N 15 113.397 113.397 114.359 -0.962 18049
511 1 2 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.218 0.382 18049
512 1 2 . 1 1 15 15 HIS CA C 15 52.436 52.436 55.578 -3.142 18049
513 1 2 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.858 0.029 18049
514 1 2 . 1 1 15 15 HIS H H 15 6.998 6.998 8.541 -1.543 18049
515 1 2 . 1 1 16 16 LEU N N 16 117.239 117.239 114.051 3.188 18049
516 1 2 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.282 0.303 18049
517 1 2 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.319 -3.790 18049
518 1 2 . 1 1 16 16 LEU CB C 16 42.196 42.196 41.918 0.278 18049
519 1 2 . 1 1 16 16 LEU H H 16 8.614 8.614 7.730 0.884 18049
520 1 2 . 1 1 17 17 LYS N N 17 122.561 122.561 121.289 1.272 18049
521 1 2 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.908 0.872 18049
522 1 2 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.346 -1.582 18049
523 1 2 . 1 1 17 17 LYS CB C 17 29.801 29.801 32.116 -2.315 18049
524 1 2 . 1 1 17 17 LYS H H 17 8.681 8.681 8.291 0.390 18049
525 1 2 . 1 1 18 18 LYS N N 18 117.626 117.626 114.726 2.900 18049
526 1 2 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.197 -0.093 18049
527 1 2 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.878 -2.059 18049
528 1 2 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.235 -3.480 18049
529 1 2 . 1 1 18 18 LYS H H 18 8.320 8.320 8.029 0.291 18049
530 1 2 . 1 1 19 19 ASP N N 19 118.071 118.071 120.926 -2.855 18049
531 1 2 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.729 0.121 18049
532 1 2 . 1 1 19 19 ASP CA C 19 50.832 50.832 57.372 -6.540 18049
533 1 2 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.048 -2.148 18049
534 1 2 . 1 1 19 19 ASP H H 19 7.770 7.770 8.247 -0.477 18049
535 1 2 . 1 1 20 20 CYS N N 20 123.265 123.265 119.856 3.409 18049
536 1 2 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.958 -0.256 18049
537 1 2 . 1 1 20 20 CYS CA C 20 59.556 59.556 62.778 -3.222 18049
538 1 2 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.044 1.452 18049
539 1 2 . 1 1 20 20 CYS H H 20 7.275 7.275 8.215 -0.940 18049
540 1 2 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.131 -4.231 18049
541 1 2 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.755 -1.035 18049
542 1 2 . 1 1 22 22 HIS N N 22 121.576 121.576 120.441 1.135 18049
543 1 2 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.517 -4.033 18049
544 1 2 . 1 1 22 22 HIS CB C 22 27.833 27.833 31.503 -3.670 18049
545 1 2 . 1 1 22 22 HIS H H 22 7.882 7.882 7.586 0.296 18049
546 1 2 . 1 1 23 23 ILE N N 23 117.100 117.100 123.552 -6.452 18049
547 1 2 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.318 -0.148 18049
548 1 2 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.602 -3.182 18049
549 1 2 . 1 1 23 23 ILE CB C 23 36.980 36.980 39.562 -2.583 18049
550 1 2 . 1 1 23 23 ILE H H 23 8.660 8.660 7.608 1.052 18049
551 1 2 . 1 1 24 24 ILE N N 24 126.524 126.524 126.617 -0.093 18049
552 1 2 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.421 -0.471 18049
553 1 2 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.083 -3.393 18049
554 1 2 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.040 0.136 18049
555 1 2 . 1 1 24 24 ILE H H 24 8.486 8.486 8.709 -0.223 18049
556 1 2 . 1 1 25 25 CYS CA C 25 56.014 56.014 60.369 -4.355 18049
557 1 2 . 1 1 25 25 CYS CB C 25 27.273 27.273 26.000 1.273 18049
558 1 2 . 1 1 26 26 SER N N 26 127.811 127.811 112.761 15.050 18049
559 1 2 . 1 1 26 26 SER HA H 26 4.050 4.050 4.203 -0.153 18049
560 1 2 . 1 1 26 26 SER CA C 26 58.170 58.170 58.908 -0.738 18049
561 1 2 . 1 1 26 26 SER CB C 26 60.523 60.523 62.982 -2.459 18049
562 1 2 . 1 1 26 26 SER H H 26 9.491 9.491 8.350 1.141 18049
563 1 2 . 1 1 27 27 TYR N N 27 124.378 124.378 116.152 8.226 18049
564 1 2 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.283 0.242 18049
565 1 2 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.763 -0.873 18049
566 1 2 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.129 -0.036 18049
567 1 2 . 1 1 27 27 TYR H H 27 9.389 9.389 8.205 1.184 18049
568 1 2 . 1 1 28 28 CYS N N 28 126.900 126.900 116.198 10.702 18049
569 1 2 . 1 1 28 28 CYS CA C 28 55.921 55.921 59.128 -3.207 18049
570 1 2 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.504 0.694 18049
571 1 2 . 1 1 28 28 CYS H H 28 8.490 8.490 8.160 0.330 18049
572 1 2 . 1 1 29 29 GLY N N 29 113.271 113.271 106.472 6.799 18049
573 1 2 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.478 -1.130 18049
574 1 2 . 1 1 29 29 GLY H H 29 7.792 7.792 7.087 0.705 18049
575 1 2 . 1 1 30 30 ALA N N 30 124.805 124.805 121.629 3.176 18049
576 1 2 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.526 -0.407 18049
577 1 2 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.694 -0.555 18049
578 1 2 . 1 1 30 30 ALA CB C 30 17.720 17.720 19.722 -2.002 18049
579 1 2 . 1 1 30 30 ALA H H 30 8.541 8.541 8.358 0.183 18049
580 1 2 . 1 1 31 31 THR N N 31 118.352 118.352 111.921 6.431 18049
581 1 2 . 1 1 31 31 THR CA C 31 58.082 58.082 63.043 -4.961 18049
582 1 2 . 1 1 31 31 THR CB C 31 67.072 67.072 69.114 -2.042 18049
583 1 2 . 1 1 31 31 THR H H 31 8.544 8.544 8.239 0.305 18049
584 1 2 . 1 1 32 32 ASP N N 32 123.222 123.222 119.975 3.247 18049
585 1 2 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.679 -0.636 18049
586 1 2 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.014 -1.865 18049
587 1 2 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.181 -4.734 18049
588 1 2 . 1 1 32 32 ASP H H 32 9.768 9.768 7.956 1.812 18049
589 1 2 . 1 1 33 33 ASP N N 33 116.889 116.889 118.837 -1.948 18049
590 1 2 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.245 -0.925 18049
591 1 2 . 1 1 33 33 ASP CB C 33 43.190 43.190 40.559 2.631 18049
592 1 2 . 1 1 33 33 ASP H H 33 8.111 8.111 8.446 -0.335 18049
593 1 2 . 1 1 34 34 HIS N N 34 110.849 110.849 118.921 -8.072 18049
594 1 2 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.398 -4.207 18049
595 1 2 . 1 1 34 34 HIS CB C 34 37.770 37.770 29.975 7.795 18049
596 1 2 . 1 1 34 34 HIS H H 34 6.959 6.959 7.809 -0.850 18049
597 1 2 . 1 1 35 35 TYR N N 35 117.529 117.529 125.557 -8.028 18049
598 1 2 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.806 -2.669 18049
599 1 2 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.052 -3.485 18049
600 1 2 . 1 1 35 35 TYR H H 35 8.813 8.813 7.961 0.852 18049
601 1 2 . 1 1 36 36 SER N N 36 121.984 121.984 120.158 1.826 18049
602 1 2 . 1 1 36 36 SER CA C 36 57.520 57.520 59.820 -2.300 18049
603 1 2 . 1 1 36 36 SER CB C 36 59.800 59.800 62.994 -3.194 18049
604 1 2 . 1 1 36 36 SER H H 36 8.518 8.518 7.956 0.562 18049
605 1 2 . 1 1 37 37 ARG N N 37 119.707 119.707 120.220 -0.513 18049
606 1 2 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.578 -5.907 18049
607 1 2 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.317 -3.224 18049
608 1 2 . 1 1 37 37 ARG H H 37 7.963 7.963 7.432 0.531 18049
609 1 2 . 1 1 38 38 HIS N N 38 125.394 125.394 116.653 8.741 18049
610 1 2 . 1 1 38 38 HIS CA C 38 56.276 56.276 56.445 -0.169 18049
611 1 2 . 1 1 38 38 HIS H H 38 7.443 7.443 7.503 -0.060 18049
612 1 2 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.009 0.441 18049
613 1 2 . 1 1 39 39 CYS CA C 39 51.680 51.680 64.815 -13.135 18049
614 1 2 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.840 2.400 18049
615 1 2 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.609 -0.299 18049
616 1 2 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.363 -3.923 18049
617 1 2 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.750 -1.450 18049
618 1 2 . 1 1 41 41 LYS N N 41 121.400 121.400 119.402 1.998 18049
619 1 2 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.363 -0.284 18049
620 1 2 . 1 1 41 41 LYS CA C 41 53.680 53.680 56.186 -2.506 18049
621 1 2 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.204 -1.563 18049
622 1 2 . 1 1 41 41 LYS H H 41 8.650 8.650 8.141 0.509 18049
623 1 2 . 1 1 42 42 ALA N N 42 122.096 122.096 122.394 -0.298 18049
624 1 2 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.467 -0.948 18049
625 1 2 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.637 -3.046 18049
626 1 2 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.416 -3.960 18049
627 1 2 . 1 1 42 42 ALA H H 42 7.201 7.201 7.651 -0.450 18049
628 1 2 . 1 1 43 43 ILE N N 43 119.646 119.646 120.644 -0.998 18049
629 1 2 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.338 -0.607 18049
630 1 2 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.815 -2.849 18049
631 1 2 . 1 1 43 43 ILE CB C 43 35.977 35.977 39.454 -3.477 18049
632 1 2 . 1 1 43 43 ILE H H 43 7.086 7.086 8.130 -1.044 18049
633 1 2 . 1 1 44 44 GLN N N 44 125.541 125.541 124.216 1.325 18049
634 1 2 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.663 -0.231 18049
635 1 2 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.301 -2.565 18049
636 1 2 . 1 1 44 44 GLN CB C 44 28.084 28.084 33.104 -5.020 18049
637 1 2 . 1 1 44 44 GLN H H 44 7.980 7.980 8.497 -0.517 18049
638 1 2 . 1 1 45 45 CYS N N 45 130.678 130.678 120.205 10.473 18049
639 1 2 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.385 -0.265 18049
640 1 2 . 1 1 45 45 CYS CA C 45 57.330 57.330 58.699 -1.369 18049
641 1 2 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.927 -1.927 18049
642 1 2 . 1 1 45 45 CYS H H 45 8.353 8.353 8.789 -0.436 18049
643 1 2 . 1 1 46 46 SER N N 46 124.273 124.273 124.363 -0.090 18049
644 1 2 . 1 1 46 46 SER HA H 46 4.334 4.334 4.311 0.023 18049
645 1 2 . 1 1 46 46 SER CA C 46 56.923 56.923 61.001 -4.078 18049
646 1 2 . 1 1 46 46 SER CB C 46 60.400 60.400 63.111 -2.711 18049
647 1 2 . 1 1 46 46 SER H H 46 8.466 8.466 9.125 -0.659 18049
648 1 2 . 1 1 47 47 LYS N N 47 127.929 127.929 117.613 10.316 18049
649 1 2 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.605 -0.245 18049
650 1 2 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.028 0.292 18049
651 1 2 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.827 -2.527 18049
652 1 2 . 1 1 47 47 LYS H H 47 9.720 9.720 8.201 1.519 18049
653 1 2 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.723 -0.133 18049
654 1 2 . 1 1 48 48 CYS CA C 48 51.500 51.500 58.343 -6.843 18049
655 1 2 . 1 1 48 48 CYS CB C 48 28.100 28.100 29.442 -1.341 18049
656 1 2 . 1 1 48 48 CYS H H 48 8.600 8.600 7.680 0.920 18049
657 1 2 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.383 0.327 18049
658 1 2 . 1 1 49 49 ASP CA C 49 54.300 54.300 56.489 -2.189 18049
659 1 2 . 1 1 49 49 ASP CB C 49 41.200 41.200 39.632 1.568 18049
660 1 2 . 1 1 49 49 ASP H H 49 8.830 8.830 8.310 0.520 18049
661 1 2 . 1 1 50 50 GLU N N 50 118.700 118.700 116.597 2.103 18049
662 1 2 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.552 -0.257 18049
663 1 2 . 1 1 50 50 GLU CA C 50 54.340 54.340 55.027 -0.687 18049
664 1 2 . 1 1 50 50 GLU CB C 50 28.500 28.500 32.803 -4.303 18049
665 1 2 . 1 1 50 50 GLU H H 50 8.226 8.226 7.420 0.806 18049
666 1 2 . 1 1 51 51 VAL N N 51 118.593 118.593 115.572 3.021 18049
667 1 2 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.747 0.526 18049
668 1 2 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.978 -4.598 18049
669 1 2 . 1 1 51 51 VAL CB C 51 30.250 30.250 30.296 -0.046 18049
670 1 2 . 1 1 51 51 VAL H H 51 8.216 8.216 8.767 -0.551 18049
671 1 2 . 1 1 52 52 GLY N N 52 110.908 110.908 107.275 3.633 18049
672 1 2 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.696 -2.006 18049
673 1 2 . 1 1 52 52 GLY H H 52 8.630 8.630 7.876 0.754 18049
674 1 2 . 1 1 53 53 HIS N N 53 113.633 113.633 117.743 -4.110 18049
675 1 2 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.838 -0.248 18049
676 1 2 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.644 -2.194 18049
677 1 2 . 1 1 53 53 HIS CB C 53 28.040 28.040 30.728 -2.688 18049
678 1 2 . 1 1 53 53 HIS H H 53 6.855 6.855 8.689 -1.834 18049
679 1 2 . 1 1 54 54 TYR N N 54 115.154 115.154 120.121 -4.967 18049
680 1 2 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.591 -0.421 18049
681 1 2 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.990 -3.190 18049
682 1 2 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.249 -3.620 18049
683 1 2 . 1 1 54 54 TYR H H 54 8.054 8.054 7.894 0.160 18049
684 1 2 . 1 1 55 55 ARG N N 55 126.509 126.509 124.348 2.161 18049
685 1 2 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.906 -0.307 18049
686 1 2 . 1 1 55 55 ARG CA C 55 55.823 55.823 58.379 -2.556 18049
687 1 2 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.360 -3.139 18049
688 1 2 . 1 1 55 55 ARG H H 55 8.490 8.490 7.830 0.660 18049
689 1 2 . 1 1 56 56 SER N N 56 116.450 116.450 112.332 4.118 18049
690 1 2 . 1 1 56 56 SER CA C 56 56.523 56.523 59.457 -2.934 18049
691 1 2 . 1 1 56 56 SER CB C 56 62.261 62.261 63.505 -1.244 18049
692 1 2 . 1 1 56 56 SER H H 56 8.247 8.247 7.591 0.656 18049
693 1 2 . 1 1 57 57 GLN N N 57 124.678 124.678 116.626 8.052 18049
694 1 2 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.554 -0.380 18049
695 1 2 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.341 -1.731 18049
696 1 2 . 1 1 57 57 GLN CB C 57 27.060 27.060 30.829 -3.769 18049
697 1 2 . 1 1 57 57 GLN H H 57 8.702 8.702 7.837 0.865 18049
698 1 2 . 1 1 58 58 CYS N N 58 126.577 126.577 124.826 1.751 18049
699 1 2 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.976 -0.560 18049
700 1 2 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.346 -3.345 18049
701 1 2 . 1 1 58 58 CYS CB C 58 31.080 31.080 28.605 2.475 18049
702 1 2 . 1 1 58 58 CYS H H 58 7.694 7.694 8.388 -0.694 18049
703 1 2 . 1 1 62 62 TRP CA C 62 59.791 59.791 55.692 4.099 18049
704 1 2 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.696 -3.285 18049
705 1 2 . 1 1 63 63 LYS N N 63 121.641 121.641 122.156 -0.515 18049
706 1 2 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.258 -3.886 18049
707 1 2 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.903 -5.111 18049
708 1 2 . 1 1 63 63 LYS H H 63 8.033 8.033 8.034 -0.001 18049
709 1 2 . 1 1 64 64 LYS N N 64 111.775 111.775 117.368 -5.593 18049
710 1 2 . 1 1 64 64 LYS CA C 64 53.743 53.743 54.441 -0.698 18049
711 1 2 . 1 1 64 64 LYS H H 64 8.104 8.104 6.832 1.272 18049
712 1 2 . 1 1 65 65 VAL N N 65 122.037 122.037 118.106 3.931 18049
713 1 2 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.378 -0.338 18049
714 1 2 . 1 1 65 65 VAL CA C 65 59.290 59.290 60.736 -1.446 18049
715 1 2 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.321 -2.910 18049
716 1 2 . 1 1 65 65 VAL H H 65 8.306 8.306 7.938 0.368 18049
717 1 2 . 1 1 66 66 GLN N N 66 121.994 121.994 119.519 2.475 18049
718 1 2 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.589 -3.986 18049
719 1 2 . 1 1 66 66 GLN CB C 66 30.300 30.300 27.407 2.893 18049
720 1 2 . 1 1 66 66 GLN H H 66 8.360 8.360 8.634 -0.274 18049
721 1 2 . 1 1 67 67 CYS N N 67 121.582 121.582 117.550 4.032 18049
722 1 2 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.441 -0.402 18049
723 1 2 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.109 0.106 18049
724 1 2 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.852 2.680 18049
725 1 2 . 1 1 67 67 CYS H H 67 8.032 8.032 8.162 -0.130 18049
726 1 2 . 1 1 68 68 THR HA H 68 4.046 4.046 3.901 0.145 18049
727 1 2 . 1 1 68 68 THR CA C 68 61.228 61.228 64.788 -3.560 18049
728 1 2 . 1 1 68 68 THR CB C 68 65.371 65.371 68.296 -2.925 18049
729 1 2 . 1 1 69 69 LEU N N 69 124.335 124.335 116.619 7.716 18049
730 1 2 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.659 -0.277 18049
731 1 2 . 1 1 69 69 LEU CA C 69 54.429 54.429 54.835 -0.406 18049
732 1 2 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.264 -1.474 18049
733 1 2 . 1 1 69 69 LEU H H 69 9.024 9.024 7.733 1.291 18049
734 1 2 . 1 1 70 70 CYS N N 70 118.876 118.876 120.044 -1.168 18049
735 1 2 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.493 -0.157 18049
736 1 2 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.940 -4.795 18049
737 1 2 . 1 1 70 70 CYS CB C 70 29.863 29.863 30.973 -1.110 18049
738 1 2 . 1 1 70 70 CYS H H 70 8.716 8.716 7.674 1.042 18049
739 1 2 . 1 1 71 71 LYS N N 71 122.961 122.961 122.528 0.433 18049
740 1 2 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.936 -0.769 18049
741 1 2 . 1 1 71 71 LYS CA C 71 53.835 53.835 53.277 0.558 18049
742 1 2 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.698 -0.178 18049
743 1 2 . 1 1 71 71 LYS H H 71 8.505 8.505 8.600 -0.095 18049
744 1 2 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.367 -1.129 18049
745 1 2 . 1 1 74 74 LYS CB C 74 31.243 31.243 30.253 0.990 18049
746 1 2 . 1 1 75 75 HIS N N 75 111.915 111.915 119.281 -7.366 18049
747 1 2 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.659 -0.199 18049
748 1 2 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.931 -3.676 18049
749 1 2 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.177 -1.477 18049
750 1 2 . 1 1 75 75 HIS H H 75 6.732 6.732 8.311 -1.579 18049
751 1 2 . 1 1 78 78 GLU N N 78 118.980 118.980 115.383 3.597 18049
752 1 2 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.106 -0.096 18049
753 1 2 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.355 -0.875 18049
754 1 2 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.624 4.726 18049
755 1 2 . 1 1 78 78 GLU H H 78 8.831 8.831 8.413 0.418 18049
756 1 2 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.513 -0.233 18049
757 1 2 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.780 -3.268 18049
758 1 2 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.603 -2.089 18049
759 1 2 . 1 1 82 82 SER N N 82 116.172 116.172 113.649 2.523 18049
760 1 2 . 1 1 82 82 SER HA H 82 4.105 4.105 4.448 -0.343 18049
761 1 2 . 1 1 82 82 SER CA C 82 58.317 58.317 59.101 -0.784 18049
762 1 2 . 1 1 82 82 SER CB C 82 60.104 60.104 62.830 -2.726 18049
763 1 2 . 1 1 82 82 SER H H 82 8.684 8.684 8.047 0.637 18049
764 1 2 . 1 1 83 83 ILE N N 83 118.847 118.847 120.316 -1.469 18049
765 1 2 . 1 1 83 83 ILE CA C 83 59.168 59.168 62.184 -3.016 18049
766 1 2 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.570 -0.088 18049
767 1 2 . 1 1 83 83 ILE H H 83 7.424 7.424 7.520 -0.096 18049
768 1 2 . 1 1 84 84 TRP N N 84 115.140 115.140 120.734 -5.594 18049
769 1 2 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.465 -1.872 18049
770 1 2 . 1 1 84 84 TRP CB C 84 25.868 25.868 31.306 -5.438 18049
771 1 2 . 1 1 84 84 TRP H H 84 8.131 8.131 7.742 0.389 18049
772 1 2 . 1 1 85 85 ARG N N 85 118.936 118.936 124.314 -5.378 18049
773 1 2 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.701 -4.483 18049
774 1 2 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.890 -1.560 18049
775 1 2 . 1 1 85 85 ARG H H 85 7.884 7.884 8.184 -0.300 18049
776 1 2 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.277 -0.307 18049
777 1 2 . 1 1 86 86 ALA CA C 86 50.020 50.020 50.988 -0.968 18049
778 1 2 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.306 -2.906 18049
779 1 2 . 1 1 87 87 TYR N N 87 117.965 117.965 119.228 -1.263 18049
780 1 2 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.653 -0.197 18049
781 1 2 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.314 -2.386 18049
782 1 2 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.272 -0.260 18049
783 1 2 . 1 1 87 87 TYR H H 87 7.733 7.733 8.209 -0.476 18049
784 1 2 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.186 1.455 18049
785 1 2 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.703 -5.904 18049
786 1 2 . 1 1 90 90 VAL N N 90 118.969 118.969 121.557 -2.588 18049
787 1 2 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.897 -2.787 18049
788 1 2 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.976 -2.849 18049
789 1 2 . 1 1 90 90 VAL H H 90 8.944 8.944 8.129 0.815 18049
790 1 2 . 1 1 91 91 ASP N N 91 127.947 127.947 124.974 2.973 18049
791 1 2 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.561 -4.593 18049
792 1 2 . 1 1 91 91 ASP CB C 91 38.862 38.862 42.106 -3.244 18049
793 1 2 . 1 1 91 91 ASP H H 91 8.320 8.320 8.261 0.059 18049
794 1 2 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.878 -1.860 18049
795 1 2 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.119 -2.672 18049
796 1 2 . 1 1 93 93 ASN N N 93 118.727 118.727 115.641 3.086 18049
797 1 2 . 1 1 93 93 ASN CA C 93 51.153 51.153 54.523 -3.370 18049
798 1 2 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.292 -1.921 18049
799 1 2 . 1 1 93 93 ASN H H 93 8.396 8.396 8.490 -0.094 18049
800 1 2 . 1 1 94 94 GLU N N 94 120.824 120.824 118.329 2.495 18049
801 1 2 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.828 -1.439 18049
802 1 2 . 1 1 94 94 GLU CB C 94 27.270 27.270 32.465 -5.195 18049
803 1 2 . 1 1 94 94 GLU H H 94 8.266 8.266 8.270 -0.004 18049
804 1 2 . 1 1 95 95 LYS N N 95 121.079 121.079 120.394 0.685 18049
805 1 2 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.512 -0.356 18049
806 1 2 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.040 -2.199 18049
807 1 2 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.102 -2.929 18049
808 1 2 . 1 1 95 95 LYS H H 95 8.055 8.055 8.454 -0.399 18049
809 1 2 . 1 1 96 96 ALA N N 96 124.103 124.103 124.089 0.014 18049
810 1 2 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.599 -0.397 18049
811 1 2 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.726 -1.999 18049
812 1 2 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.334 -3.582 18049
813 1 2 . 1 1 96 96 ALA H H 96 8.053 8.053 7.918 0.135 18049
814 1 2 . 1 1 97 97 LYS N N 97 121.893 121.893 121.322 0.571 18049
815 1 2 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.680 0.205 18049
816 1 2 . 1 1 97 97 LYS CA C 97 51.459 51.459 55.104 -3.645 18049
817 1 2 . 1 1 97 97 LYS H H 97 8.091 8.091 8.396 -0.305 18049
818 1 2 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.566 -0.130 18049
819 1 2 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.673 -2.648 18049
820 1 2 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.278 -2.736 18049
821 1 2 . 1 1 99 99 LYS N N 99 121.497 121.497 119.807 1.690 18049
822 1 2 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.584 -0.219 18049
823 1 2 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.434 -2.775 18049
824 1 2 . 1 1 99 99 LYS CB C 99 31.973 31.973 34.310 -2.337 18049
825 1 2 . 1 1 99 99 LYS H H 99 8.241 8.241 8.143 0.098 18049
826 1 2 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.733 -0.466 18049
827 1 2 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.111 -1.708 18049
828 1 2 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.847 -3.390 18049
829 1 2 . 1 1 103 103 PHE N N 103 118.755 118.755 120.170 -1.415 18049
830 1 2 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.065 -2.006 18049
831 1 2 . 1 1 103 103 PHE H H 103 8.675 8.675 8.543 0.132 18049
832 1 2 . 1 1 105 105 THR HA H 105 4.630 4.630 3.657 0.973 18049
833 1 2 . 1 1 105 105 THR CA C 105 59.356 59.356 62.678 -3.321 18049
834 1 2 . 1 1 105 105 THR CB C 105 67.299 67.299 67.889 -0.590 18049
835 1 2 . 1 1 106 106 ILE N N 106 124.035 124.035 121.833 2.202 18049
836 1 2 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.174 0.457 18049
837 1 2 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.290 -2.560 18049
838 1 2 . 1 1 106 106 ILE CB C 106 36.907 36.907 39.688 -2.781 18049
839 1 2 . 1 1 106 106 ILE H H 106 7.833 7.833 7.243 0.590 18049
840 1 2 . 1 1 107 107 TYR N N 107 118.339 118.339 122.144 -3.805 18049
841 1 2 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.913 -0.373 18049
842 1 2 . 1 1 107 107 TYR CA C 107 55.828 55.828 55.122 0.706 18049
843 1 2 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.015 -2.775 18049
844 1 2 . 1 1 107 107 TYR H H 107 8.925 8.925 7.449 1.476 18049
845 1 2 . 1 1 108 108 CYS N N 108 130.380 130.380 121.253 9.127 18049
846 1 2 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.295 -0.175 18049
847 1 2 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.353 -1.403 18049
848 1 2 . 1 1 108 108 CYS CB C 108 27.900 27.900 30.521 -2.621 18049
849 1 2 . 1 1 108 108 CYS H H 108 8.335 8.335 8.447 -0.112 18049
850 1 2 . 1 1 109 109 TYR N N 109 126.618 126.618 125.464 1.154 18049
851 1 2 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.498 -0.098 18049
852 1 2 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.309 -4.039 18049
853 1 2 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.426 -3.926 18049
854 1 2 . 1 1 109 109 TYR H H 109 8.011 8.011 8.509 -0.498 18049
855 1 2 . 1 1 110 110 ASN N N 110 125.398 125.398 115.564 9.834 18049
856 1 2 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.828 -0.026 18049
857 1 2 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.233 -0.664 18049
858 1 2 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.755 -1.833 18049
859 1 2 . 1 1 110 110 ASN H H 110 9.284 9.284 8.414 0.870 18049
860 1 2 . 1 1 111 111 CYS N N 111 118.921 118.921 118.276 0.645 18049
861 1 2 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.689 0.221 18049
862 1 2 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.636 -3.650 18049
863 1 2 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.232 0.940 18049
864 1 2 . 1 1 111 111 CYS H H 111 9.171 9.171 8.245 0.926 18049
865 1 2 . 1 1 112 112 GLY N N 112 114.064 114.064 109.453 4.611 18049
866 1 2 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.438 -2.157 18049
867 1 2 . 1 1 112 112 GLY H H 112 7.840 7.840 8.035 -0.195 18049
868 1 2 . 1 1 113 113 GLY N N 113 112.541 112.541 108.237 4.304 18049
869 1 2 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.475 -3.282 18049
870 1 2 . 1 1 113 113 GLY H H 113 9.023 9.023 7.923 1.100 18049
871 1 2 . 1 1 114 114 LYS N N 114 119.130 119.130 119.981 -0.851 18049
872 1 2 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.561 -0.301 18049
873 1 2 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.443 -2.693 18049
874 1 2 . 1 1 114 114 LYS CB C 114 31.680 31.680 35.135 -3.455 18049
875 1 2 . 1 1 114 114 LYS H H 114 8.200 8.200 8.278 -0.078 18049
876 1 2 . 1 1 115 115 GLY N N 115 108.864 108.864 109.553 -0.689 18049
877 1 2 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.913 -2.840 18049
878 1 2 . 1 1 115 115 GLY H H 115 8.501 8.501 8.503 -0.002 18049
879 1 2 . 1 1 116 116 HIS N N 116 113.173 113.173 118.054 -4.881 18049
880 1 2 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.504 -0.073 18049
881 1 2 . 1 1 116 116 HIS CA C 116 52.400 52.400 55.090 -2.691 18049
882 1 2 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.762 -2.232 18049
883 1 2 . 1 1 116 116 HIS H H 116 6.665 6.665 7.571 -0.906 18049
884 1 2 . 1 1 117 117 PHE N N 117 116.353 116.353 115.803 0.550 18049
885 1 2 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.442 0.238 18049
886 1 2 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.843 -2.759 18049
887 1 2 . 1 1 117 117 PHE CB C 117 38.264 38.264 37.199 1.065 18049
888 1 2 . 1 1 117 117 PHE H H 117 8.529 8.529 8.267 0.262 18049
889 1 2 . 1 1 118 118 GLY N N 118 108.977 108.977 109.991 -1.014 18049
890 1 2 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.586 -1.225 18049
891 1 2 . 1 1 118 118 GLY H H 118 8.870 8.870 7.786 1.084 18049
892 1 2 . 1 1 119 119 ASP N N 119 117.997 117.997 119.417 -1.420 18049
893 1 2 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.354 -0.010 18049
894 1 2 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.621 -3.117 18049
895 1 2 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.032 -3.222 18049
896 1 2 . 1 1 119 119 ASP H H 119 7.892 7.892 7.963 -0.071 18049
897 1 2 . 1 1 120 120 ASP N N 120 116.782 116.782 116.870 -0.088 18049
898 1 2 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.764 0.091 18049
899 1 2 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.884 -4.199 18049
900 1 2 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.406 -2.207 18049
901 1 2 . 1 1 120 120 ASP H H 120 7.730 7.730 7.877 -0.147 18049
902 1 2 . 1 1 121 121 CYS N N 121 125.836 125.836 121.650 4.186 18049
903 1 2 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.535 0.245 18049
904 1 2 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.275 -3.208 18049
905 1 2 . 1 1 121 121 CYS CB C 121 28.200 28.200 25.282 2.918 18049
906 1 2 . 1 1 121 121 CYS H H 121 7.667 7.667 8.171 -0.504 18049
907 1 3 . 1 1 3 3 ALA N N 3 125.353 125.353 124.766 0.587 18049
908 1 3 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.527 -0.332 18049
909 1 3 . 1 1 3 3 ALA CA C 3 49.578 49.578 52.129 -2.551 18049
910 1 3 . 1 1 3 3 ALA CB C 3 16.811 16.811 19.017 -2.206 18049
911 1 3 . 1 1 3 3 ALA H H 3 8.182 8.182 8.653 -0.471 18049
912 1 3 . 1 1 4 4 ALA N N 4 124.707 124.707 129.288 -4.581 18049
913 1 3 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.361 0.099 18049
914 1 3 . 1 1 4 4 ALA CA C 4 47.760 47.760 52.968 -5.208 18049
915 1 3 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.013 -1.215 18049
916 1 3 . 1 1 4 4 ALA H H 4 8.151 8.151 8.941 -0.790 18049
917 1 3 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.346 0.124 18049
918 1 3 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.154 -3.834 18049
919 1 3 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.653 -1.853 18049
920 1 3 . 1 1 6 6 LYS N N 6 121.400 121.400 117.233 4.167 18049
921 1 3 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.866 0.397 18049
922 1 3 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.216 -4.586 18049
923 1 3 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.201 0.799 18049
924 1 3 . 1 1 6 6 LYS H H 6 8.230 8.230 7.824 0.406 18049
925 1 3 . 1 1 7 7 CYS N N 7 128.995 128.995 118.347 10.648 18049
926 1 3 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.153 -0.039 18049
927 1 3 . 1 1 7 7 CYS CA C 7 57.020 57.020 60.909 -3.889 18049
928 1 3 . 1 1 7 7 CYS CB C 7 27.720 27.720 27.805 -0.085 18049
929 1 3 . 1 1 7 7 CYS H H 7 8.354 8.354 8.043 0.311 18049
930 1 3 . 1 1 8 8 ASN N N 8 127.325 127.325 123.277 4.048 18049
931 1 3 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.518 0.187 18049
932 1 3 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.609 -3.699 18049
933 1 3 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.072 -3.142 18049
934 1 3 . 1 1 8 8 ASN H H 8 8.659 8.659 8.799 -0.140 18049
935 1 3 . 1 1 9 9 ASN N N 9 122.394 122.394 116.143 6.251 18049
936 1 3 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.769 0.031 18049
937 1 3 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.958 -0.646 18049
938 1 3 . 1 1 9 9 ASN CB C 9 37.875 37.875 40.109 -2.234 18049
939 1 3 . 1 1 9 9 ASN H H 9 9.861 9.861 8.121 1.740 18049
940 1 3 . 1 1 10 10 CYS N N 10 117.508 117.508 118.451 -0.943 18049
941 1 3 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.711 -0.006 18049
942 1 3 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.005 -1.655 18049
943 1 3 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.903 0.637 18049
944 1 3 . 1 1 10 10 CYS H H 10 8.814 8.814 8.229 0.585 18049
945 1 3 . 1 1 11 11 SER N N 11 115.934 115.934 114.915 1.019 18049
946 1 3 . 1 1 11 11 SER HA H 11 4.150 4.150 4.001 0.149 18049
947 1 3 . 1 1 11 11 SER CA C 11 58.769 58.769 58.962 -0.193 18049
948 1 3 . 1 1 11 11 SER CB C 11 59.635 59.635 62.004 -2.369 18049
949 1 3 . 1 1 11 11 SER H H 11 7.821 7.821 8.413 -0.592 18049
950 1 3 . 1 1 12 12 GLN N N 12 120.325 120.325 118.020 2.305 18049
951 1 3 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.568 -0.207 18049
952 1 3 . 1 1 12 12 GLN CA C 12 52.870 52.870 54.086 -1.216 18049
953 1 3 . 1 1 12 12 GLN CB C 12 27.913 27.913 32.747 -4.834 18049
954 1 3 . 1 1 12 12 GLN H H 12 8.311 8.311 7.978 0.333 18049
955 1 3 . 1 1 13 13 ARG N N 13 118.657 118.657 119.671 -1.014 18049
956 1 3 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.434 -0.066 18049
957 1 3 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.134 -3.104 18049
958 1 3 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.968 1.331 18049
959 1 3 . 1 1 13 13 ARG H H 13 8.430 8.430 8.855 -0.425 18049
960 1 3 . 1 1 14 14 GLY N N 14 107.015 107.015 112.821 -5.806 18049
961 1 3 . 1 1 14 14 GLY CA C 14 42.730 42.730 46.047 -3.317 18049
962 1 3 . 1 1 14 14 GLY H H 14 8.706 8.706 8.863 -0.157 18049
963 1 3 . 1 1 15 15 HIS N N 15 113.397 113.397 118.302 -4.905 18049
964 1 3 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.824 -0.224 18049
965 1 3 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.773 -1.337 18049
966 1 3 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.944 -1.057 18049
967 1 3 . 1 1 15 15 HIS H H 15 6.998 6.998 8.066 -1.068 18049
968 1 3 . 1 1 16 16 LEU N N 16 117.239 117.239 117.571 -0.332 18049
969 1 3 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.328 0.257 18049
970 1 3 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.549 -4.020 18049
971 1 3 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.166 0.029 18049
972 1 3 . 1 1 16 16 LEU H H 16 8.614 8.614 7.785 0.829 18049
973 1 3 . 1 1 17 17 LYS N N 17 122.561 122.561 120.864 1.697 18049
974 1 3 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.870 0.910 18049
975 1 3 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.558 -1.794 18049
976 1 3 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.993 -2.192 18049
977 1 3 . 1 1 17 17 LYS H H 17 8.681 8.681 8.325 0.356 18049
978 1 3 . 1 1 18 18 LYS N N 18 117.626 117.626 115.602 2.024 18049
979 1 3 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.217 -0.113 18049
980 1 3 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.412 -2.593 18049
981 1 3 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.179 -3.424 18049
982 1 3 . 1 1 18 18 LYS H H 18 8.320 8.320 8.212 0.108 18049
983 1 3 . 1 1 19 19 ASP N N 19 118.071 118.071 119.264 -1.193 18049
984 1 3 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.762 0.088 18049
985 1 3 . 1 1 19 19 ASP CA C 19 50.832 50.832 54.766 -3.933 18049
986 1 3 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.410 -1.510 18049
987 1 3 . 1 1 19 19 ASP H H 19 7.770 7.770 8.262 -0.492 18049
988 1 3 . 1 1 20 20 CYS N N 20 123.265 123.265 119.185 4.080 18049
989 1 3 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.580 -0.878 18049
990 1 3 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.250 -0.694 18049
991 1 3 . 1 1 20 20 CYS CB C 20 28.496 28.496 26.199 2.297 18049
992 1 3 . 1 1 20 20 CYS H H 20 7.275 7.275 7.901 -0.626 18049
993 1 3 . 1 1 21 21 PRO CA C 21 58.900 58.900 62.893 -3.993 18049
994 1 3 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.895 -1.175 18049
995 1 3 . 1 1 22 22 HIS N N 22 121.576 121.576 116.462 5.114 18049
996 1 3 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.756 -3.272 18049
997 1 3 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.278 -2.445 18049
998 1 3 . 1 1 22 22 HIS H H 22 7.882 7.882 8.139 -0.257 18049
999 1 3 . 1 1 23 23 ILE N N 23 117.100 117.100 118.307 -1.207 18049
1000 1 3 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.434 -0.264 18049
1001 1 3 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.211 -2.791 18049
1002 1 3 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.725 -1.745 18049
1003 1 3 . 1 1 23 23 ILE H H 23 8.660 8.660 8.545 0.115 18049
1004 1 3 . 1 1 24 24 ILE N N 24 126.524 126.524 117.016 9.508 18049
1005 1 3 . 1 1 24 24 ILE HA H 24 3.950 3.950 2.902 1.048 18049
1006 1 3 . 1 1 24 24 ILE CA C 24 56.690 56.690 61.360 -4.670 18049
1007 1 3 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.753 -0.577 18049
1008 1 3 . 1 1 24 24 ILE H H 24 8.486 8.486 7.278 1.208 18049
1009 1 3 . 1 1 25 25 CYS CA C 25 56.014 56.014 60.578 -4.564 18049
1010 1 3 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.500 -1.227 18049
1011 1 3 . 1 1 26 26 SER N N 26 127.811 127.811 111.981 15.830 18049
1012 1 3 . 1 1 26 26 SER HA H 26 4.050 4.050 4.569 -0.519 18049
1013 1 3 . 1 1 26 26 SER CA C 26 58.170 58.170 59.043 -0.873 18049
1014 1 3 . 1 1 26 26 SER CB C 26 60.523 60.523 64.527 -4.004 18049
1015 1 3 . 1 1 26 26 SER H H 26 9.491 9.491 8.439 1.052 18049
1016 1 3 . 1 1 27 27 TYR N N 27 124.378 124.378 123.814 0.564 18049
1017 1 3 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.744 -0.219 18049
1018 1 3 . 1 1 27 27 TYR CA C 27 57.890 57.890 57.749 0.140 18049
1019 1 3 . 1 1 27 27 TYR CB C 27 37.093 37.093 39.052 -1.959 18049
1020 1 3 . 1 1 27 27 TYR H H 27 9.389 9.389 8.105 1.284 18049
1021 1 3 . 1 1 28 28 CYS N N 28 126.900 126.900 117.061 9.839 18049
1022 1 3 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.941 -2.020 18049
1023 1 3 . 1 1 28 28 CYS CB C 28 30.198 30.198 30.993 -0.795 18049
1024 1 3 . 1 1 28 28 CYS H H 28 8.490 8.490 7.805 0.685 18049
1025 1 3 . 1 1 29 29 GLY N N 29 113.271 113.271 108.751 4.520 18049
1026 1 3 . 1 1 29 29 GLY CA C 29 43.348 43.348 45.404 -2.055 18049
1027 1 3 . 1 1 29 29 GLY H H 29 7.792 7.792 8.396 -0.604 18049
1028 1 3 . 1 1 30 30 ALA N N 30 124.805 124.805 121.047 3.758 18049
1029 1 3 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.663 -0.544 18049
1030 1 3 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.702 0.438 18049
1031 1 3 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.991 -3.271 18049
1032 1 3 . 1 1 30 30 ALA H H 30 8.541 8.541 7.993 0.548 18049
1033 1 3 . 1 1 31 31 THR N N 31 118.352 118.352 114.510 3.842 18049
1034 1 3 . 1 1 31 31 THR CA C 31 58.082 58.082 65.390 -7.308 18049
1035 1 3 . 1 1 31 31 THR CB C 31 67.072 67.072 68.781 -1.709 18049
1036 1 3 . 1 1 31 31 THR H H 31 8.544 8.544 8.676 -0.132 18049
1037 1 3 . 1 1 32 32 ASP N N 32 123.222 123.222 116.739 6.483 18049
1038 1 3 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.452 -0.409 18049
1039 1 3 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.444 -1.295 18049
1040 1 3 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.350 -4.904 18049
1041 1 3 . 1 1 32 32 ASP H H 32 9.768 9.768 8.138 1.630 18049
1042 1 3 . 1 1 33 33 ASP N N 33 116.889 116.889 118.211 -1.322 18049
1043 1 3 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.125 -0.805 18049
1044 1 3 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.506 1.684 18049
1045 1 3 . 1 1 33 33 ASP H H 33 8.111 8.111 7.749 0.362 18049
1046 1 3 . 1 1 34 34 HIS N N 34 110.849 110.849 123.821 -12.972 18049
1047 1 3 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.292 -3.102 18049
1048 1 3 . 1 1 34 34 HIS CB C 34 37.770 37.770 32.411 5.359 18049
1049 1 3 . 1 1 34 34 HIS H H 34 6.959 6.959 8.293 -1.334 18049
1050 1 3 . 1 1 35 35 TYR N N 35 117.529 117.529 122.710 -5.181 18049
1051 1 3 . 1 1 35 35 TYR CA C 35 54.137 54.137 57.003 -2.866 18049
1052 1 3 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.438 -3.871 18049
1053 1 3 . 1 1 35 35 TYR H H 35 8.813 8.813 7.842 0.971 18049
1054 1 3 . 1 1 36 36 SER N N 36 121.984 121.984 116.873 5.111 18049
1055 1 3 . 1 1 36 36 SER CA C 36 57.520 57.520 59.909 -2.389 18049
1056 1 3 . 1 1 36 36 SER CB C 36 59.800 59.800 62.780 -2.980 18049
1057 1 3 . 1 1 36 36 SER H H 36 8.518 8.518 7.282 1.236 18049
1058 1 3 . 1 1 37 37 ARG N N 37 119.707 119.707 117.688 2.019 18049
1059 1 3 . 1 1 37 37 ARG CA C 37 51.671 51.671 56.362 -4.691 18049
1060 1 3 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.726 -3.633 18049
1061 1 3 . 1 1 37 37 ARG H H 37 7.963 7.963 7.395 0.568 18049
1062 1 3 . 1 1 38 38 HIS N N 38 125.394 125.394 116.196 9.198 18049
1063 1 3 . 1 1 38 38 HIS CA C 38 56.276 56.276 53.958 2.318 18049
1064 1 3 . 1 1 38 38 HIS H H 38 7.443 7.443 7.788 -0.345 18049
1065 1 3 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.250 0.200 18049
1066 1 3 . 1 1 39 39 CYS CA C 39 51.680 51.680 65.207 -13.527 18049
1067 1 3 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.211 2.029 18049
1068 1 3 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.662 -0.352 18049
1069 1 3 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.089 -2.649 18049
1070 1 3 . 1 1 40 40 PRO CB C 40 30.300 30.300 30.679 -0.379 18049
1071 1 3 . 1 1 41 41 LYS N N 41 121.400 121.400 122.201 -0.801 18049
1072 1 3 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.212 -0.133 18049
1073 1 3 . 1 1 41 41 LYS CA C 41 53.680 53.680 58.568 -4.888 18049
1074 1 3 . 1 1 41 41 LYS CB C 41 29.641 29.641 32.354 -2.713 18049
1075 1 3 . 1 1 41 41 LYS H H 41 8.650 8.650 7.975 0.675 18049
1076 1 3 . 1 1 42 42 ALA N N 42 122.096 122.096 118.410 3.686 18049
1077 1 3 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.536 -1.017 18049
1078 1 3 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.773 -3.182 18049
1079 1 3 . 1 1 42 42 ALA CB C 42 16.456 16.456 19.525 -3.069 18049
1080 1 3 . 1 1 42 42 ALA H H 42 7.201 7.201 8.543 -1.342 18049
1081 1 3 . 1 1 43 43 ILE N N 43 119.646 119.646 120.109 -0.463 18049
1082 1 3 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.185 -0.454 18049
1083 1 3 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.039 -2.073 18049
1084 1 3 . 1 1 43 43 ILE CB C 43 35.977 35.977 39.126 -3.149 18049
1085 1 3 . 1 1 43 43 ILE H H 43 7.086 7.086 7.864 -0.778 18049
1086 1 3 . 1 1 44 44 GLN N N 44 125.541 125.541 122.630 2.911 18049
1087 1 3 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.012 0.420 18049
1088 1 3 . 1 1 44 44 GLN CA C 44 51.736 51.736 57.167 -5.431 18049
1089 1 3 . 1 1 44 44 GLN CB C 44 28.084 28.084 28.069 0.015 18049
1090 1 3 . 1 1 44 44 GLN H H 44 7.980 7.980 8.610 -0.630 18049
1091 1 3 . 1 1 45 45 CYS N N 45 130.678 130.678 118.041 12.637 18049
1092 1 3 . 1 1 45 45 CYS HA H 45 4.120 4.120 5.175 -1.055 18049
1093 1 3 . 1 1 45 45 CYS CA C 45 57.330 57.330 57.150 0.180 18049
1094 1 3 . 1 1 45 45 CYS CB C 45 28.000 28.000 31.415 -3.415 18049
1095 1 3 . 1 1 45 45 CYS H H 45 8.353 8.353 8.265 0.088 18049
1096 1 3 . 1 1 46 46 SER N N 46 124.273 124.273 118.122 6.151 18049
1097 1 3 . 1 1 46 46 SER HA H 46 4.334 4.334 4.191 0.143 18049
1098 1 3 . 1 1 46 46 SER CA C 46 56.923 56.923 61.211 -4.288 18049
1099 1 3 . 1 1 46 46 SER CB C 46 60.400 60.400 63.258 -2.858 18049
1100 1 3 . 1 1 46 46 SER H H 46 8.466 8.466 9.065 -0.599 18049
1101 1 3 . 1 1 47 47 LYS N N 47 127.929 127.929 120.309 7.620 18049
1102 1 3 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.324 0.036 18049
1103 1 3 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.989 -1.669 18049
1104 1 3 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.858 -1.558 18049
1105 1 3 . 1 1 47 47 LYS H H 47 9.720 9.720 8.370 1.350 18049
1106 1 3 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.795 -0.205 18049
1107 1 3 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.544 -6.044 18049
1108 1 3 . 1 1 48 48 CYS CB C 48 28.100 28.100 27.562 0.537 18049
1109 1 3 . 1 1 48 48 CYS H H 48 8.600 8.600 8.173 0.427 18049
1110 1 3 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.442 0.268 18049
1111 1 3 . 1 1 49 49 ASP CA C 49 54.300 54.300 56.190 -1.890 18049
1112 1 3 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.056 1.144 18049
1113 1 3 . 1 1 49 49 ASP H H 49 8.830 8.830 7.716 1.114 18049
1114 1 3 . 1 1 50 50 GLU N N 50 118.700 118.700 119.279 -0.579 18049
1115 1 3 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.028 0.267 18049
1116 1 3 . 1 1 50 50 GLU CA C 50 54.340 54.340 58.559 -4.219 18049
1117 1 3 . 1 1 50 50 GLU CB C 50 28.500 28.500 28.700 -0.200 18049
1118 1 3 . 1 1 50 50 GLU H H 50 8.226 8.226 8.700 -0.474 18049
1119 1 3 . 1 1 51 51 VAL N N 51 118.593 118.593 114.042 4.551 18049
1120 1 3 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.214 0.059 18049
1121 1 3 . 1 1 51 51 VAL CA C 51 59.380 59.380 61.914 -2.534 18049
1122 1 3 . 1 1 51 51 VAL CB C 51 30.250 30.250 33.114 -2.864 18049
1123 1 3 . 1 1 51 51 VAL H H 51 8.216 8.216 7.752 0.464 18049
1124 1 3 . 1 1 52 52 GLY N N 52 110.908 110.908 108.238 2.670 18049
1125 1 3 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.068 -2.378 18049
1126 1 3 . 1 1 52 52 GLY H H 52 8.630 8.630 7.381 1.249 18049
1127 1 3 . 1 1 53 53 HIS N N 53 113.633 113.633 119.338 -5.705 18049
1128 1 3 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.609 -0.019 18049
1129 1 3 . 1 1 53 53 HIS CA C 53 52.450 52.450 55.272 -2.822 18049
1130 1 3 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.063 -1.023 18049
1131 1 3 . 1 1 53 53 HIS H H 53 6.855 6.855 8.393 -1.538 18049
1132 1 3 . 1 1 54 54 TYR N N 54 115.154 115.154 121.258 -6.104 18049
1133 1 3 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.358 -0.188 18049
1134 1 3 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.382 -3.582 18049
1135 1 3 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.148 -3.519 18049
1136 1 3 . 1 1 54 54 TYR H H 54 8.054 8.054 7.830 0.224 18049
1137 1 3 . 1 1 55 55 ARG N N 55 126.509 126.509 123.198 3.311 18049
1138 1 3 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.797 -0.198 18049
1139 1 3 . 1 1 55 55 ARG CA C 55 55.823 55.823 58.532 -2.709 18049
1140 1 3 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.370 -3.149 18049
1141 1 3 . 1 1 55 55 ARG H H 55 8.490 8.490 7.829 0.661 18049
1142 1 3 . 1 1 56 56 SER N N 56 116.450 116.450 111.728 4.722 18049
1143 1 3 . 1 1 56 56 SER CA C 56 56.523 56.523 58.480 -1.957 18049
1144 1 3 . 1 1 56 56 SER CB C 56 62.261 62.261 63.538 -1.277 18049
1145 1 3 . 1 1 56 56 SER H H 56 8.247 8.247 7.458 0.789 18049
1146 1 3 . 1 1 57 57 GLN N N 57 124.678 124.678 118.944 5.734 18049
1147 1 3 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.510 -0.336 18049
1148 1 3 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.650 -3.040 18049
1149 1 3 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.944 -4.884 18049
1150 1 3 . 1 1 57 57 GLN H H 57 8.702 8.702 8.092 0.610 18049
1151 1 3 . 1 1 58 58 CYS N N 58 126.577 126.577 119.556 7.021 18049
1152 1 3 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.952 -0.536 18049
1153 1 3 . 1 1 58 58 CYS CA C 58 55.001 55.001 57.249 -2.248 18049
1154 1 3 . 1 1 58 58 CYS CB C 58 31.080 31.080 29.674 1.406 18049
1155 1 3 . 1 1 58 58 CYS H H 58 7.694 7.694 8.293 -0.599 18049
1156 1 3 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.953 2.838 18049
1157 1 3 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.788 -3.377 18049
1158 1 3 . 1 1 63 63 LYS N N 63 121.641 121.641 120.635 1.006 18049
1159 1 3 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.054 -3.682 18049
1160 1 3 . 1 1 63 63 LYS CB C 63 27.792 27.792 33.357 -5.565 18049
1161 1 3 . 1 1 63 63 LYS H H 63 8.033 8.033 7.716 0.317 18049
1162 1 3 . 1 1 64 64 LYS N N 64 111.775 111.775 123.383 -11.608 18049
1163 1 3 . 1 1 64 64 LYS CA C 64 53.743 53.743 57.734 -3.991 18049
1164 1 3 . 1 1 64 64 LYS H H 64 8.104 8.104 8.662 -0.558 18049
1165 1 3 . 1 1 65 65 VAL N N 65 122.037 122.037 118.003 4.034 18049
1166 1 3 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.296 -0.256 18049
1167 1 3 . 1 1 65 65 VAL CA C 65 59.290 59.290 60.789 -1.499 18049
1168 1 3 . 1 1 65 65 VAL CB C 65 29.411 29.411 34.503 -5.092 18049
1169 1 3 . 1 1 65 65 VAL H H 65 8.306 8.306 7.414 0.892 18049
1170 1 3 . 1 1 66 66 GLN N N 66 121.994 121.994 127.344 -5.350 18049
1171 1 3 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.218 -3.615 18049
1172 1 3 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.765 1.535 18049
1173 1 3 . 1 1 66 66 GLN H H 66 8.360 8.360 8.981 -0.621 18049
1174 1 3 . 1 1 67 67 CYS N N 67 121.582 121.582 117.477 4.105 18049
1175 1 3 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.621 -0.582 18049
1176 1 3 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.000 0.215 18049
1177 1 3 . 1 1 67 67 CYS CB C 67 30.532 30.532 29.503 1.029 18049
1178 1 3 . 1 1 67 67 CYS H H 67 8.032 8.032 8.399 -0.367 18049
1179 1 3 . 1 1 68 68 THR HA H 68 4.046 4.046 4.402 -0.356 18049
1180 1 3 . 1 1 68 68 THR CA C 68 61.228 61.228 63.386 -2.158 18049
1181 1 3 . 1 1 68 68 THR CB C 68 65.371 65.371 69.091 -3.720 18049
1182 1 3 . 1 1 69 69 LEU N N 69 124.335 124.335 122.085 2.250 18049
1183 1 3 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.274 0.108 18049
1184 1 3 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.062 -1.633 18049
1185 1 3 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.264 -2.474 18049
1186 1 3 . 1 1 69 69 LEU H H 69 9.024 9.024 8.144 0.880 18049
1187 1 3 . 1 1 70 70 CYS N N 70 118.876 118.876 117.922 0.954 18049
1188 1 3 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.691 -0.355 18049
1189 1 3 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.471 -4.326 18049
1190 1 3 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.687 0.176 18049
1191 1 3 . 1 1 70 70 CYS H H 70 8.716 8.716 7.763 0.953 18049
1192 1 3 . 1 1 71 71 LYS N N 71 122.961 122.961 121.608 1.353 18049
1193 1 3 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.373 -0.206 18049
1194 1 3 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.930 -2.095 18049
1195 1 3 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.310 0.210 18049
1196 1 3 . 1 1 71 71 LYS H H 71 8.505 8.505 8.366 0.139 18049
1197 1 3 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.754 -1.516 18049
1198 1 3 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.033 -1.790 18049
1199 1 3 . 1 1 75 75 HIS N N 75 111.915 111.915 120.366 -8.451 18049
1200 1 3 . 1 1 75 75 HIS HA H 75 4.460 4.460 5.267 -0.807 18049
1201 1 3 . 1 1 75 75 HIS CA C 75 52.255 52.255 54.717 -2.462 18049
1202 1 3 . 1 1 75 75 HIS CB C 75 28.700 28.700 32.718 -4.018 18049
1203 1 3 . 1 1 75 75 HIS H H 75 6.732 6.732 8.349 -1.617 18049
1204 1 3 . 1 1 78 78 GLU N N 78 118.980 118.980 116.683 2.297 18049
1205 1 3 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.340 -0.330 18049
1206 1 3 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.417 -0.937 18049
1207 1 3 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.959 4.391 18049
1208 1 3 . 1 1 78 78 GLU H H 78 8.831 8.831 8.418 0.413 18049
1209 1 3 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.203 0.077 18049
1210 1 3 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.348 -2.836 18049
1211 1 3 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.768 -2.254 18049
1212 1 3 . 1 1 82 82 SER N N 82 116.172 116.172 114.877 1.295 18049
1213 1 3 . 1 1 82 82 SER HA H 82 4.105 4.105 4.482 -0.377 18049
1214 1 3 . 1 1 82 82 SER CA C 82 58.317 58.317 58.426 -0.109 18049
1215 1 3 . 1 1 82 82 SER CB C 82 60.104 60.104 64.367 -4.263 18049
1216 1 3 . 1 1 82 82 SER H H 82 8.684 8.684 7.901 0.783 18049
1217 1 3 . 1 1 83 83 ILE N N 83 118.847 118.847 120.076 -1.229 18049
1218 1 3 . 1 1 83 83 ILE CA C 83 59.168 59.168 59.296 -0.128 18049
1219 1 3 . 1 1 83 83 ILE CB C 83 38.482 38.482 41.594 -3.112 18049
1220 1 3 . 1 1 83 83 ILE H H 83 7.424 7.424 8.134 -0.710 18049
1221 1 3 . 1 1 84 84 TRP N N 84 115.140 115.140 127.871 -12.731 18049
1222 1 3 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.316 -3.723 18049
1223 1 3 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.774 -3.906 18049
1224 1 3 . 1 1 84 84 TRP H H 84 8.131 8.131 8.565 -0.434 18049
1225 1 3 . 1 1 85 85 ARG N N 85 118.936 118.936 125.625 -6.689 18049
1226 1 3 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.551 -4.333 18049
1227 1 3 . 1 1 85 85 ARG CB C 85 29.330 29.330 31.199 -1.869 18049
1228 1 3 . 1 1 85 85 ARG H H 85 7.884 7.884 7.948 -0.064 18049
1229 1 3 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.395 -0.425 18049
1230 1 3 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.623 -1.603 18049
1231 1 3 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.497 -3.097 18049
1232 1 3 . 1 1 87 87 TYR N N 87 117.965 117.965 120.095 -2.130 18049
1233 1 3 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.882 -0.426 18049
1234 1 3 . 1 1 87 87 TYR CA C 87 54.928 54.928 56.636 -1.708 18049
1235 1 3 . 1 1 87 87 TYR CB C 87 40.012 40.012 41.787 -1.775 18049
1236 1 3 . 1 1 87 87 TYR H H 87 7.733 7.733 8.223 -0.490 18049
1237 1 3 . 1 1 89 89 LEU CA C 89 55.641 55.641 55.724 -0.083 18049
1238 1 3 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.214 -5.415 18049
1239 1 3 . 1 1 90 90 VAL N N 90 118.969 118.969 117.711 1.258 18049
1240 1 3 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.880 -3.770 18049
1241 1 3 . 1 1 90 90 VAL CB C 90 30.127 30.127 31.016 -0.889 18049
1242 1 3 . 1 1 90 90 VAL H H 90 8.944 8.944 7.931 1.013 18049
1243 1 3 . 1 1 91 91 ASP N N 91 127.947 127.947 116.828 11.119 18049
1244 1 3 . 1 1 91 91 ASP CA C 91 49.968 49.968 55.125 -5.157 18049
1245 1 3 . 1 1 91 91 ASP CB C 91 38.862 38.862 39.786 -0.924 18049
1246 1 3 . 1 1 91 91 ASP H H 91 8.320 8.320 8.386 -0.066 18049
1247 1 3 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.565 -2.547 18049
1248 1 3 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.963 -3.516 18049
1249 1 3 . 1 1 93 93 ASN N N 93 118.727 118.727 120.438 -1.711 18049
1250 1 3 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.947 -1.794 18049
1251 1 3 . 1 1 93 93 ASN CB C 93 36.371 36.371 40.241 -3.870 18049
1252 1 3 . 1 1 93 93 ASN H H 93 8.396 8.396 8.364 0.032 18049
1253 1 3 . 1 1 94 94 GLU N N 94 120.824 120.824 125.059 -4.235 18049
1254 1 3 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.368 -2.979 18049
1255 1 3 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.198 -2.928 18049
1256 1 3 . 1 1 94 94 GLU H H 94 8.266 8.266 8.746 -0.480 18049
1257 1 3 . 1 1 95 95 LYS N N 95 121.079 121.079 118.606 2.473 18049
1258 1 3 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.577 -0.421 18049
1259 1 3 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.656 -1.815 18049
1260 1 3 . 1 1 95 95 LYS CB C 95 30.173 30.173 34.080 -3.907 18049
1261 1 3 . 1 1 95 95 LYS H H 95 8.055 8.055 8.028 0.027 18049
1262 1 3 . 1 1 96 96 ALA N N 96 124.103 124.103 124.258 -0.155 18049
1263 1 3 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.556 -0.354 18049
1264 1 3 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.476 -1.749 18049
1265 1 3 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.993 -3.241 18049
1266 1 3 . 1 1 96 96 ALA H H 96 8.053 8.053 8.341 -0.288 18049
1267 1 3 . 1 1 97 97 LYS N N 97 121.893 121.893 121.254 0.639 18049
1268 1 3 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.553 0.332 18049
1269 1 3 . 1 1 97 97 LYS CA C 97 51.459 51.459 55.274 -3.815 18049
1270 1 3 . 1 1 97 97 LYS H H 97 8.091 8.091 8.607 -0.516 18049
1271 1 3 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.298 0.138 18049
1272 1 3 . 1 1 98 98 PRO CA C 98 60.025 60.025 64.293 -4.268 18049
1273 1 3 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.087 -2.546 18049
1274 1 3 . 1 1 99 99 LYS N N 99 121.497 121.497 115.126 6.371 18049
1275 1 3 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.488 -0.123 18049
1276 1 3 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.124 -2.465 18049
1277 1 3 . 1 1 99 99 LYS CB C 99 31.973 31.973 35.185 -3.212 18049
1278 1 3 . 1 1 99 99 LYS H H 99 8.241 8.241 7.525 0.716 18049
1279 1 3 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.452 -0.185 18049
1280 1 3 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.287 -1.884 18049
1281 1 3 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.435 -2.978 18049
1282 1 3 . 1 1 103 103 PHE N N 103 118.755 118.755 116.055 2.700 18049
1283 1 3 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.861 -2.802 18049
1284 1 3 . 1 1 103 103 PHE H H 103 8.675 8.675 8.496 0.179 18049
1285 1 3 . 1 1 105 105 THR HA H 105 4.630 4.630 4.250 0.380 18049
1286 1 3 . 1 1 105 105 THR CA C 105 59.356 59.356 64.360 -5.004 18049
1287 1 3 . 1 1 105 105 THR CB C 105 67.299 67.299 68.275 -0.976 18049
1288 1 3 . 1 1 106 106 ILE N N 106 124.035 124.035 114.828 9.207 18049
1289 1 3 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.318 0.313 18049
1290 1 3 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.220 -2.490 18049
1291 1 3 . 1 1 106 106 ILE CB C 106 36.907 36.907 37.730 -0.823 18049
1292 1 3 . 1 1 106 106 ILE H H 106 7.833 7.833 7.516 0.317 18049
1293 1 3 . 1 1 107 107 TYR N N 107 118.339 118.339 119.803 -1.464 18049
1294 1 3 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.908 -0.368 18049
1295 1 3 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.996 -1.168 18049
1296 1 3 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.731 -3.491 18049
1297 1 3 . 1 1 107 107 TYR H H 107 8.925 8.925 7.445 1.480 18049
1298 1 3 . 1 1 108 108 CYS N N 108 130.380 130.380 120.326 10.054 18049
1299 1 3 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.404 -0.284 18049
1300 1 3 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.234 -2.284 18049
1301 1 3 . 1 1 108 108 CYS CB C 108 27.900 27.900 29.501 -1.601 18049
1302 1 3 . 1 1 108 108 CYS H H 108 8.335 8.335 8.779 -0.444 18049
1303 1 3 . 1 1 109 109 TYR N N 109 126.618 126.618 124.317 2.301 18049
1304 1 3 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.799 -0.399 18049
1305 1 3 . 1 1 109 109 TYR CA C 109 56.270 56.270 58.804 -2.534 18049
1306 1 3 . 1 1 109 109 TYR CB C 109 34.500 34.500 41.409 -6.909 18049
1307 1 3 . 1 1 109 109 TYR H H 109 8.011 8.011 9.677 -1.666 18049
1308 1 3 . 1 1 110 110 ASN N N 110 125.398 125.398 118.911 6.487 18049
1309 1 3 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.872 -0.070 18049
1310 1 3 . 1 1 110 110 ASN CA C 110 53.569 53.569 52.680 0.889 18049
1311 1 3 . 1 1 110 110 ASN CB C 110 37.922 37.922 40.312 -2.390 18049
1312 1 3 . 1 1 110 110 ASN H H 110 9.284 9.284 8.707 0.577 18049
1313 1 3 . 1 1 111 111 CYS N N 111 118.921 118.921 114.858 4.063 18049
1314 1 3 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.180 0.730 18049
1315 1 3 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.791 -3.805 18049
1316 1 3 . 1 1 111 111 CYS CB C 111 30.172 30.172 26.585 3.587 18049
1317 1 3 . 1 1 111 111 CYS H H 111 9.171 9.171 8.562 0.609 18049
1318 1 3 . 1 1 112 112 GLY N N 112 114.064 114.064 108.194 5.870 18049
1319 1 3 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.909 -1.628 18049
1320 1 3 . 1 1 112 112 GLY H H 112 7.840 7.840 7.979 -0.139 18049
1321 1 3 . 1 1 113 113 GLY N N 113 112.541 112.541 107.094 5.447 18049
1322 1 3 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.143 -2.950 18049
1323 1 3 . 1 1 113 113 GLY H H 113 9.023 9.023 8.478 0.545 18049
1324 1 3 . 1 1 114 114 LYS N N 114 119.130 119.130 121.828 -2.698 18049
1325 1 3 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.193 0.067 18049
1326 1 3 . 1 1 114 114 LYS CA C 114 52.750 52.750 58.104 -5.354 18049
1327 1 3 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.229 -0.549 18049
1328 1 3 . 1 1 114 114 LYS H H 114 8.200 8.200 8.686 -0.486 18049
1329 1 3 . 1 1 115 115 GLY N N 115 108.864 108.864 106.613 2.251 18049
1330 1 3 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.443 -2.370 18049
1331 1 3 . 1 1 115 115 GLY H H 115 8.501 8.501 8.369 0.132 18049
1332 1 3 . 1 1 116 116 HIS N N 116 113.173 113.173 120.682 -7.509 18049
1333 1 3 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.218 0.213 18049
1334 1 3 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.666 -2.266 18049
1335 1 3 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.959 -2.429 18049
1336 1 3 . 1 1 116 116 HIS H H 116 6.665 6.665 7.628 -0.963 18049
1337 1 3 . 1 1 117 117 PHE N N 117 116.353 116.353 118.265 -1.912 18049
1338 1 3 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.216 0.464 18049
1339 1 3 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.520 -4.436 18049
1340 1 3 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.538 1.726 18049
1341 1 3 . 1 1 117 117 PHE H H 117 8.529 8.529 8.213 0.316 18049
1342 1 3 . 1 1 118 118 GLY N N 118 108.977 108.977 106.355 2.622 18049
1343 1 3 . 1 1 118 118 GLY CA C 118 45.361 45.361 45.954 -0.593 18049
1344 1 3 . 1 1 118 118 GLY H H 118 8.870 8.870 8.539 0.331 18049
1345 1 3 . 1 1 119 119 ASP N N 119 117.997 117.997 119.923 -1.926 18049
1346 1 3 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.486 -0.142 18049
1347 1 3 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.198 -2.694 18049
1348 1 3 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.835 -3.025 18049
1349 1 3 . 1 1 119 119 ASP H H 119 7.892 7.892 8.008 -0.116 18049
1350 1 3 . 1 1 120 120 ASP N N 120 116.782 116.782 117.628 -0.846 18049
1351 1 3 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.777 0.078 18049
1352 1 3 . 1 1 120 120 ASP CA C 120 50.685 50.685 53.803 -3.118 18049
1353 1 3 . 1 1 120 120 ASP CB C 120 40.199 40.199 43.067 -2.868 18049
1354 1 3 . 1 1 120 120 ASP H H 120 7.730 7.730 8.160 -0.430 18049
1355 1 3 . 1 1 121 121 CYS N N 121 125.836 125.836 120.172 5.664 18049
1356 1 3 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.411 0.369 18049
1357 1 3 . 1 1 121 121 CYS CA C 121 56.067 56.067 60.963 -4.896 18049
1358 1 3 . 1 1 121 121 CYS CB C 121 28.200 28.200 28.391 -0.191 18049
1359 1 3 . 1 1 121 121 CYS H H 121 7.667 7.667 8.163 -0.496 18049
1360 1 4 . 1 1 3 3 ALA N N 3 125.353 125.353 122.030 3.323 18049
1361 1 4 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.860 -0.665 18049
1362 1 4 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.955 -2.377 18049
1363 1 4 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.996 -4.185 18049
1364 1 4 . 1 1 3 3 ALA H H 3 8.182 8.182 7.997 0.185 18049
1365 1 4 . 1 1 4 4 ALA N N 4 124.707 124.707 125.516 -0.809 18049
1366 1 4 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.252 0.208 18049
1367 1 4 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.097 -5.337 18049
1368 1 4 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.167 -1.369 18049
1369 1 4 . 1 1 4 4 ALA H H 4 8.151 8.151 8.705 -0.554 18049
1370 1 4 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.360 0.110 18049
1371 1 4 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.420 -4.101 18049
1372 1 4 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.736 -1.936 18049
1373 1 4 . 1 1 6 6 LYS N N 6 121.400 121.400 118.314 3.086 18049
1374 1 4 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.014 0.249 18049
1375 1 4 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.281 -5.651 18049
1376 1 4 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.826 0.174 18049
1377 1 4 . 1 1 6 6 LYS H H 6 8.230 8.230 8.714 -0.484 18049
1378 1 4 . 1 1 7 7 CYS N N 7 128.995 128.995 116.212 12.783 18049
1379 1 4 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.800 -0.686 18049
1380 1 4 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.342 -0.322 18049
1381 1 4 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.794 -3.074 18049
1382 1 4 . 1 1 7 7 CYS H H 7 8.354 8.354 8.316 0.038 18049
1383 1 4 . 1 1 8 8 ASN N N 8 127.325 127.325 121.900 5.425 18049
1384 1 4 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.549 0.156 18049
1385 1 4 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.329 -3.419 18049
1386 1 4 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.768 -2.838 18049
1387 1 4 . 1 1 8 8 ASN H H 8 8.659 8.659 8.842 -0.183 18049
1388 1 4 . 1 1 9 9 ASN N N 9 122.394 122.394 115.790 6.604 18049
1389 1 4 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.739 0.061 18049
1390 1 4 . 1 1 9 9 ASN CA C 9 53.312 53.312 54.071 -0.759 18049
1391 1 4 . 1 1 9 9 ASN CB C 9 37.875 37.875 38.933 -1.058 18049
1392 1 4 . 1 1 9 9 ASN H H 9 9.861 9.861 7.770 2.091 18049
1393 1 4 . 1 1 10 10 CYS N N 10 117.508 117.508 120.041 -2.533 18049
1394 1 4 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.498 0.207 18049
1395 1 4 . 1 1 10 10 CYS CA C 10 56.350 56.350 59.612 -3.262 18049
1396 1 4 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.093 1.447 18049
1397 1 4 . 1 1 10 10 CYS H H 10 8.814 8.814 8.147 0.667 18049
1398 1 4 . 1 1 11 11 SER N N 11 115.934 115.934 112.540 3.394 18049
1399 1 4 . 1 1 11 11 SER HA H 11 4.150 4.150 4.129 0.021 18049
1400 1 4 . 1 1 11 11 SER CA C 11 58.769 58.769 59.484 -0.715 18049
1401 1 4 . 1 1 11 11 SER CB C 11 59.635 59.635 62.735 -3.100 18049
1402 1 4 . 1 1 11 11 SER H H 11 7.821 7.821 8.417 -0.596 18049
1403 1 4 . 1 1 12 12 GLN N N 12 120.325 120.325 118.826 1.499 18049
1404 1 4 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.434 -0.073 18049
1405 1 4 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.030 -2.160 18049
1406 1 4 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.484 -2.571 18049
1407 1 4 . 1 1 12 12 GLN H H 12 8.311 8.311 7.517 0.794 18049
1408 1 4 . 1 1 13 13 ARG N N 13 118.657 118.657 119.916 -1.259 18049
1409 1 4 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.260 0.108 18049
1410 1 4 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.530 -3.500 18049
1411 1 4 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.528 1.772 18049
1412 1 4 . 1 1 13 13 ARG H H 13 8.430 8.430 8.397 0.033 18049
1413 1 4 . 1 1 14 14 GLY N N 14 107.015 107.015 109.930 -2.915 18049
1414 1 4 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.949 -3.219 18049
1415 1 4 . 1 1 14 14 GLY H H 14 8.706 8.706 8.852 -0.146 18049
1416 1 4 . 1 1 15 15 HIS N N 15 113.397 113.397 123.605 -10.208 18049
1417 1 4 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.647 -0.047 18049
1418 1 4 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.327 -0.891 18049
1419 1 4 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.301 -0.414 18049
1420 1 4 . 1 1 15 15 HIS H H 15 6.998 6.998 7.986 -0.988 18049
1421 1 4 . 1 1 16 16 LEU N N 16 117.239 117.239 121.384 -4.145 18049
1422 1 4 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.364 0.221 18049
1423 1 4 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.730 -4.201 18049
1424 1 4 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.598 -0.402 18049
1425 1 4 . 1 1 16 16 LEU H H 16 8.614 8.614 7.886 0.728 18049
1426 1 4 . 1 1 17 17 LYS N N 17 122.561 122.561 121.261 1.300 18049
1427 1 4 . 1 1 17 17 LYS HA H 17 4.780 4.780 4.005 0.775 18049
1428 1 4 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.627 -1.863 18049
1429 1 4 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.631 -1.830 18049
1430 1 4 . 1 1 17 17 LYS H H 17 8.681 8.681 8.662 0.019 18049
1431 1 4 . 1 1 18 18 LYS N N 18 117.626 117.626 114.352 3.274 18049
1432 1 4 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.332 -0.228 18049
1433 1 4 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.865 -2.046 18049
1434 1 4 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.931 -3.176 18049
1435 1 4 . 1 1 18 18 LYS H H 18 8.320 8.320 8.214 0.106 18049
1436 1 4 . 1 1 19 19 ASP N N 19 118.071 118.071 120.548 -2.477 18049
1437 1 4 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.913 -0.063 18049
1438 1 4 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.654 -4.822 18049
1439 1 4 . 1 1 19 19 ASP CB C 19 39.900 39.900 43.293 -3.393 18049
1440 1 4 . 1 1 19 19 ASP H H 19 7.770 7.770 8.185 -0.415 18049
1441 1 4 . 1 1 20 20 CYS N N 20 123.265 123.265 121.181 2.084 18049
1442 1 4 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.946 -0.244 18049
1443 1 4 . 1 1 20 20 CYS CA C 20 59.556 59.556 63.561 -4.005 18049
1444 1 4 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.015 1.481 18049
1445 1 4 . 1 1 20 20 CYS H H 20 7.275 7.275 8.300 -1.025 18049
1446 1 4 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.366 -4.466 18049
1447 1 4 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.326 -0.607 18049
1448 1 4 . 1 1 22 22 HIS N N 22 121.576 121.576 118.540 3.036 18049
1449 1 4 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.404 -3.920 18049
1450 1 4 . 1 1 22 22 HIS CB C 22 27.833 27.833 31.801 -3.968 18049
1451 1 4 . 1 1 22 22 HIS H H 22 7.882 7.882 7.846 0.036 18049
1452 1 4 . 1 1 23 23 ILE N N 23 117.100 117.100 117.001 0.099 18049
1453 1 4 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.590 -0.420 18049
1454 1 4 . 1 1 23 23 ILE CA C 23 57.420 57.420 59.857 -2.437 18049
1455 1 4 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.876 -0.895 18049
1456 1 4 . 1 1 23 23 ILE H H 23 8.660 8.660 8.503 0.157 18049
1457 1 4 . 1 1 24 24 ILE N N 24 126.524 126.524 117.983 8.541 18049
1458 1 4 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.539 0.411 18049
1459 1 4 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.711 -4.021 18049
1460 1 4 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.150 -0.974 18049
1461 1 4 . 1 1 24 24 ILE H H 24 8.486 8.486 7.514 0.972 18049
1462 1 4 . 1 1 25 25 CYS CA C 25 56.014 56.014 56.926 -0.912 18049
1463 1 4 . 1 1 25 25 CYS CB C 25 27.273 27.273 31.491 -4.218 18049
1464 1 4 . 1 1 26 26 SER N N 26 127.811 127.811 118.244 9.567 18049
1465 1 4 . 1 1 26 26 SER HA H 26 4.050 4.050 4.053 -0.003 18049
1466 1 4 . 1 1 26 26 SER CA C 26 58.170 58.170 59.785 -1.615 18049
1467 1 4 . 1 1 26 26 SER CB C 26 60.523 60.523 62.577 -2.054 18049
1468 1 4 . 1 1 26 26 SER H H 26 9.491 9.491 8.956 0.535 18049
1469 1 4 . 1 1 27 27 TYR N N 27 124.378 124.378 116.255 8.123 18049
1470 1 4 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.193 0.332 18049
1471 1 4 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.189 -1.299 18049
1472 1 4 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.091 0.002 18049
1473 1 4 . 1 1 27 27 TYR H H 27 9.389 9.389 8.120 1.269 18049
1474 1 4 . 1 1 28 28 CYS N N 28 126.900 126.900 115.139 11.761 18049
1475 1 4 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.708 -1.787 18049
1476 1 4 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.412 0.786 18049
1477 1 4 . 1 1 28 28 CYS H H 28 8.490 8.490 7.946 0.544 18049
1478 1 4 . 1 1 29 29 GLY N N 29 113.271 113.271 107.062 6.209 18049
1479 1 4 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.627 -1.279 18049
1480 1 4 . 1 1 29 29 GLY H H 29 7.792 7.792 7.091 0.701 18049
1481 1 4 . 1 1 30 30 ALA N N 30 124.805 124.805 121.402 3.403 18049
1482 1 4 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.536 -0.417 18049
1483 1 4 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.966 0.174 18049
1484 1 4 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.034 -2.314 18049
1485 1 4 . 1 1 30 30 ALA H H 30 8.541 8.541 8.559 -0.018 18049
1486 1 4 . 1 1 31 31 THR N N 31 118.352 118.352 117.541 0.811 18049
1487 1 4 . 1 1 31 31 THR CA C 31 58.082 58.082 64.561 -6.479 18049
1488 1 4 . 1 1 31 31 THR CB C 31 67.072 67.072 68.697 -1.625 18049
1489 1 4 . 1 1 31 31 THR H H 31 8.544 8.544 8.772 -0.228 18049
1490 1 4 . 1 1 32 32 ASP N N 32 123.222 123.222 119.183 4.039 18049
1491 1 4 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.654 -0.611 18049
1492 1 4 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.164 -2.015 18049
1493 1 4 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.233 -4.785 18049
1494 1 4 . 1 1 32 32 ASP H H 32 9.768 9.768 8.403 1.365 18049
1495 1 4 . 1 1 33 33 ASP N N 33 116.889 116.889 116.923 -0.034 18049
1496 1 4 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.643 -0.323 18049
1497 1 4 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.731 1.459 18049
1498 1 4 . 1 1 33 33 ASP H H 33 8.111 8.111 7.722 0.389 18049
1499 1 4 . 1 1 34 34 HIS N N 34 110.849 110.849 120.695 -9.846 18049
1500 1 4 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.676 -4.486 18049
1501 1 4 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.678 7.092 18049
1502 1 4 . 1 1 34 34 HIS H H 34 6.959 6.959 8.083 -1.124 18049
1503 1 4 . 1 1 35 35 TYR N N 35 117.529 117.529 126.561 -9.032 18049
1504 1 4 . 1 1 35 35 TYR CA C 35 54.137 54.137 55.739 -1.602 18049
1505 1 4 . 1 1 35 35 TYR CB C 35 37.567 37.567 40.204 -2.637 18049
1506 1 4 . 1 1 35 35 TYR H H 35 8.813 8.813 7.827 0.986 18049
1507 1 4 . 1 1 36 36 SER N N 36 121.984 121.984 124.510 -2.526 18049
1508 1 4 . 1 1 36 36 SER CA C 36 57.520 57.520 60.229 -2.709 18049
1509 1 4 . 1 1 36 36 SER CB C 36 59.800 59.800 63.234 -3.434 18049
1510 1 4 . 1 1 36 36 SER H H 36 8.518 8.518 8.692 -0.174 18049
1511 1 4 . 1 1 37 37 ARG N N 37 119.707 119.707 120.063 -0.356 18049
1512 1 4 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.133 -5.462 18049
1513 1 4 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.506 -2.413 18049
1514 1 4 . 1 1 37 37 ARG H H 37 7.963 7.963 7.549 0.414 18049
1515 1 4 . 1 1 38 38 HIS N N 38 125.394 125.394 114.514 10.880 18049
1516 1 4 . 1 1 38 38 HIS CA C 38 56.276 56.276 56.040 0.236 18049
1517 1 4 . 1 1 38 38 HIS H H 38 7.443 7.443 7.366 0.077 18049
1518 1 4 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.035 0.415 18049
1519 1 4 . 1 1 39 39 CYS CA C 39 51.680 51.680 60.577 -8.897 18049
1520 1 4 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.403 1.837 18049
1521 1 4 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.668 -0.358 18049
1522 1 4 . 1 1 40 40 PRO CA C 40 60.440 60.440 61.991 -1.551 18049
1523 1 4 . 1 1 40 40 PRO CB C 40 30.300 30.300 33.387 -3.087 18049
1524 1 4 . 1 1 41 41 LYS N N 41 121.400 121.400 119.508 1.892 18049
1525 1 4 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.797 -0.718 18049
1526 1 4 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.756 -2.076 18049
1527 1 4 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.586 -1.945 18049
1528 1 4 . 1 1 41 41 LYS H H 41 8.650 8.650 8.433 0.217 18049
1529 1 4 . 1 1 42 42 ALA N N 42 122.096 122.096 122.863 -0.767 18049
1530 1 4 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.529 -1.010 18049
1531 1 4 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.889 -3.298 18049
1532 1 4 . 1 1 42 42 ALA CB C 42 16.456 16.456 21.052 -4.596 18049
1533 1 4 . 1 1 42 42 ALA H H 42 7.201 7.201 8.809 -1.608 18049
1534 1 4 . 1 1 43 43 ILE N N 43 119.646 119.646 118.808 0.838 18049
1535 1 4 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.376 -0.645 18049
1536 1 4 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.737 -2.771 18049
1537 1 4 . 1 1 43 43 ILE CB C 43 35.977 35.977 38.657 -2.680 18049
1538 1 4 . 1 1 43 43 ILE H H 43 7.086 7.086 8.326 -1.240 18049
1539 1 4 . 1 1 44 44 GLN N N 44 125.541 125.541 118.783 6.758 18049
1540 1 4 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.732 -0.300 18049
1541 1 4 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.407 -2.671 18049
1542 1 4 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.640 -3.556 18049
1543 1 4 . 1 1 44 44 GLN H H 44 7.980 7.980 7.640 0.340 18049
1544 1 4 . 1 1 45 45 CYS N N 45 130.678 130.678 119.457 11.221 18049
1545 1 4 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.536 -0.416 18049
1546 1 4 . 1 1 45 45 CYS CA C 45 57.330 57.330 58.269 -0.939 18049
1547 1 4 . 1 1 45 45 CYS CB C 45 28.000 28.000 28.984 -0.984 18049
1548 1 4 . 1 1 45 45 CYS H H 45 8.353 8.353 8.784 -0.431 18049
1549 1 4 . 1 1 46 46 SER N N 46 124.273 124.273 118.606 5.667 18049
1550 1 4 . 1 1 46 46 SER HA H 46 4.334 4.334 4.406 -0.072 18049
1551 1 4 . 1 1 46 46 SER CA C 46 56.923 56.923 59.172 -2.249 18049
1552 1 4 . 1 1 46 46 SER CB C 46 60.400 60.400 63.193 -2.793 18049
1553 1 4 . 1 1 46 46 SER H H 46 8.466 8.466 8.434 0.032 18049
1554 1 4 . 1 1 47 47 LYS N N 47 127.929 127.929 125.032 2.897 18049
1555 1 4 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.011 0.349 18049
1556 1 4 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.147 -0.827 18049
1557 1 4 . 1 1 47 47 LYS CB C 47 31.300 31.300 31.397 -0.097 18049
1558 1 4 . 1 1 47 47 LYS H H 47 9.720 9.720 8.562 1.158 18049
1559 1 4 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.099 0.491 18049
1560 1 4 . 1 1 48 48 CYS CA C 48 51.500 51.500 59.618 -8.118 18049
1561 1 4 . 1 1 48 48 CYS CB C 48 28.100 28.100 28.234 -0.134 18049
1562 1 4 . 1 1 48 48 CYS H H 48 8.600 8.600 8.506 0.094 18049
1563 1 4 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.667 0.043 18049
1564 1 4 . 1 1 49 49 ASP CA C 49 54.300 54.300 53.984 0.316 18049
1565 1 4 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.666 0.534 18049
1566 1 4 . 1 1 49 49 ASP H H 49 8.830 8.830 8.283 0.547 18049
1567 1 4 . 1 1 50 50 GLU N N 50 118.700 118.700 119.843 -1.143 18049
1568 1 4 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.587 -0.292 18049
1569 1 4 . 1 1 50 50 GLU CA C 50 54.340 54.340 54.760 -0.420 18049
1570 1 4 . 1 1 50 50 GLU CB C 50 28.500 28.500 32.743 -4.243 18049
1571 1 4 . 1 1 50 50 GLU H H 50 8.226 8.226 7.738 0.488 18049
1572 1 4 . 1 1 51 51 VAL N N 51 118.593 118.593 121.494 -2.901 18049
1573 1 4 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.006 0.267 18049
1574 1 4 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.870 -4.490 18049
1575 1 4 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.385 -1.135 18049
1576 1 4 . 1 1 51 51 VAL H H 51 8.216 8.216 8.814 -0.598 18049
1577 1 4 . 1 1 52 52 GLY N N 52 110.908 110.908 115.049 -4.141 18049
1578 1 4 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.590 -2.900 18049
1579 1 4 . 1 1 52 52 GLY H H 52 8.630 8.630 8.460 0.170 18049
1580 1 4 . 1 1 53 53 HIS N N 53 113.633 113.633 118.012 -4.379 18049
1581 1 4 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.827 -0.237 18049
1582 1 4 . 1 1 53 53 HIS CA C 53 52.450 52.450 55.815 -3.365 18049
1583 1 4 . 1 1 53 53 HIS CB C 53 28.040 28.040 31.487 -3.447 18049
1584 1 4 . 1 1 53 53 HIS H H 53 6.855 6.855 8.570 -1.715 18049
1585 1 4 . 1 1 54 54 TYR N N 54 115.154 115.154 122.960 -7.806 18049
1586 1 4 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.512 -0.342 18049
1587 1 4 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.640 -3.840 18049
1588 1 4 . 1 1 54 54 TYR CB C 54 36.629 36.629 39.247 -2.618 18049
1589 1 4 . 1 1 54 54 TYR H H 54 8.054 8.054 8.198 -0.144 18049
1590 1 4 . 1 1 55 55 ARG N N 55 126.509 126.509 123.505 3.004 18049
1591 1 4 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.914 -0.315 18049
1592 1 4 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.792 -0.969 18049
1593 1 4 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.325 -3.104 18049
1594 1 4 . 1 1 55 55 ARG H H 55 8.490 8.490 7.668 0.822 18049
1595 1 4 . 1 1 56 56 SER N N 56 116.450 116.450 116.079 0.371 18049
1596 1 4 . 1 1 56 56 SER CA C 56 56.523 56.523 60.717 -4.194 18049
1597 1 4 . 1 1 56 56 SER CB C 56 62.261 62.261 61.742 0.519 18049
1598 1 4 . 1 1 56 56 SER H H 56 8.247 8.247 8.761 -0.514 18049
1599 1 4 . 1 1 57 57 GLN N N 57 124.678 124.678 119.323 5.355 18049
1600 1 4 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.327 -0.153 18049
1601 1 4 . 1 1 57 57 GLN CA C 57 53.610 53.610 57.636 -4.026 18049
1602 1 4 . 1 1 57 57 GLN CB C 57 27.060 27.060 30.230 -3.170 18049
1603 1 4 . 1 1 57 57 GLN H H 57 8.702 8.702 7.758 0.944 18049
1604 1 4 . 1 1 58 58 CYS N N 58 126.577 126.577 118.589 7.988 18049
1605 1 4 . 1 1 58 58 CYS HA H 58 4.416 4.416 5.266 -0.850 18049
1606 1 4 . 1 1 58 58 CYS CA C 58 55.001 55.001 55.339 -0.338 18049
1607 1 4 . 1 1 58 58 CYS CB C 58 31.080 31.080 28.431 2.649 18049
1608 1 4 . 1 1 58 58 CYS H H 58 7.694 7.694 8.152 -0.458 18049
1609 1 4 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.602 3.189 18049
1610 1 4 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.263 -2.852 18049
1611 1 4 . 1 1 63 63 LYS N N 63 121.641 121.641 120.417 1.224 18049
1612 1 4 . 1 1 63 63 LYS CA C 63 52.372 52.372 55.911 -3.539 18049
1613 1 4 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.300 -4.508 18049
1614 1 4 . 1 1 63 63 LYS H H 63 8.033 8.033 6.858 1.175 18049
1615 1 4 . 1 1 64 64 LYS N N 64 111.775 111.775 120.075 -8.300 18049
1616 1 4 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.937 -2.194 18049
1617 1 4 . 1 1 64 64 LYS H H 64 8.104 8.104 8.468 -0.364 18049
1618 1 4 . 1 1 65 65 VAL N N 65 122.037 122.037 122.443 -0.406 18049
1619 1 4 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.835 0.205 18049
1620 1 4 . 1 1 65 65 VAL CA C 65 59.290 59.290 63.078 -3.788 18049
1621 1 4 . 1 1 65 65 VAL CB C 65 29.411 29.411 31.239 -1.828 18049
1622 1 4 . 1 1 65 65 VAL H H 65 8.306 8.306 7.297 1.009 18049
1623 1 4 . 1 1 66 66 GLN N N 66 121.994 121.994 128.333 -6.339 18049
1624 1 4 . 1 1 66 66 GLN CA C 66 53.603 53.603 58.334 -4.731 18049
1625 1 4 . 1 1 66 66 GLN CB C 66 30.300 30.300 29.036 1.264 18049
1626 1 4 . 1 1 66 66 GLN H H 66 8.360 8.360 8.970 -0.610 18049
1627 1 4 . 1 1 67 67 CYS N N 67 121.582 121.582 117.778 3.804 18049
1628 1 4 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.566 -0.527 18049
1629 1 4 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.340 -0.125 18049
1630 1 4 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.369 3.163 18049
1631 1 4 . 1 1 67 67 CYS H H 67 8.032 8.032 8.223 -0.191 18049
1632 1 4 . 1 1 68 68 THR HA H 68 4.046 4.046 4.055 -0.009 18049
1633 1 4 . 1 1 68 68 THR CA C 68 61.228 61.228 65.554 -4.326 18049
1634 1 4 . 1 1 68 68 THR CB C 68 65.371 65.371 68.051 -2.680 18049
1635 1 4 . 1 1 69 69 LEU N N 69 124.335 124.335 115.788 8.547 18049
1636 1 4 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.637 -0.255 18049
1637 1 4 . 1 1 69 69 LEU CA C 69 54.429 54.429 54.978 -0.549 18049
1638 1 4 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.880 -3.090 18049
1639 1 4 . 1 1 69 69 LEU H H 69 9.024 9.024 7.921 1.103 18049
1640 1 4 . 1 1 70 70 CYS N N 70 118.876 118.876 120.724 -1.848 18049
1641 1 4 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.582 -0.246 18049
1642 1 4 . 1 1 70 70 CYS CA C 70 53.145 53.145 60.273 -7.128 18049
1643 1 4 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.022 1.841 18049
1644 1 4 . 1 1 70 70 CYS H H 70 8.716 8.716 7.967 0.749 18049
1645 1 4 . 1 1 71 71 LYS N N 71 122.961 122.961 126.402 -3.441 18049
1646 1 4 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.446 -0.279 18049
1647 1 4 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.968 -2.133 18049
1648 1 4 . 1 1 71 71 LYS CB C 71 33.520 33.520 34.390 -0.870 18049
1649 1 4 . 1 1 71 71 LYS H H 71 8.505 8.505 8.019 0.486 18049
1650 1 4 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.015 -0.777 18049
1651 1 4 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.724 -1.481 18049
1652 1 4 . 1 1 75 75 HIS N N 75 111.915 111.915 116.230 -4.315 18049
1653 1 4 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.205 0.255 18049
1654 1 4 . 1 1 75 75 HIS CA C 75 52.255 52.255 57.661 -5.406 18049
1655 1 4 . 1 1 75 75 HIS CB C 75 28.700 28.700 27.963 0.737 18049
1656 1 4 . 1 1 75 75 HIS H H 75 6.732 6.732 9.076 -2.344 18049
1657 1 4 . 1 1 78 78 GLU N N 78 118.980 118.980 121.003 -2.023 18049
1658 1 4 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.925 0.085 18049
1659 1 4 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.107 -1.627 18049
1660 1 4 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.698 5.652 18049
1661 1 4 . 1 1 78 78 GLU H H 78 8.831 8.831 8.982 -0.151 18049
1662 1 4 . 1 1 81 81 PRO HA H 81 4.280 4.280 3.403 0.877 18049
1663 1 4 . 1 1 81 81 PRO CA C 81 61.512 61.512 65.161 -3.649 18049
1664 1 4 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.037 -1.522 18049
1665 1 4 . 1 1 82 82 SER N N 82 116.172 116.172 112.979 3.193 18049
1666 1 4 . 1 1 82 82 SER HA H 82 4.105 4.105 4.169 -0.064 18049
1667 1 4 . 1 1 82 82 SER CA C 82 58.317 58.317 60.420 -2.103 18049
1668 1 4 . 1 1 82 82 SER CB C 82 60.104 60.104 62.760 -2.656 18049
1669 1 4 . 1 1 82 82 SER H H 82 8.684 8.684 8.144 0.540 18049
1670 1 4 . 1 1 83 83 ILE N N 83 118.847 118.847 119.086 -0.239 18049
1671 1 4 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.151 -0.983 18049
1672 1 4 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.914 -0.432 18049
1673 1 4 . 1 1 83 83 ILE H H 83 7.424 7.424 7.052 0.372 18049
1674 1 4 . 1 1 84 84 TRP N N 84 115.140 115.140 121.509 -6.369 18049
1675 1 4 . 1 1 84 84 TRP CA C 84 54.593 54.593 55.959 -1.366 18049
1676 1 4 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.793 -3.925 18049
1677 1 4 . 1 1 84 84 TRP H H 84 8.131 8.131 7.487 0.644 18049
1678 1 4 . 1 1 85 85 ARG N N 85 118.936 118.936 120.113 -1.177 18049
1679 1 4 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.345 -4.127 18049
1680 1 4 . 1 1 85 85 ARG CB C 85 29.330 29.330 32.483 -3.153 18049
1681 1 4 . 1 1 85 85 ARG H H 85 7.884 7.884 8.495 -0.611 18049
1682 1 4 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.311 -0.341 18049
1683 1 4 . 1 1 86 86 ALA CA C 86 50.020 50.020 52.652 -2.632 18049
1684 1 4 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.335 -2.936 18049
1685 1 4 . 1 1 87 87 TYR N N 87 117.965 117.965 117.831 0.134 18049
1686 1 4 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.802 -0.346 18049
1687 1 4 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.529 -2.601 18049
1688 1 4 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.401 -0.389 18049
1689 1 4 . 1 1 87 87 TYR H H 87 7.733 7.733 7.879 -0.146 18049
1690 1 4 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.657 0.984 18049
1691 1 4 . 1 1 89 89 LEU CB C 89 36.799 36.799 43.506 -6.707 18049
1692 1 4 . 1 1 90 90 VAL N N 90 118.969 118.969 119.834 -0.865 18049
1693 1 4 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.569 -2.459 18049
1694 1 4 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.326 -2.199 18049
1695 1 4 . 1 1 90 90 VAL H H 90 8.944 8.944 8.312 0.632 18049
1696 1 4 . 1 1 91 91 ASP N N 91 127.947 127.947 122.177 5.770 18049
1697 1 4 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.751 -4.783 18049
1698 1 4 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.654 -2.792 18049
1699 1 4 . 1 1 91 91 ASP H H 91 8.320 8.320 7.841 0.479 18049
1700 1 4 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.745 -1.727 18049
1701 1 4 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.736 -3.289 18049
1702 1 4 . 1 1 93 93 ASN N N 93 118.727 118.727 119.771 -1.044 18049
1703 1 4 . 1 1 93 93 ASN CA C 93 51.153 51.153 54.736 -3.583 18049
1704 1 4 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.558 -2.187 18049
1705 1 4 . 1 1 93 93 ASN H H 93 8.396 8.396 8.887 -0.491 18049
1706 1 4 . 1 1 94 94 GLU N N 94 120.824 120.824 118.327 2.497 18049
1707 1 4 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.481 -3.092 18049
1708 1 4 . 1 1 94 94 GLU CB C 94 27.270 27.270 29.080 -1.810 18049
1709 1 4 . 1 1 94 94 GLU H H 94 8.266 8.266 8.776 -0.510 18049
1710 1 4 . 1 1 95 95 LYS N N 95 121.079 121.079 117.307 3.772 18049
1711 1 4 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.292 -0.136 18049
1712 1 4 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.278 -2.437 18049
1713 1 4 . 1 1 95 95 LYS CB C 95 30.173 30.173 32.808 -2.635 18049
1714 1 4 . 1 1 95 95 LYS H H 95 8.055 8.055 8.195 -0.140 18049
1715 1 4 . 1 1 96 96 ALA N N 96 124.103 124.103 123.656 0.447 18049
1716 1 4 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.353 -0.151 18049
1717 1 4 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.261 -2.534 18049
1718 1 4 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.146 -2.394 18049
1719 1 4 . 1 1 96 96 ALA H H 96 8.053 8.053 8.100 -0.047 18049
1720 1 4 . 1 1 97 97 LYS N N 97 121.893 121.893 121.536 0.357 18049
1721 1 4 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.633 0.252 18049
1722 1 4 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.620 -3.161 18049
1723 1 4 . 1 1 97 97 LYS H H 97 8.091 8.091 8.627 -0.536 18049
1724 1 4 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.280 0.156 18049
1725 1 4 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.720 -3.695 18049
1726 1 4 . 1 1 98 98 PRO CB C 98 29.542 29.542 31.869 -2.327 18049
1727 1 4 . 1 1 99 99 LYS N N 99 121.497 121.497 118.072 3.425 18049
1728 1 4 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.077 0.288 18049
1729 1 4 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.629 -3.970 18049
1730 1 4 . 1 1 99 99 LYS CB C 99 31.973 31.973 32.307 -0.334 18049
1731 1 4 . 1 1 99 99 LYS H H 99 8.241 8.241 7.784 0.457 18049
1732 1 4 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.377 -0.110 18049
1733 1 4 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.192 -1.789 18049
1734 1 4 . 1 1 102 102 PRO CB C 102 29.457 29.457 31.916 -2.459 18049
1735 1 4 . 1 1 103 103 PHE N N 103 118.755 118.755 119.749 -0.994 18049
1736 1 4 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.036 -0.977 18049
1737 1 4 . 1 1 103 103 PHE H H 103 8.675 8.675 7.685 0.990 18049
1738 1 4 . 1 1 105 105 THR HA H 105 4.630 4.630 4.236 0.394 18049
1739 1 4 . 1 1 105 105 THR CA C 105 59.356 59.356 63.300 -3.944 18049
1740 1 4 . 1 1 105 105 THR CB C 105 67.299 67.299 67.384 -0.085 18049
1741 1 4 . 1 1 106 106 ILE N N 106 124.035 124.035 112.722 11.313 18049
1742 1 4 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.294 0.337 18049
1743 1 4 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.066 -2.336 18049
1744 1 4 . 1 1 106 106 ILE CB C 106 36.907 36.907 37.506 -0.599 18049
1745 1 4 . 1 1 106 106 ILE H H 106 7.833 7.833 7.798 0.035 18049
1746 1 4 . 1 1 107 107 TYR N N 107 118.339 118.339 121.390 -3.051 18049
1747 1 4 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.842 -0.302 18049
1748 1 4 . 1 1 107 107 TYR CA C 107 55.828 55.828 57.804 -1.976 18049
1749 1 4 . 1 1 107 107 TYR CB C 107 37.240 37.240 41.028 -3.788 18049
1750 1 4 . 1 1 107 107 TYR H H 107 8.925 8.925 7.815 1.110 18049
1751 1 4 . 1 1 108 108 CYS N N 108 130.380 130.380 122.415 7.965 18049
1752 1 4 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.774 -0.654 18049
1753 1 4 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.730 -1.780 18049
1754 1 4 . 1 1 108 108 CYS CB C 108 27.900 27.900 30.281 -2.381 18049
1755 1 4 . 1 1 108 108 CYS H H 108 8.335 8.335 7.767 0.568 18049
1756 1 4 . 1 1 109 109 TYR N N 109 126.618 126.618 127.759 -1.141 18049
1757 1 4 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.594 -0.194 18049
1758 1 4 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.893 -3.623 18049
1759 1 4 . 1 1 109 109 TYR CB C 109 34.500 34.500 39.617 -5.117 18049
1760 1 4 . 1 1 109 109 TYR H H 109 8.011 8.011 8.961 -0.950 18049
1761 1 4 . 1 1 110 110 ASN N N 110 125.398 125.398 122.186 3.212 18049
1762 1 4 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.038 0.764 18049
1763 1 4 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.758 -1.189 18049
1764 1 4 . 1 1 110 110 ASN CB C 110 37.922 37.922 37.442 0.480 18049
1765 1 4 . 1 1 110 110 ASN H H 110 9.284 9.284 8.250 1.034 18049
1766 1 4 . 1 1 111 111 CYS N N 111 118.921 118.921 121.091 -2.170 18049
1767 1 4 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.433 0.477 18049
1768 1 4 . 1 1 111 111 CYS CA C 111 55.986 55.986 60.196 -4.210 18049
1769 1 4 . 1 1 111 111 CYS CB C 111 30.172 30.172 28.713 1.459 18049
1770 1 4 . 1 1 111 111 CYS H H 111 9.171 9.171 8.115 1.056 18049
1771 1 4 . 1 1 112 112 GLY N N 112 114.064 114.064 113.170 0.894 18049
1772 1 4 . 1 1 112 112 GLY CA C 112 43.281 43.281 46.255 -2.974 18049
1773 1 4 . 1 1 112 112 GLY H H 112 7.840 7.840 8.555 -0.715 18049
1774 1 4 . 1 1 113 113 GLY N N 113 112.541 112.541 107.936 4.605 18049
1775 1 4 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.399 -3.206 18049
1776 1 4 . 1 1 113 113 GLY H H 113 9.023 9.023 7.979 1.044 18049
1777 1 4 . 1 1 114 114 LYS N N 114 119.130 119.130 120.636 -1.506 18049
1778 1 4 . 1 1 114 114 LYS HA H 114 4.260 4.260 3.720 0.540 18049
1779 1 4 . 1 1 114 114 LYS CA C 114 52.750 52.750 58.940 -6.190 18049
1780 1 4 . 1 1 114 114 LYS CB C 114 31.680 31.680 31.088 0.592 18049
1781 1 4 . 1 1 114 114 LYS H H 114 8.200 8.200 7.410 0.790 18049
1782 1 4 . 1 1 115 115 GLY N N 115 108.864 108.864 106.149 2.715 18049
1783 1 4 . 1 1 115 115 GLY CA C 115 43.073 43.073 44.634 -1.561 18049
1784 1 4 . 1 1 115 115 GLY H H 115 8.501 8.501 8.420 0.081 18049
1785 1 4 . 1 1 116 116 HIS N N 116 113.173 113.173 118.488 -5.315 18049
1786 1 4 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.362 0.069 18049
1787 1 4 . 1 1 116 116 HIS CA C 116 52.400 52.400 55.403 -3.002 18049
1788 1 4 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.114 -2.584 18049
1789 1 4 . 1 1 116 116 HIS H H 116 6.665 6.665 7.599 -0.934 18049
1790 1 4 . 1 1 117 117 PHE N N 117 116.353 116.353 118.132 -1.779 18049
1791 1 4 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.292 0.388 18049
1792 1 4 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.192 -4.108 18049
1793 1 4 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.717 1.547 18049
1794 1 4 . 1 1 117 117 PHE H H 117 8.529 8.529 8.485 0.044 18049
1795 1 4 . 1 1 118 118 GLY N N 118 108.977 108.977 107.640 1.337 18049
1796 1 4 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.597 -1.236 18049
1797 1 4 . 1 1 118 118 GLY H H 118 8.870 8.870 7.576 1.294 18049
1798 1 4 . 1 1 119 119 ASP N N 119 117.997 117.997 119.538 -1.541 18049
1799 1 4 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.554 -0.210 18049
1800 1 4 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.452 -2.948 18049
1801 1 4 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.061 -3.251 18049
1802 1 4 . 1 1 119 119 ASP H H 119 7.892 7.892 8.166 -0.274 18049
1803 1 4 . 1 1 120 120 ASP N N 120 116.782 116.782 118.287 -1.505 18049
1804 1 4 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.772 0.083 18049
1805 1 4 . 1 1 120 120 ASP CA C 120 50.685 50.685 53.869 -3.184 18049
1806 1 4 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.635 -2.436 18049
1807 1 4 . 1 1 120 120 ASP H H 120 7.730 7.730 8.005 -0.275 18049
1808 1 4 . 1 1 121 121 CYS N N 121 125.836 125.836 120.702 5.134 18049
1809 1 4 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.391 0.389 18049
1810 1 4 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.732 -2.665 18049
1811 1 4 . 1 1 121 121 CYS CB C 121 28.200 28.200 28.857 -0.657 18049
1812 1 4 . 1 1 121 121 CYS H H 121 7.667 7.667 7.737 -0.070 18049
1813 1 5 . 1 1 3 3 ALA N N 3 125.353 125.353 121.221 4.132 18049
1814 1 5 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.655 -0.460 18049
1815 1 5 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.507 -1.929 18049
1816 1 5 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.613 -3.802 18049
1817 1 5 . 1 1 3 3 ALA H H 3 8.182 8.182 7.604 0.578 18049
1818 1 5 . 1 1 4 4 ALA N N 4 124.707 124.707 126.814 -2.107 18049
1819 1 5 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.199 0.261 18049
1820 1 5 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.427 -5.667 18049
1821 1 5 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.299 -1.501 18049
1822 1 5 . 1 1 4 4 ALA H H 4 8.151 8.151 8.935 -0.784 18049
1823 1 5 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.467 0.003 18049
1824 1 5 . 1 1 5 5 PRO CA C 5 59.320 59.320 62.980 -3.660 18049
1825 1 5 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.894 -2.094 18049
1826 1 5 . 1 1 6 6 LYS N N 6 121.400 121.400 117.112 4.288 18049
1827 1 5 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.974 0.289 18049
1828 1 5 . 1 1 6 6 LYS CA C 6 52.630 52.630 56.817 -4.187 18049
1829 1 5 . 1 1 6 6 LYS CB C 6 32.000 32.000 32.317 -0.317 18049
1830 1 5 . 1 1 6 6 LYS H H 6 8.230 8.230 8.200 0.030 18049
1831 1 5 . 1 1 7 7 CYS N N 7 128.995 128.995 115.642 13.353 18049
1832 1 5 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.330 -0.216 18049
1833 1 5 . 1 1 7 7 CYS CA C 7 57.020 57.020 60.046 -3.026 18049
1834 1 5 . 1 1 7 7 CYS CB C 7 27.720 27.720 28.031 -0.311 18049
1835 1 5 . 1 1 7 7 CYS H H 7 8.354 8.354 8.281 0.073 18049
1836 1 5 . 1 1 8 8 ASN N N 8 127.325 127.325 121.708 5.617 18049
1837 1 5 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.499 0.206 18049
1838 1 5 . 1 1 8 8 ASN CA C 8 51.910 51.910 53.713 -1.803 18049
1839 1 5 . 1 1 8 8 ASN CB C 8 35.930 35.930 37.787 -1.857 18049
1840 1 5 . 1 1 8 8 ASN H H 8 8.659 8.659 8.133 0.526 18049
1841 1 5 . 1 1 9 9 ASN N N 9 122.394 122.394 123.274 -0.880 18049
1842 1 5 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.326 0.474 18049
1843 1 5 . 1 1 9 9 ASN CA C 9 53.312 53.312 55.920 -2.608 18049
1844 1 5 . 1 1 9 9 ASN CB C 9 37.875 37.875 37.343 0.532 18049
1845 1 5 . 1 1 9 9 ASN H H 9 9.861 9.861 8.623 1.238 18049
1846 1 5 . 1 1 10 10 CYS N N 10 117.508 117.508 117.625 -0.117 18049
1847 1 5 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.555 0.150 18049
1848 1 5 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.506 -2.156 18049
1849 1 5 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.623 0.917 18049
1850 1 5 . 1 1 10 10 CYS H H 10 8.814 8.814 7.912 0.902 18049
1851 1 5 . 1 1 11 11 SER N N 11 115.934 115.934 112.574 3.360 18049
1852 1 5 . 1 1 11 11 SER HA H 11 4.150 4.150 3.956 0.194 18049
1853 1 5 . 1 1 11 11 SER CA C 11 58.769 58.769 59.304 -0.535 18049
1854 1 5 . 1 1 11 11 SER CB C 11 59.635 59.635 61.598 -1.963 18049
1855 1 5 . 1 1 11 11 SER H H 11 7.821 7.821 8.705 -0.884 18049
1856 1 5 . 1 1 12 12 GLN N N 12 120.325 120.325 120.818 -0.493 18049
1857 1 5 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.607 -0.246 18049
1858 1 5 . 1 1 12 12 GLN CA C 12 52.870 52.870 54.770 -1.901 18049
1859 1 5 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.567 -2.654 18049
1860 1 5 . 1 1 12 12 GLN H H 12 8.311 8.311 7.561 0.750 18049
1861 1 5 . 1 1 13 13 ARG N N 13 118.657 118.657 123.801 -5.144 18049
1862 1 5 . 1 1 13 13 ARG HA H 13 4.368 4.368 3.975 0.393 18049
1863 1 5 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.776 -3.746 18049
1864 1 5 . 1 1 13 13 ARG CB C 13 32.300 32.300 28.849 3.451 18049
1865 1 5 . 1 1 13 13 ARG H H 13 8.430 8.430 8.918 -0.488 18049
1866 1 5 . 1 1 14 14 GLY N N 14 107.015 107.015 111.188 -4.173 18049
1867 1 5 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.602 -1.873 18049
1868 1 5 . 1 1 14 14 GLY H H 14 8.706 8.706 8.453 0.253 18049
1869 1 5 . 1 1 15 15 HIS N N 15 113.397 113.397 118.381 -4.984 18049
1870 1 5 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.355 0.245 18049
1871 1 5 . 1 1 15 15 HIS CA C 15 52.436 52.436 54.584 -2.148 18049
1872 1 5 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.244 -0.357 18049
1873 1 5 . 1 1 15 15 HIS H H 15 6.998 6.998 8.425 -1.427 18049
1874 1 5 . 1 1 16 16 LEU N N 16 117.239 117.239 119.467 -2.228 18049
1875 1 5 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.287 0.298 18049
1876 1 5 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.688 -4.159 18049
1877 1 5 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.453 -0.257 18049
1878 1 5 . 1 1 16 16 LEU H H 16 8.614 8.614 8.280 0.334 18049
1879 1 5 . 1 1 17 17 LYS N N 17 122.561 122.561 121.715 0.846 18049
1880 1 5 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.894 0.886 18049
1881 1 5 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.137 -1.373 18049
1882 1 5 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.974 -2.172 18049
1883 1 5 . 1 1 17 17 LYS H H 17 8.681 8.681 8.111 0.570 18049
1884 1 5 . 1 1 18 18 LYS N N 18 117.626 117.626 113.824 3.802 18049
1885 1 5 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.270 -0.166 18049
1886 1 5 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.024 -2.205 18049
1887 1 5 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.605 -2.850 18049
1888 1 5 . 1 1 18 18 LYS H H 18 8.320 8.320 7.970 0.350 18049
1889 1 5 . 1 1 19 19 ASP N N 19 118.071 118.071 120.697 -2.626 18049
1890 1 5 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.689 0.161 18049
1891 1 5 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.088 -4.256 18049
1892 1 5 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.052 -2.152 18049
1893 1 5 . 1 1 19 19 ASP H H 19 7.770 7.770 7.920 -0.150 18049
1894 1 5 . 1 1 20 20 CYS N N 20 123.265 123.265 119.554 3.711 18049
1895 1 5 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.966 -0.264 18049
1896 1 5 . 1 1 20 20 CYS CA C 20 59.556 59.556 63.183 -3.627 18049
1897 1 5 . 1 1 20 20 CYS CB C 20 28.496 28.496 25.724 2.772 18049
1898 1 5 . 1 1 20 20 CYS H H 20 7.275 7.275 8.234 -0.959 18049
1899 1 5 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.470 -4.570 18049
1900 1 5 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.405 -0.686 18049
1901 1 5 . 1 1 22 22 HIS N N 22 121.576 121.576 120.492 1.084 18049
1902 1 5 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.974 -4.490 18049
1903 1 5 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.598 -2.764 18049
1904 1 5 . 1 1 22 22 HIS H H 22 7.882 7.882 7.751 0.131 18049
1905 1 5 . 1 1 23 23 ILE N N 23 117.100 117.100 117.916 -0.816 18049
1906 1 5 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.535 -0.365 18049
1907 1 5 . 1 1 23 23 ILE CA C 23 57.420 57.420 58.775 -1.355 18049
1908 1 5 . 1 1 23 23 ILE CB C 23 36.980 36.980 39.964 -2.984 18049
1909 1 5 . 1 1 23 23 ILE H H 23 8.660 8.660 8.202 0.458 18049
1910 1 5 . 1 1 24 24 ILE N N 24 126.524 126.524 118.875 7.649 18049
1911 1 5 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.588 0.362 18049
1912 1 5 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.379 -3.689 18049
1913 1 5 . 1 1 24 24 ILE CB C 24 37.176 37.176 36.523 0.653 18049
1914 1 5 . 1 1 24 24 ILE H H 24 8.486 8.486 7.957 0.529 18049
1915 1 5 . 1 1 25 25 CYS CA C 25 56.014 56.014 57.963 -1.949 18049
1916 1 5 . 1 1 25 25 CYS CB C 25 27.273 27.273 30.350 -3.077 18049
1917 1 5 . 1 1 26 26 SER N N 26 127.811 127.811 120.391 7.420 18049
1918 1 5 . 1 1 26 26 SER HA H 26 4.050 4.050 4.032 0.018 18049
1919 1 5 . 1 1 26 26 SER CA C 26 58.170 58.170 59.110 -0.940 18049
1920 1 5 . 1 1 26 26 SER CB C 26 60.523 60.523 62.114 -1.591 18049
1921 1 5 . 1 1 26 26 SER H H 26 9.491 9.491 8.889 0.602 18049
1922 1 5 . 1 1 27 27 TYR N N 27 124.378 124.378 116.560 7.818 18049
1923 1 5 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.127 0.398 18049
1924 1 5 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.375 -1.485 18049
1925 1 5 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.454 -0.361 18049
1926 1 5 . 1 1 27 27 TYR H H 27 9.389 9.389 8.201 1.188 18049
1927 1 5 . 1 1 28 28 CYS N N 28 126.900 126.900 115.472 11.428 18049
1928 1 5 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.693 -2.772 18049
1929 1 5 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.684 0.514 18049
1930 1 5 . 1 1 28 28 CYS H H 28 8.490 8.490 7.940 0.550 18049
1931 1 5 . 1 1 29 29 GLY N N 29 113.271 113.271 106.251 7.020 18049
1932 1 5 . 1 1 29 29 GLY CA C 29 43.348 43.348 43.402 -0.054 18049
1933 1 5 . 1 1 29 29 GLY H H 29 7.792 7.792 7.384 0.408 18049
1934 1 5 . 1 1 30 30 ALA N N 30 124.805 124.805 120.847 3.958 18049
1935 1 5 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.438 -0.319 18049
1936 1 5 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.085 0.055 18049
1937 1 5 . 1 1 30 30 ALA CB C 30 17.720 17.720 19.853 -2.133 18049
1938 1 5 . 1 1 30 30 ALA H H 30 8.541 8.541 7.839 0.702 18049
1939 1 5 . 1 1 31 31 THR N N 31 118.352 118.352 114.548 3.804 18049
1940 1 5 . 1 1 31 31 THR CA C 31 58.082 58.082 64.461 -6.379 18049
1941 1 5 . 1 1 31 31 THR CB C 31 67.072 67.072 68.794 -1.722 18049
1942 1 5 . 1 1 31 31 THR H H 31 8.544 8.544 8.540 0.004 18049
1943 1 5 . 1 1 32 32 ASP N N 32 123.222 123.222 117.765 5.457 18049
1944 1 5 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.674 -0.631 18049
1945 1 5 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.632 -1.483 18049
1946 1 5 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.567 -5.120 18049
1947 1 5 . 1 1 32 32 ASP H H 32 9.768 9.768 8.143 1.625 18049
1948 1 5 . 1 1 33 33 ASP N N 33 116.889 116.889 117.198 -0.309 18049
1949 1 5 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.961 -0.640 18049
1950 1 5 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.507 1.683 18049
1951 1 5 . 1 1 33 33 ASP H H 33 8.111 8.111 7.699 0.412 18049
1952 1 5 . 1 1 34 34 HIS N N 34 110.849 110.849 123.393 -12.544 18049
1953 1 5 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.045 -2.855 18049
1954 1 5 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.630 6.140 18049
1955 1 5 . 1 1 34 34 HIS H H 34 6.959 6.959 7.896 -0.937 18049
1956 1 5 . 1 1 35 35 TYR N N 35 117.529 117.529 126.178 -8.649 18049
1957 1 5 . 1 1 35 35 TYR CA C 35 54.137 54.137 57.142 -3.005 18049
1958 1 5 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.993 -4.426 18049
1959 1 5 . 1 1 35 35 TYR H H 35 8.813 8.813 8.168 0.645 18049
1960 1 5 . 1 1 36 36 SER N N 36 121.984 121.984 116.507 5.477 18049
1961 1 5 . 1 1 36 36 SER CA C 36 57.520 57.520 59.804 -2.284 18049
1962 1 5 . 1 1 36 36 SER CB C 36 59.800 59.800 62.944 -3.144 18049
1963 1 5 . 1 1 36 36 SER H H 36 8.518 8.518 7.586 0.932 18049
1964 1 5 . 1 1 37 37 ARG N N 37 119.707 119.707 118.906 0.801 18049
1965 1 5 . 1 1 37 37 ARG CA C 37 51.671 51.671 55.907 -4.236 18049
1966 1 5 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.409 -3.316 18049
1967 1 5 . 1 1 37 37 ARG H H 37 7.963 7.963 7.181 0.782 18049
1968 1 5 . 1 1 38 38 HIS N N 38 125.394 125.394 117.263 8.131 18049
1969 1 5 . 1 1 38 38 HIS CA C 38 56.276 56.276 57.365 -1.089 18049
1970 1 5 . 1 1 38 38 HIS H H 38 7.443 7.443 8.981 -1.538 18049
1971 1 5 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.003 0.447 18049
1972 1 5 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.987 -12.307 18049
1973 1 5 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.637 1.603 18049
1974 1 5 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.622 -0.312 18049
1975 1 5 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.511 -4.072 18049
1976 1 5 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.683 -1.383 18049
1977 1 5 . 1 1 41 41 LYS N N 41 121.400 121.400 119.252 2.148 18049
1978 1 5 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.685 -0.606 18049
1979 1 5 . 1 1 41 41 LYS CA C 41 53.680 53.680 56.385 -2.705 18049
1980 1 5 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.685 -2.044 18049
1981 1 5 . 1 1 41 41 LYS H H 41 8.650 8.650 8.366 0.284 18049
1982 1 5 . 1 1 42 42 ALA N N 42 122.096 122.096 120.922 1.174 18049
1983 1 5 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.523 -1.004 18049
1984 1 5 . 1 1 42 42 ALA CA C 42 49.591 49.591 51.883 -2.292 18049
1985 1 5 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.825 -4.369 18049
1986 1 5 . 1 1 42 42 ALA H H 42 7.201 7.201 7.538 -0.337 18049
1987 1 5 . 1 1 43 43 ILE N N 43 119.646 119.646 120.988 -1.342 18049
1988 1 5 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.197 -0.466 18049
1989 1 5 . 1 1 43 43 ILE CA C 43 57.966 57.966 59.708 -1.742 18049
1990 1 5 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.460 -0.483 18049
1991 1 5 . 1 1 43 43 ILE H H 43 7.086 7.086 7.759 -0.673 18049
1992 1 5 . 1 1 44 44 GLN N N 44 125.541 125.541 117.033 8.508 18049
1993 1 5 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.569 -0.137 18049
1994 1 5 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.290 -2.554 18049
1995 1 5 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.721 -3.637 18049
1996 1 5 . 1 1 44 44 GLN H H 44 7.980 7.980 7.303 0.677 18049
1997 1 5 . 1 1 45 45 CYS N N 45 130.678 130.678 118.568 12.110 18049
1998 1 5 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.729 -0.609 18049
1999 1 5 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.882 0.448 18049
2000 1 5 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.118 -2.118 18049
2001 1 5 . 1 1 45 45 CYS H H 45 8.353 8.353 8.228 0.125 18049
2002 1 5 . 1 1 46 46 SER N N 46 124.273 124.273 119.684 4.589 18049
2003 1 5 . 1 1 46 46 SER HA H 46 4.334 4.334 4.297 0.037 18049
2004 1 5 . 1 1 46 46 SER CA C 46 56.923 56.923 60.267 -3.344 18049
2005 1 5 . 1 1 46 46 SER CB C 46 60.400 60.400 63.384 -2.984 18049
2006 1 5 . 1 1 46 46 SER H H 46 8.466 8.466 8.613 -0.147 18049
2007 1 5 . 1 1 47 47 LYS N N 47 127.929 127.929 120.024 7.905 18049
2008 1 5 . 1 1 47 47 LYS HA H 47 4.360 4.360 3.939 0.421 18049
2009 1 5 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.627 -1.307 18049
2010 1 5 . 1 1 47 47 LYS CB C 47 31.300 31.300 30.571 0.729 18049
2011 1 5 . 1 1 47 47 LYS H H 47 9.720 9.720 8.890 0.830 18049
2012 1 5 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.674 -0.084 18049
2013 1 5 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.322 -5.822 18049
2014 1 5 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.696 -2.596 18049
2015 1 5 . 1 1 48 48 CYS H H 48 8.600 8.600 7.816 0.784 18049
2016 1 5 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.576 0.134 18049
2017 1 5 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.538 -0.238 18049
2018 1 5 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.933 0.267 18049
2019 1 5 . 1 1 49 49 ASP H H 49 8.830 8.830 8.609 0.221 18049
2020 1 5 . 1 1 50 50 GLU N N 50 118.700 118.700 118.368 0.332 18049
2021 1 5 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.950 -0.655 18049
2022 1 5 . 1 1 50 50 GLU CA C 50 54.340 54.340 54.171 0.169 18049
2023 1 5 . 1 1 50 50 GLU CB C 50 28.500 28.500 33.913 -5.413 18049
2024 1 5 . 1 1 50 50 GLU H H 50 8.226 8.226 7.480 0.746 18049
2025 1 5 . 1 1 51 51 VAL N N 51 118.593 118.593 118.469 0.124 18049
2026 1 5 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.041 0.232 18049
2027 1 5 . 1 1 51 51 VAL CA C 51 59.380 59.380 61.743 -2.363 18049
2028 1 5 . 1 1 51 51 VAL CB C 51 30.250 30.250 29.196 1.054 18049
2029 1 5 . 1 1 51 51 VAL H H 51 8.216 8.216 8.773 -0.557 18049
2030 1 5 . 1 1 52 52 GLY N N 52 110.908 110.908 109.891 1.017 18049
2031 1 5 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.589 -2.899 18049
2032 1 5 . 1 1 52 52 GLY H H 52 8.630 8.630 8.129 0.501 18049
2033 1 5 . 1 1 53 53 HIS N N 53 113.633 113.633 116.789 -3.156 18049
2034 1 5 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.878 -0.288 18049
2035 1 5 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.578 -2.128 18049
2036 1 5 . 1 1 53 53 HIS CB C 53 28.040 28.040 31.419 -3.378 18049
2037 1 5 . 1 1 53 53 HIS H H 53 6.855 6.855 7.247 -0.392 18049
2038 1 5 . 1 1 54 54 TYR N N 54 115.154 115.154 121.438 -6.284 18049
2039 1 5 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.223 -0.053 18049
2040 1 5 . 1 1 54 54 TYR CA C 54 53.800 53.800 59.003 -5.203 18049
2041 1 5 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.685 -2.056 18049
2042 1 5 . 1 1 54 54 TYR H H 54 8.054 8.054 8.822 -0.768 18049
2043 1 5 . 1 1 55 55 ARG N N 55 126.509 126.509 125.911 0.598 18049
2044 1 5 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.784 -0.185 18049
2045 1 5 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.182 -1.359 18049
2046 1 5 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.576 -2.355 18049
2047 1 5 . 1 1 55 55 ARG H H 55 8.490 8.490 8.712 -0.222 18049
2048 1 5 . 1 1 56 56 SER N N 56 116.450 116.450 110.280 6.170 18049
2049 1 5 . 1 1 56 56 SER CA C 56 56.523 56.523 59.436 -2.913 18049
2050 1 5 . 1 1 56 56 SER CB C 56 62.261 62.261 61.996 0.265 18049
2051 1 5 . 1 1 56 56 SER H H 56 8.247 8.247 8.422 -0.175 18049
2052 1 5 . 1 1 57 57 GLN N N 57 124.678 124.678 116.385 8.293 18049
2053 1 5 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.352 -0.178 18049
2054 1 5 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.026 -2.416 18049
2055 1 5 . 1 1 57 57 GLN CB C 57 27.060 27.060 30.854 -3.794 18049
2056 1 5 . 1 1 57 57 GLN H H 57 8.702 8.702 8.107 0.595 18049
2057 1 5 . 1 1 58 58 CYS N N 58 126.577 126.577 118.216 8.361 18049
2058 1 5 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.233 0.183 18049
2059 1 5 . 1 1 58 58 CYS CA C 58 55.001 55.001 60.456 -5.455 18049
2060 1 5 . 1 1 58 58 CYS CB C 58 31.080 31.080 24.850 6.230 18049
2061 1 5 . 1 1 58 58 CYS H H 58 7.694 7.694 8.275 -0.581 18049
2062 1 5 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.566 3.225 18049
2063 1 5 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.685 -3.274 18049
2064 1 5 . 1 1 63 63 LYS N N 63 121.641 121.641 121.482 0.159 18049
2065 1 5 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.092 -3.720 18049
2066 1 5 . 1 1 63 63 LYS CB C 63 27.792 27.792 33.220 -5.428 18049
2067 1 5 . 1 1 63 63 LYS H H 63 8.033 8.033 8.486 -0.453 18049
2068 1 5 . 1 1 64 64 LYS N N 64 111.775 111.775 121.377 -9.602 18049
2069 1 5 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.876 -2.133 18049
2070 1 5 . 1 1 64 64 LYS H H 64 8.104 8.104 8.233 -0.129 18049
2071 1 5 . 1 1 65 65 VAL N N 65 122.037 122.037 122.434 -0.397 18049
2072 1 5 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.882 0.158 18049
2073 1 5 . 1 1 65 65 VAL CA C 65 59.290 59.290 63.421 -4.131 18049
2074 1 5 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.533 -4.122 18049
2075 1 5 . 1 1 65 65 VAL H H 65 8.306 8.306 8.192 0.114 18049
2076 1 5 . 1 1 66 66 GLN N N 66 121.994 121.994 121.588 0.406 18049
2077 1 5 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.997 -3.394 18049
2078 1 5 . 1 1 66 66 GLN CB C 66 30.300 30.300 29.180 1.119 18049
2079 1 5 . 1 1 66 66 GLN H H 66 8.360 8.360 8.687 -0.327 18049
2080 1 5 . 1 1 67 67 CYS N N 67 121.582 121.582 118.475 3.107 18049
2081 1 5 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.783 -0.744 18049
2082 1 5 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.272 0.944 18049
2083 1 5 . 1 1 67 67 CYS CB C 67 30.532 30.532 30.256 0.276 18049
2084 1 5 . 1 1 67 67 CYS H H 67 8.032 8.032 7.729 0.303 18049
2085 1 5 . 1 1 68 68 THR HA H 68 4.046 4.046 4.063 -0.017 18049
2086 1 5 . 1 1 68 68 THR CA C 68 61.228 61.228 65.122 -3.894 18049
2087 1 5 . 1 1 68 68 THR CB C 68 65.371 65.371 69.190 -3.819 18049
2088 1 5 . 1 1 69 69 LEU N N 69 124.335 124.335 118.848 5.487 18049
2089 1 5 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.154 0.228 18049
2090 1 5 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.413 -1.984 18049
2091 1 5 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.410 -1.620 18049
2092 1 5 . 1 1 69 69 LEU H H 69 9.024 9.024 8.174 0.850 18049
2093 1 5 . 1 1 70 70 CYS N N 70 118.876 118.876 115.867 3.009 18049
2094 1 5 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.476 -0.140 18049
2095 1 5 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.052 -4.907 18049
2096 1 5 . 1 1 70 70 CYS CB C 70 29.863 29.863 27.139 2.724 18049
2097 1 5 . 1 1 70 70 CYS H H 70 8.716 8.716 7.550 1.166 18049
2098 1 5 . 1 1 71 71 LYS N N 71 122.961 122.961 124.097 -1.136 18049
2099 1 5 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.006 0.161 18049
2100 1 5 . 1 1 71 71 LYS CA C 71 53.835 53.835 57.217 -3.382 18049
2101 1 5 . 1 1 71 71 LYS CB C 71 33.520 33.520 30.963 2.557 18049
2102 1 5 . 1 1 71 71 LYS H H 71 8.505 8.505 7.325 1.180 18049
2103 1 5 . 1 1 74 74 LYS CA C 74 56.238 56.238 55.929 0.309 18049
2104 1 5 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.283 -2.040 18049
2105 1 5 . 1 1 75 75 HIS N N 75 111.915 111.915 123.040 -11.125 18049
2106 1 5 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.819 -0.359 18049
2107 1 5 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.411 -3.156 18049
2108 1 5 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.805 -2.104 18049
2109 1 5 . 1 1 75 75 HIS H H 75 6.732 6.732 8.805 -2.073 18049
2110 1 5 . 1 1 78 78 GLU N N 78 118.980 118.980 116.429 2.551 18049
2111 1 5 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.267 -0.257 18049
2112 1 5 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.607 -1.127 18049
2113 1 5 . 1 1 78 78 GLU CB C 78 34.350 34.350 30.878 3.472 18049
2114 1 5 . 1 1 78 78 GLU H H 78 8.831 8.831 7.943 0.888 18049
2115 1 5 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.384 -0.104 18049
2116 1 5 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.299 -2.787 18049
2117 1 5 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.135 -2.621 18049
2118 1 5 . 1 1 82 82 SER N N 82 116.172 116.172 114.370 1.802 18049
2119 1 5 . 1 1 82 82 SER HA H 82 4.105 4.105 4.628 -0.523 18049
2120 1 5 . 1 1 82 82 SER CA C 82 58.317 58.317 58.054 0.263 18049
2121 1 5 . 1 1 82 82 SER CB C 82 60.104 60.104 64.797 -4.693 18049
2122 1 5 . 1 1 82 82 SER H H 82 8.684 8.684 7.871 0.813 18049
2123 1 5 . 1 1 83 83 ILE N N 83 118.847 118.847 123.830 -4.983 18049
2124 1 5 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.542 -1.374 18049
2125 1 5 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.210 -0.728 18049
2126 1 5 . 1 1 83 83 ILE H H 83 7.424 7.424 8.204 -0.780 18049
2127 1 5 . 1 1 84 84 TRP N N 84 115.140 115.140 126.818 -11.678 18049
2128 1 5 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.267 -2.675 18049
2129 1 5 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.174 -4.306 18049
2130 1 5 . 1 1 84 84 TRP H H 84 8.131 8.131 8.343 -0.212 18049
2131 1 5 . 1 1 85 85 ARG N N 85 118.936 118.936 121.091 -2.155 18049
2132 1 5 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.756 -5.538 18049
2133 1 5 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.138 -0.808 18049
2134 1 5 . 1 1 85 85 ARG H H 85 7.884 7.884 7.238 0.646 18049
2135 1 5 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.427 -0.457 18049
2136 1 5 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.330 -1.310 18049
2137 1 5 . 1 1 86 86 ALA CB C 86 16.400 16.400 20.114 -3.714 18049
2138 1 5 . 1 1 87 87 TYR N N 87 117.965 117.965 118.129 -0.164 18049
2139 1 5 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.957 -0.501 18049
2140 1 5 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.460 -2.532 18049
2141 1 5 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.659 0.353 18049
2142 1 5 . 1 1 87 87 TYR H H 87 7.733 7.733 7.617 0.116 18049
2143 1 5 . 1 1 89 89 LEU CA C 89 55.641 55.641 56.326 -0.685 18049
2144 1 5 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.768 -5.969 18049
2145 1 5 . 1 1 90 90 VAL N N 90 118.969 118.969 121.510 -2.541 18049
2146 1 5 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.741 -3.631 18049
2147 1 5 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.745 -2.618 18049
2148 1 5 . 1 1 90 90 VAL H H 90 8.944 8.944 8.183 0.761 18049
2149 1 5 . 1 1 91 91 ASP N N 91 127.947 127.947 121.801 6.146 18049
2150 1 5 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.889 -3.921 18049
2151 1 5 . 1 1 91 91 ASP CB C 91 38.862 38.862 39.703 -0.841 18049
2152 1 5 . 1 1 91 91 ASP H H 91 8.320 8.320 8.332 -0.012 18049
2153 1 5 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.702 -2.684 18049
2154 1 5 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.915 -3.468 18049
2155 1 5 . 1 1 93 93 ASN N N 93 118.727 118.727 119.338 -0.611 18049
2156 1 5 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.157 -2.003 18049
2157 1 5 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.153 -2.782 18049
2158 1 5 . 1 1 93 93 ASN H H 93 8.396 8.396 8.519 -0.123 18049
2159 1 5 . 1 1 94 94 GLU N N 94 120.824 120.824 121.087 -0.263 18049
2160 1 5 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.904 -1.514 18049
2161 1 5 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.466 -4.196 18049
2162 1 5 . 1 1 94 94 GLU H H 94 8.266 8.266 7.882 0.384 18049
2163 1 5 . 1 1 95 95 LYS N N 95 121.079 121.079 122.887 -1.808 18049
2164 1 5 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.694 -0.538 18049
2165 1 5 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.549 -1.708 18049
2166 1 5 . 1 1 95 95 LYS CB C 95 30.173 30.173 34.285 -4.112 18049
2167 1 5 . 1 1 95 95 LYS H H 95 8.055 8.055 8.467 -0.412 18049
2168 1 5 . 1 1 96 96 ALA N N 96 124.103 124.103 125.996 -1.893 18049
2169 1 5 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.511 -0.309 18049
2170 1 5 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.853 -2.127 18049
2171 1 5 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.548 -2.796 18049
2172 1 5 . 1 1 96 96 ALA H H 96 8.053 8.053 8.464 -0.411 18049
2173 1 5 . 1 1 97 97 LYS N N 97 121.893 121.893 121.188 0.705 18049
2174 1 5 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.496 0.389 18049
2175 1 5 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.881 -3.422 18049
2176 1 5 . 1 1 97 97 LYS H H 97 8.091 8.091 8.533 -0.442 18049
2177 1 5 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.522 -0.086 18049
2178 1 5 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.037 -3.012 18049
2179 1 5 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.387 -2.845 18049
2180 1 5 . 1 1 99 99 LYS N N 99 121.497 121.497 121.422 0.075 18049
2181 1 5 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.558 -0.193 18049
2182 1 5 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.774 -3.115 18049
2183 1 5 . 1 1 99 99 LYS CB C 99 31.973 31.973 34.529 -2.557 18049
2184 1 5 . 1 1 99 99 LYS H H 99 8.241 8.241 8.299 -0.058 18049
2185 1 5 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.804 -0.537 18049
2186 1 5 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.324 -1.921 18049
2187 1 5 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.401 -2.945 18049
2188 1 5 . 1 1 103 103 PHE N N 103 118.755 118.755 121.752 -2.997 18049
2189 1 5 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.303 -1.244 18049
2190 1 5 . 1 1 103 103 PHE H H 103 8.675 8.675 8.335 0.340 18049
2191 1 5 . 1 1 105 105 THR HA H 105 4.630 4.630 3.872 0.758 18049
2192 1 5 . 1 1 105 105 THR CA C 105 59.356 59.356 63.002 -3.646 18049
2193 1 5 . 1 1 105 105 THR CB C 105 67.299 67.299 68.408 -1.109 18049
2194 1 5 . 1 1 106 106 ILE N N 106 124.035 124.035 116.549 7.486 18049
2195 1 5 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.547 0.084 18049
2196 1 5 . 1 1 106 106 ILE CA C 106 57.730 57.730 59.325 -1.595 18049
2197 1 5 . 1 1 106 106 ILE CB C 106 36.907 36.907 37.904 -0.997 18049
2198 1 5 . 1 1 106 106 ILE H H 106 7.833 7.833 7.934 -0.101 18049
2199 1 5 . 1 1 107 107 TYR N N 107 118.339 118.339 117.789 0.550 18049
2200 1 5 . 1 1 107 107 TYR HA H 107 4.540 4.540 5.224 -0.684 18049
2201 1 5 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.707 -0.879 18049
2202 1 5 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.561 -3.321 18049
2203 1 5 . 1 1 107 107 TYR H H 107 8.925 8.925 7.451 1.474 18049
2204 1 5 . 1 1 108 108 CYS N N 108 130.380 130.380 119.162 11.218 18049
2205 1 5 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.849 -0.729 18049
2206 1 5 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.686 -2.736 18049
2207 1 5 . 1 1 108 108 CYS CB C 108 27.900 27.900 31.302 -3.402 18049
2208 1 5 . 1 1 108 108 CYS H H 108 8.335 8.335 8.764 -0.429 18049
2209 1 5 . 1 1 109 109 TYR N N 109 126.618 126.618 123.142 3.476 18049
2210 1 5 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.888 -0.488 18049
2211 1 5 . 1 1 109 109 TYR CA C 109 56.270 56.270 58.429 -2.159 18049
2212 1 5 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.657 -4.157 18049
2213 1 5 . 1 1 109 109 TYR H H 109 8.011 8.011 8.537 -0.526 18049
2214 1 5 . 1 1 110 110 ASN N N 110 125.398 125.398 121.318 4.080 18049
2215 1 5 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.419 0.383 18049
2216 1 5 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.856 -1.287 18049
2217 1 5 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.231 -0.309 18049
2218 1 5 . 1 1 110 110 ASN H H 110 9.284 9.284 8.567 0.717 18049
2219 1 5 . 1 1 111 111 CYS N N 111 118.921 118.921 116.184 2.737 18049
2220 1 5 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.874 0.036 18049
2221 1 5 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.108 -2.122 18049
2222 1 5 . 1 1 111 111 CYS CB C 111 30.172 30.172 28.732 1.440 18049
2223 1 5 . 1 1 111 111 CYS H H 111 9.171 9.171 7.849 1.322 18049
2224 1 5 . 1 1 112 112 GLY N N 112 114.064 114.064 109.838 4.226 18049
2225 1 5 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.559 -2.278 18049
2226 1 5 . 1 1 112 112 GLY H H 112 7.840 7.840 7.969 -0.129 18049
2227 1 5 . 1 1 113 113 GLY N N 113 112.541 112.541 106.239 6.302 18049
2228 1 5 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.728 -3.535 18049
2229 1 5 . 1 1 113 113 GLY H H 113 9.023 9.023 7.643 1.380 18049
2230 1 5 . 1 1 114 114 LYS N N 114 119.130 119.130 119.536 -0.406 18049
2231 1 5 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.972 -0.712 18049
2232 1 5 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.827 -4.077 18049
2233 1 5 . 1 1 114 114 LYS CB C 114 31.680 31.680 34.121 -2.441 18049
2234 1 5 . 1 1 114 114 LYS H H 114 8.200 8.200 8.428 -0.228 18049
2235 1 5 . 1 1 115 115 GLY N N 115 108.864 108.864 107.210 1.654 18049
2236 1 5 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.391 -2.318 18049
2237 1 5 . 1 1 115 115 GLY H H 115 8.501 8.501 8.556 -0.055 18049
2238 1 5 . 1 1 116 116 HIS N N 116 113.173 113.173 118.108 -4.935 18049
2239 1 5 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.897 -0.466 18049
2240 1 5 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.506 -2.106 18049
2241 1 5 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.345 -2.815 18049
2242 1 5 . 1 1 116 116 HIS H H 116 6.665 6.665 7.939 -1.274 18049
2243 1 5 . 1 1 117 117 PHE N N 117 116.353 116.353 120.351 -3.998 18049
2244 1 5 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.477 0.203 18049
2245 1 5 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.340 -2.256 18049
2246 1 5 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.336 1.928 18049
2247 1 5 . 1 1 117 117 PHE H H 117 8.529 8.529 8.581 -0.052 18049
2248 1 5 . 1 1 118 118 GLY N N 118 108.977 108.977 108.737 0.240 18049
2249 1 5 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.733 -1.372 18049
2250 1 5 . 1 1 118 118 GLY H H 118 8.870 8.870 8.049 0.821 18049
2251 1 5 . 1 1 119 119 ASP N N 119 117.997 117.997 119.810 -1.813 18049
2252 1 5 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.337 0.007 18049
2253 1 5 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.593 -3.089 18049
2254 1 5 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.793 -2.983 18049
2255 1 5 . 1 1 119 119 ASP H H 119 7.892 7.892 8.294 -0.402 18049
2256 1 5 . 1 1 120 120 ASP N N 120 116.782 116.782 116.336 0.446 18049
2257 1 5 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.712 0.143 18049
2258 1 5 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.366 -3.681 18049
2259 1 5 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.373 -2.174 18049
2260 1 5 . 1 1 120 120 ASP H H 120 7.730 7.730 8.306 -0.576 18049
2261 1 5 . 1 1 121 121 CYS N N 121 125.836 125.836 119.960 5.876 18049
2262 1 5 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.591 0.189 18049
2263 1 5 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.234 -2.167 18049
2264 1 5 . 1 1 121 121 CYS CB C 121 28.200 28.200 26.348 1.852 18049
2265 1 5 . 1 1 121 121 CYS H H 121 7.667 7.667 8.207 -0.540 18049
2266 1 6 . 1 1 3 3 ALA N N 3 125.353 125.353 125.161 0.192 18049
2267 1 6 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.160 0.035 18049
2268 1 6 . 1 1 3 3 ALA CA C 3 49.578 49.578 52.642 -3.064 18049
2269 1 6 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.116 -1.305 18049
2270 1 6 . 1 1 3 3 ALA H H 3 8.182 8.182 8.524 -0.342 18049
2271 1 6 . 1 1 4 4 ALA N N 4 124.707 124.707 123.390 1.317 18049
2272 1 6 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.135 0.325 18049
2273 1 6 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.709 -5.949 18049
2274 1 6 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.791 -1.993 18049
2275 1 6 . 1 1 4 4 ALA H H 4 8.151 8.151 8.669 -0.518 18049
2276 1 6 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.292 0.178 18049
2277 1 6 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.357 -4.037 18049
2278 1 6 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.850 -2.050 18049
2279 1 6 . 1 1 6 6 LYS N N 6 121.400 121.400 117.640 3.760 18049
2280 1 6 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.009 0.254 18049
2281 1 6 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.460 -5.830 18049
2282 1 6 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.531 0.469 18049
2283 1 6 . 1 1 6 6 LYS H H 6 8.230 8.230 8.547 -0.317 18049
2284 1 6 . 1 1 7 7 CYS N N 7 128.995 128.995 116.248 12.747 18049
2285 1 6 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.873 -0.759 18049
2286 1 6 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.379 -0.359 18049
2287 1 6 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.824 -3.104 18049
2288 1 6 . 1 1 7 7 CYS H H 7 8.354 8.354 8.302 0.052 18049
2289 1 6 . 1 1 8 8 ASN N N 8 127.325 127.325 121.841 5.484 18049
2290 1 6 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.603 0.102 18049
2291 1 6 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.355 -3.445 18049
2292 1 6 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.727 -2.797 18049
2293 1 6 . 1 1 8 8 ASN H H 8 8.659 8.659 8.744 -0.085 18049
2294 1 6 . 1 1 9 9 ASN N N 9 122.394 122.394 115.277 7.117 18049
2295 1 6 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.697 0.103 18049
2296 1 6 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.120 0.192 18049
2297 1 6 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.685 -1.810 18049
2298 1 6 . 1 1 9 9 ASN H H 9 9.861 9.861 7.981 1.880 18049
2299 1 6 . 1 1 10 10 CYS N N 10 117.508 117.508 120.355 -2.847 18049
2300 1 6 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.758 -0.053 18049
2301 1 6 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.715 -2.365 18049
2302 1 6 . 1 1 10 10 CYS CB C 10 29.540 29.540 29.307 0.233 18049
2303 1 6 . 1 1 10 10 CYS H H 10 8.814 8.814 7.949 0.865 18049
2304 1 6 . 1 1 11 11 SER N N 11 115.934 115.934 113.738 2.196 18049
2305 1 6 . 1 1 11 11 SER HA H 11 4.150 4.150 4.530 -0.380 18049
2306 1 6 . 1 1 11 11 SER CA C 11 58.769 58.769 58.161 0.608 18049
2307 1 6 . 1 1 11 11 SER CB C 11 59.635 59.635 63.299 -3.664 18049
2308 1 6 . 1 1 11 11 SER H H 11 7.821 7.821 8.191 -0.370 18049
2309 1 6 . 1 1 12 12 GLN N N 12 120.325 120.325 119.442 0.883 18049
2310 1 6 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.657 -0.296 18049
2311 1 6 . 1 1 12 12 GLN CA C 12 52.870 52.870 54.602 -1.732 18049
2312 1 6 . 1 1 12 12 GLN CB C 12 27.913 27.913 31.374 -3.461 18049
2313 1 6 . 1 1 12 12 GLN H H 12 8.311 8.311 7.950 0.361 18049
2314 1 6 . 1 1 13 13 ARG N N 13 118.657 118.657 123.542 -4.885 18049
2315 1 6 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.622 -0.254 18049
2316 1 6 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.771 -3.741 18049
2317 1 6 . 1 1 13 13 ARG CB C 13 32.300 32.300 29.620 2.680 18049
2318 1 6 . 1 1 13 13 ARG H H 13 8.430 8.430 8.744 -0.314 18049
2319 1 6 . 1 1 14 14 GLY N N 14 107.015 107.015 107.051 -0.036 18049
2320 1 6 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.202 -2.472 18049
2321 1 6 . 1 1 14 14 GLY H H 14 8.706 8.706 8.219 0.487 18049
2322 1 6 . 1 1 15 15 HIS N N 15 113.397 113.397 117.484 -4.087 18049
2323 1 6 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.826 -0.226 18049
2324 1 6 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.499 -1.063 18049
2325 1 6 . 1 1 15 15 HIS CB C 15 27.887 27.887 29.174 -1.288 18049
2326 1 6 . 1 1 15 15 HIS H H 15 6.998 6.998 7.531 -0.533 18049
2327 1 6 . 1 1 16 16 LEU N N 16 117.239 117.239 121.283 -4.044 18049
2328 1 6 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.456 0.129 18049
2329 1 6 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.599 -4.070 18049
2330 1 6 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.519 -0.323 18049
2331 1 6 . 1 1 16 16 LEU H H 16 8.614 8.614 8.312 0.302 18049
2332 1 6 . 1 1 17 17 LYS N N 17 122.561 122.561 121.370 1.191 18049
2333 1 6 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.990 0.790 18049
2334 1 6 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.668 -1.904 18049
2335 1 6 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.608 -1.807 18049
2336 1 6 . 1 1 17 17 LYS H H 17 8.681 8.681 8.654 0.027 18049
2337 1 6 . 1 1 18 18 LYS N N 18 117.626 117.626 111.715 5.911 18049
2338 1 6 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.147 -0.043 18049
2339 1 6 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.091 -2.272 18049
2340 1 6 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.983 -3.228 18049
2341 1 6 . 1 1 18 18 LYS H H 18 8.320 8.320 8.079 0.241 18049
2342 1 6 . 1 1 19 19 ASP N N 19 118.071 118.071 118.677 -0.606 18049
2343 1 6 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.762 0.088 18049
2344 1 6 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.656 -4.824 18049
2345 1 6 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.842 -1.942 18049
2346 1 6 . 1 1 19 19 ASP H H 19 7.770 7.770 7.766 0.004 18049
2347 1 6 . 1 1 20 20 CYS N N 20 123.265 123.265 118.708 4.557 18049
2348 1 6 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.194 -0.492 18049
2349 1 6 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.452 -0.896 18049
2350 1 6 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.075 1.421 18049
2351 1 6 . 1 1 20 20 CYS H H 20 7.275 7.275 8.020 -0.745 18049
2352 1 6 . 1 1 21 21 PRO CA C 21 58.900 58.900 62.538 -3.639 18049
2353 1 6 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.261 -1.542 18049
2354 1 6 . 1 1 22 22 HIS N N 22 121.576 121.576 120.215 1.361 18049
2355 1 6 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.637 -4.153 18049
2356 1 6 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.809 -2.976 18049
2357 1 6 . 1 1 22 22 HIS H H 22 7.882 7.882 8.547 -0.665 18049
2358 1 6 . 1 1 23 23 ILE N N 23 117.100 117.100 125.984 -8.884 18049
2359 1 6 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.178 -0.008 18049
2360 1 6 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.062 -2.642 18049
2361 1 6 . 1 1 23 23 ILE CB C 23 36.980 36.980 39.313 -2.333 18049
2362 1 6 . 1 1 23 23 ILE H H 23 8.660 8.660 8.165 0.495 18049
2363 1 6 . 1 1 24 24 ILE N N 24 126.524 126.524 123.826 2.698 18049
2364 1 6 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.219 -0.269 18049
2365 1 6 . 1 1 24 24 ILE CA C 24 56.690 56.690 61.428 -4.738 18049
2366 1 6 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.540 -1.364 18049
2367 1 6 . 1 1 24 24 ILE H H 24 8.486 8.486 8.077 0.409 18049
2368 1 6 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.502 -3.487 18049
2369 1 6 . 1 1 25 25 CYS CB C 25 27.273 27.273 26.377 0.896 18049
2370 1 6 . 1 1 26 26 SER N N 26 127.811 127.811 113.905 13.906 18049
2371 1 6 . 1 1 26 26 SER HA H 26 4.050 4.050 3.982 0.068 18049
2372 1 6 . 1 1 26 26 SER CA C 26 58.170 58.170 58.628 -0.458 18049
2373 1 6 . 1 1 26 26 SER CB C 26 60.523 60.523 63.114 -2.591 18049
2374 1 6 . 1 1 26 26 SER H H 26 9.491 9.491 7.672 1.819 18049
2375 1 6 . 1 1 27 27 TYR N N 27 124.378 124.378 116.890 7.488 18049
2376 1 6 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.097 0.428 18049
2377 1 6 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.110 -1.220 18049
2378 1 6 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.047 0.046 18049
2379 1 6 . 1 1 27 27 TYR H H 27 9.389 9.389 8.162 1.227 18049
2380 1 6 . 1 1 28 28 CYS N N 28 126.900 126.900 118.369 8.531 18049
2381 1 6 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.287 -2.366 18049
2382 1 6 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.086 1.112 18049
2383 1 6 . 1 1 28 28 CYS H H 28 8.490 8.490 7.535 0.955 18049
2384 1 6 . 1 1 29 29 GLY N N 29 113.271 113.271 115.410 -2.139 18049
2385 1 6 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.419 -1.071 18049
2386 1 6 . 1 1 29 29 GLY H H 29 7.792 7.792 8.366 -0.574 18049
2387 1 6 . 1 1 30 30 ALA N N 30 124.805 124.805 122.074 2.731 18049
2388 1 6 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.651 -0.532 18049
2389 1 6 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.129 1.011 18049
2390 1 6 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.811 -3.091 18049
2391 1 6 . 1 1 30 30 ALA H H 30 8.541 8.541 7.847 0.694 18049
2392 1 6 . 1 1 31 31 THR N N 31 118.352 118.352 117.455 0.897 18049
2393 1 6 . 1 1 31 31 THR CA C 31 58.082 58.082 64.513 -6.431 18049
2394 1 6 . 1 1 31 31 THR CB C 31 67.072 67.072 68.759 -1.687 18049
2395 1 6 . 1 1 31 31 THR H H 31 8.544 8.544 8.616 -0.072 18049
2396 1 6 . 1 1 32 32 ASP N N 32 123.222 123.222 117.023 6.199 18049
2397 1 6 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.625 -0.582 18049
2398 1 6 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.613 -1.464 18049
2399 1 6 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.393 -4.946 18049
2400 1 6 . 1 1 32 32 ASP H H 32 9.768 9.768 7.996 1.772 18049
2401 1 6 . 1 1 33 33 ASP N N 33 116.889 116.889 119.322 -2.433 18049
2402 1 6 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.585 -1.265 18049
2403 1 6 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.665 1.525 18049
2404 1 6 . 1 1 33 33 ASP H H 33 8.111 8.111 7.707 0.404 18049
2405 1 6 . 1 1 34 34 HIS N N 34 110.849 110.849 122.989 -12.140 18049
2406 1 6 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.539 -3.349 18049
2407 1 6 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.935 5.835 18049
2408 1 6 . 1 1 34 34 HIS H H 34 6.959 6.959 8.325 -1.366 18049
2409 1 6 . 1 1 35 35 TYR N N 35 117.529 117.529 125.656 -8.127 18049
2410 1 6 . 1 1 35 35 TYR CA C 35 54.137 54.137 57.048 -2.912 18049
2411 1 6 . 1 1 35 35 TYR CB C 35 37.567 37.567 40.879 -3.312 18049
2412 1 6 . 1 1 35 35 TYR H H 35 8.813 8.813 7.872 0.941 18049
2413 1 6 . 1 1 36 36 SER N N 36 121.984 121.984 118.076 3.908 18049
2414 1 6 . 1 1 36 36 SER CA C 36 57.520 57.520 59.901 -2.381 18049
2415 1 6 . 1 1 36 36 SER CB C 36 59.800 59.800 62.866 -3.066 18049
2416 1 6 . 1 1 36 36 SER H H 36 8.518 8.518 7.555 0.963 18049
2417 1 6 . 1 1 37 37 ARG N N 37 119.707 119.707 120.125 -0.418 18049
2418 1 6 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.731 -6.061 18049
2419 1 6 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.635 -3.542 18049
2420 1 6 . 1 1 37 37 ARG H H 37 7.963 7.963 7.651 0.312 18049
2421 1 6 . 1 1 38 38 HIS N N 38 125.394 125.394 116.537 8.857 18049
2422 1 6 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.546 0.730 18049
2423 1 6 . 1 1 38 38 HIS H H 38 7.443 7.443 7.859 -0.416 18049
2424 1 6 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.109 0.341 18049
2425 1 6 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.730 -12.050 18049
2426 1 6 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.600 1.640 18049
2427 1 6 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.433 -0.123 18049
2428 1 6 . 1 1 40 40 PRO CA C 40 60.440 60.440 62.437 -1.997 18049
2429 1 6 . 1 1 40 40 PRO CB C 40 30.300 30.300 29.901 0.399 18049
2430 1 6 . 1 1 41 41 LYS N N 41 121.400 121.400 118.484 2.916 18049
2431 1 6 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.403 -0.324 18049
2432 1 6 . 1 1 41 41 LYS CA C 41 53.680 53.680 54.695 -1.015 18049
2433 1 6 . 1 1 41 41 LYS CB C 41 29.641 29.641 33.609 -3.968 18049
2434 1 6 . 1 1 41 41 LYS H H 41 8.650 8.650 7.833 0.817 18049
2435 1 6 . 1 1 42 42 ALA N N 42 122.096 122.096 121.146 0.950 18049
2436 1 6 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.030 -0.511 18049
2437 1 6 . 1 1 42 42 ALA CA C 42 49.591 49.591 54.610 -5.019 18049
2438 1 6 . 1 1 42 42 ALA CB C 42 16.456 16.456 17.453 -0.997 18049
2439 1 6 . 1 1 42 42 ALA H H 42 7.201 7.201 8.572 -1.371 18049
2440 1 6 . 1 1 43 43 ILE N N 43 119.646 119.646 119.699 -0.053 18049
2441 1 6 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.292 -0.561 18049
2442 1 6 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.388 -2.422 18049
2443 1 6 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.403 -0.426 18049
2444 1 6 . 1 1 43 43 ILE H H 43 7.086 7.086 7.847 -0.761 18049
2445 1 6 . 1 1 44 44 GLN N N 44 125.541 125.541 119.556 5.985 18049
2446 1 6 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.754 -0.322 18049
2447 1 6 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.469 -2.733 18049
2448 1 6 . 1 1 44 44 GLN CB C 44 28.084 28.084 33.593 -5.509 18049
2449 1 6 . 1 1 44 44 GLN H H 44 7.980 7.980 7.483 0.497 18049
2450 1 6 . 1 1 45 45 CYS N N 45 130.678 130.678 118.357 12.321 18049
2451 1 6 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.859 -0.739 18049
2452 1 6 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.674 0.656 18049
2453 1 6 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.473 -2.473 18049
2454 1 6 . 1 1 45 45 CYS H H 45 8.353 8.353 8.593 -0.240 18049
2455 1 6 . 1 1 46 46 SER N N 46 124.273 124.273 120.152 4.121 18049
2456 1 6 . 1 1 46 46 SER HA H 46 4.334 4.334 4.210 0.124 18049
2457 1 6 . 1 1 46 46 SER CA C 46 56.923 56.923 60.654 -3.731 18049
2458 1 6 . 1 1 46 46 SER CB C 46 60.400 60.400 62.707 -2.307 18049
2459 1 6 . 1 1 46 46 SER H H 46 8.466 8.466 8.822 -0.356 18049
2460 1 6 . 1 1 47 47 LYS N N 47 127.929 127.929 120.235 7.694 18049
2461 1 6 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.240 0.120 18049
2462 1 6 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.682 -0.362 18049
2463 1 6 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.909 -1.609 18049
2464 1 6 . 1 1 47 47 LYS H H 47 9.720 9.720 8.216 1.504 18049
2465 1 6 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.587 0.003 18049
2466 1 6 . 1 1 48 48 CYS CA C 48 51.500 51.500 58.708 -7.208 18049
2467 1 6 . 1 1 48 48 CYS CB C 48 28.100 28.100 29.912 -1.812 18049
2468 1 6 . 1 1 48 48 CYS H H 48 8.600 8.600 7.736 0.864 18049
2469 1 6 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.339 0.371 18049
2470 1 6 . 1 1 49 49 ASP CA C 49 54.300 54.300 56.657 -2.357 18049
2471 1 6 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.643 0.557 18049
2472 1 6 . 1 1 49 49 ASP H H 49 8.830 8.830 8.440 0.390 18049
2473 1 6 . 1 1 50 50 GLU N N 50 118.700 118.700 114.814 3.886 18049
2474 1 6 . 1 1 50 50 GLU HA H 50 4.295 4.295 3.948 0.347 18049
2475 1 6 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.413 -3.073 18049
2476 1 6 . 1 1 50 50 GLU CB C 50 28.500 28.500 28.806 -0.306 18049
2477 1 6 . 1 1 50 50 GLU H H 50 8.226 8.226 8.769 -0.543 18049
2478 1 6 . 1 1 51 51 VAL N N 51 118.593 118.593 115.323 3.270 18049
2479 1 6 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.293 -0.020 18049
2480 1 6 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.160 -3.780 18049
2481 1 6 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.839 -1.589 18049
2482 1 6 . 1 1 51 51 VAL H H 51 8.216 8.216 8.047 0.169 18049
2483 1 6 . 1 1 52 52 GLY N N 52 110.908 110.908 106.407 4.501 18049
2484 1 6 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.297 -2.607 18049
2485 1 6 . 1 1 52 52 GLY H H 52 8.630 8.630 8.636 -0.006 18049
2486 1 6 . 1 1 53 53 HIS N N 53 113.633 113.633 115.266 -1.633 18049
2487 1 6 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.642 -0.052 18049
2488 1 6 . 1 1 53 53 HIS CA C 53 52.450 52.450 53.579 -1.129 18049
2489 1 6 . 1 1 53 53 HIS CB C 53 28.040 28.040 31.570 -3.530 18049
2490 1 6 . 1 1 53 53 HIS H H 53 6.855 6.855 7.361 -0.506 18049
2491 1 6 . 1 1 54 54 TYR N N 54 115.154 115.154 117.983 -2.829 18049
2492 1 6 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.114 0.056 18049
2493 1 6 . 1 1 54 54 TYR CA C 54 53.800 53.800 59.137 -5.337 18049
2494 1 6 . 1 1 54 54 TYR CB C 54 36.629 36.629 36.904 -0.275 18049
2495 1 6 . 1 1 54 54 TYR H H 54 8.054 8.054 8.761 -0.707 18049
2496 1 6 . 1 1 55 55 ARG N N 55 126.509 126.509 122.938 3.571 18049
2497 1 6 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.914 -0.315 18049
2498 1 6 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.355 -1.532 18049
2499 1 6 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.645 -2.425 18049
2500 1 6 . 1 1 55 55 ARG H H 55 8.490 8.490 8.873 -0.383 18049
2501 1 6 . 1 1 56 56 SER N N 56 116.450 116.450 109.981 6.469 18049
2502 1 6 . 1 1 56 56 SER CA C 56 56.523 56.523 59.908 -3.385 18049
2503 1 6 . 1 1 56 56 SER CB C 56 62.261 62.261 61.752 0.509 18049
2504 1 6 . 1 1 56 56 SER H H 56 8.247 8.247 8.464 -0.217 18049
2505 1 6 . 1 1 57 57 GLN N N 57 124.678 124.678 116.278 8.400 18049
2506 1 6 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.505 -0.331 18049
2507 1 6 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.845 -2.235 18049
2508 1 6 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.749 -4.689 18049
2509 1 6 . 1 1 57 57 GLN H H 57 8.702 8.702 7.975 0.727 18049
2510 1 6 . 1 1 58 58 CYS N N 58 126.577 126.577 118.335 8.242 18049
2511 1 6 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.183 0.233 18049
2512 1 6 . 1 1 58 58 CYS CA C 58 55.001 55.001 61.144 -6.143 18049
2513 1 6 . 1 1 58 58 CYS CB C 58 31.080 31.080 26.623 4.457 18049
2514 1 6 . 1 1 58 58 CYS H H 58 7.694 7.694 8.123 -0.429 18049
2515 1 6 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.913 2.877 18049
2516 1 6 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.650 -2.239 18049
2517 1 6 . 1 1 63 63 LYS N N 63 121.641 121.641 120.846 0.795 18049
2518 1 6 . 1 1 63 63 LYS CA C 63 52.372 52.372 55.454 -3.082 18049
2519 1 6 . 1 1 63 63 LYS CB C 63 27.792 27.792 34.021 -6.229 18049
2520 1 6 . 1 1 63 63 LYS H H 63 8.033 8.033 8.272 -0.239 18049
2521 1 6 . 1 1 64 64 LYS N N 64 111.775 111.775 120.598 -8.823 18049
2522 1 6 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.537 -1.794 18049
2523 1 6 . 1 1 64 64 LYS H H 64 8.104 8.104 8.206 -0.102 18049
2524 1 6 . 1 1 65 65 VAL N N 65 122.037 122.037 117.636 4.401 18049
2525 1 6 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.240 -0.200 18049
2526 1 6 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.904 -2.614 18049
2527 1 6 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.974 -3.563 18049
2528 1 6 . 1 1 65 65 VAL H H 65 8.306 8.306 8.245 0.061 18049
2529 1 6 . 1 1 66 66 GLN N N 66 121.994 121.994 121.143 0.851 18049
2530 1 6 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.619 -4.016 18049
2531 1 6 . 1 1 66 66 GLN CB C 66 30.300 30.300 27.624 2.676 18049
2532 1 6 . 1 1 66 66 GLN H H 66 8.360 8.360 8.736 -0.376 18049
2533 1 6 . 1 1 67 67 CYS N N 67 121.582 121.582 117.324 4.258 18049
2534 1 6 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.620 -0.581 18049
2535 1 6 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.467 -0.252 18049
2536 1 6 . 1 1 67 67 CYS CB C 67 30.532 30.532 26.933 3.599 18049
2537 1 6 . 1 1 67 67 CYS H H 67 8.032 8.032 7.895 0.137 18049
2538 1 6 . 1 1 68 68 THR HA H 68 4.046 4.046 3.919 0.127 18049
2539 1 6 . 1 1 68 68 THR CA C 68 61.228 61.228 65.118 -3.890 18049
2540 1 6 . 1 1 68 68 THR CB C 68 65.371 65.371 67.727 -2.356 18049
2541 1 6 . 1 1 69 69 LEU N N 69 124.335 124.335 118.407 5.928 18049
2542 1 6 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.226 0.156 18049
2543 1 6 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.046 -0.617 18049
2544 1 6 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.354 -2.564 18049
2545 1 6 . 1 1 69 69 LEU H H 69 9.024 9.024 7.425 1.599 18049
2546 1 6 . 1 1 70 70 CYS N N 70 118.876 118.876 116.970 1.906 18049
2547 1 6 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.379 -0.043 18049
2548 1 6 . 1 1 70 70 CYS CA C 70 53.145 53.145 60.087 -6.942 18049
2549 1 6 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.622 1.241 18049
2550 1 6 . 1 1 70 70 CYS H H 70 8.716 8.716 7.528 1.188 18049
2551 1 6 . 1 1 71 71 LYS N N 71 122.961 122.961 118.902 4.059 18049
2552 1 6 . 1 1 71 71 LYS HA H 71 4.167 4.167 3.875 0.292 18049
2553 1 6 . 1 1 71 71 LYS CA C 71 53.835 53.835 57.780 -3.945 18049
2554 1 6 . 1 1 71 71 LYS CB C 71 33.520 33.520 31.445 2.075 18049
2555 1 6 . 1 1 71 71 LYS H H 71 8.505 8.505 8.739 -0.234 18049
2556 1 6 . 1 1 74 74 LYS CA C 74 56.238 56.238 59.029 -2.791 18049
2557 1 6 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.536 -1.293 18049
2558 1 6 . 1 1 75 75 HIS N N 75 111.915 111.915 117.566 -5.651 18049
2559 1 6 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.433 0.027 18049
2560 1 6 . 1 1 75 75 HIS CA C 75 52.255 52.255 58.090 -5.835 18049
2561 1 6 . 1 1 75 75 HIS CB C 75 28.700 28.700 29.897 -1.197 18049
2562 1 6 . 1 1 75 75 HIS H H 75 6.732 6.732 8.296 -1.564 18049
2563 1 6 . 1 1 78 78 GLU N N 78 118.980 118.980 120.007 -1.027 18049
2564 1 6 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.937 0.073 18049
2565 1 6 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.194 -1.714 18049
2566 1 6 . 1 1 78 78 GLU CB C 78 34.350 34.350 27.905 6.445 18049
2567 1 6 . 1 1 78 78 GLU H H 78 8.831 8.831 9.019 -0.188 18049
2568 1 6 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.454 -0.174 18049
2569 1 6 . 1 1 81 81 PRO CA C 81 61.512 61.512 62.579 -1.067 18049
2570 1 6 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.293 -2.779 18049
2571 1 6 . 1 1 82 82 SER N N 82 116.172 116.172 114.467 1.705 18049
2572 1 6 . 1 1 82 82 SER HA H 82 4.105 4.105 4.484 -0.379 18049
2573 1 6 . 1 1 82 82 SER CA C 82 58.317 58.317 58.037 0.280 18049
2574 1 6 . 1 1 82 82 SER CB C 82 60.104 60.104 63.231 -3.127 18049
2575 1 6 . 1 1 82 82 SER H H 82 8.684 8.684 8.161 0.523 18049
2576 1 6 . 1 1 83 83 ILE N N 83 118.847 118.847 118.521 0.326 18049
2577 1 6 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.128 -0.960 18049
2578 1 6 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.498 -0.016 18049
2579 1 6 . 1 1 83 83 ILE H H 83 7.424 7.424 7.382 0.042 18049
2580 1 6 . 1 1 84 84 TRP N N 84 115.140 115.140 122.629 -7.489 18049
2581 1 6 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.315 -3.722 18049
2582 1 6 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.353 -3.485 18049
2583 1 6 . 1 1 84 84 TRP H H 84 8.131 8.131 8.193 -0.062 18049
2584 1 6 . 1 1 85 85 ARG N N 85 118.936 118.936 117.069 1.867 18049
2585 1 6 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.447 -4.229 18049
2586 1 6 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.244 -0.914 18049
2587 1 6 . 1 1 85 85 ARG H H 85 7.884 7.884 7.881 0.003 18049
2588 1 6 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.229 -0.259 18049
2589 1 6 . 1 1 86 86 ALA CA C 86 50.020 50.020 53.899 -3.879 18049
2590 1 6 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.275 -2.875 18049
2591 1 6 . 1 1 87 87 TYR N N 87 117.965 117.965 119.454 -1.489 18049
2592 1 6 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.652 -0.196 18049
2593 1 6 . 1 1 87 87 TYR CA C 87 54.928 54.928 56.907 -1.979 18049
2594 1 6 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.929 -0.917 18049
2595 1 6 . 1 1 87 87 TYR H H 87 7.733 7.733 7.831 -0.098 18049
2596 1 6 . 1 1 89 89 LEU CA C 89 55.641 55.641 53.987 1.654 18049
2597 1 6 . 1 1 89 89 LEU CB C 89 36.799 36.799 40.526 -3.727 18049
2598 1 6 . 1 1 90 90 VAL N N 90 118.969 118.969 114.037 4.932 18049
2599 1 6 . 1 1 90 90 VAL CA C 90 59.110 59.110 63.300 -4.190 18049
2600 1 6 . 1 1 90 90 VAL CB C 90 30.127 30.127 30.016 0.111 18049
2601 1 6 . 1 1 90 90 VAL H H 90 8.944 8.944 8.220 0.724 18049
2602 1 6 . 1 1 91 91 ASP N N 91 127.947 127.947 114.962 12.985 18049
2603 1 6 . 1 1 91 91 ASP CA C 91 49.968 49.968 55.161 -5.193 18049
2604 1 6 . 1 1 91 91 ASP CB C 91 38.862 38.862 39.678 -0.816 18049
2605 1 6 . 1 1 91 91 ASP H H 91 8.320 8.320 8.507 -0.187 18049
2606 1 6 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.470 -2.452 18049
2607 1 6 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.719 -4.272 18049
2608 1 6 . 1 1 93 93 ASN N N 93 118.727 118.727 120.027 -1.300 18049
2609 1 6 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.878 -2.725 18049
2610 1 6 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.482 -3.111 18049
2611 1 6 . 1 1 93 93 ASN H H 93 8.396 8.396 8.183 0.213 18049
2612 1 6 . 1 1 94 94 GLU N N 94 120.824 120.824 122.970 -2.146 18049
2613 1 6 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.942 -1.553 18049
2614 1 6 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.819 -4.549 18049
2615 1 6 . 1 1 94 94 GLU H H 94 8.266 8.266 8.367 -0.102 18049
2616 1 6 . 1 1 95 95 LYS N N 95 121.079 121.079 124.482 -3.403 18049
2617 1 6 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.561 -0.405 18049
2618 1 6 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.703 -1.862 18049
2619 1 6 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.311 -3.138 18049
2620 1 6 . 1 1 95 95 LYS H H 95 8.055 8.055 8.479 -0.424 18049
2621 1 6 . 1 1 96 96 ALA N N 96 124.103 124.103 124.559 -0.456 18049
2622 1 6 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.434 -0.232 18049
2623 1 6 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.508 -2.780 18049
2624 1 6 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.337 -2.585 18049
2625 1 6 . 1 1 96 96 ALA H H 96 8.053 8.053 8.254 -0.201 18049
2626 1 6 . 1 1 97 97 LYS N N 97 121.893 121.893 121.528 0.365 18049
2627 1 6 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.454 0.431 18049
2628 1 6 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.237 -2.778 18049
2629 1 6 . 1 1 97 97 LYS H H 97 8.091 8.091 8.133 -0.042 18049
2630 1 6 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.598 -0.162 18049
2631 1 6 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.400 -2.375 18049
2632 1 6 . 1 1 98 98 PRO CB C 98 29.542 29.542 33.155 -3.613 18049
2633 1 6 . 1 1 99 99 LYS N N 99 121.497 121.497 119.130 2.367 18049
2634 1 6 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.332 0.033 18049
2635 1 6 . 1 1 99 99 LYS CA C 99 52.659 52.659 57.266 -4.606 18049
2636 1 6 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.020 -1.047 18049
2637 1 6 . 1 1 99 99 LYS H H 99 8.241 8.241 8.438 -0.197 18049
2638 1 6 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.498 -0.231 18049
2639 1 6 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.116 -1.713 18049
2640 1 6 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.234 -2.777 18049
2641 1 6 . 1 1 103 103 PHE N N 103 118.755 118.755 118.854 -0.099 18049
2642 1 6 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.541 -1.482 18049
2643 1 6 . 1 1 103 103 PHE H H 103 8.675 8.675 8.149 0.526 18049
2644 1 6 . 1 1 105 105 THR HA H 105 4.630 4.630 4.381 0.249 18049
2645 1 6 . 1 1 105 105 THR CA C 105 59.356 59.356 63.009 -3.653 18049
2646 1 6 . 1 1 105 105 THR CB C 105 67.299 67.299 69.258 -1.960 18049
2647 1 6 . 1 1 106 106 ILE N N 106 124.035 124.035 121.725 2.310 18049
2648 1 6 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.228 0.403 18049
2649 1 6 . 1 1 106 106 ILE CA C 106 57.730 57.730 61.179 -3.449 18049
2650 1 6 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.471 -1.564 18049
2651 1 6 . 1 1 106 106 ILE H H 106 7.833 7.833 7.419 0.414 18049
2652 1 6 . 1 1 107 107 TYR N N 107 118.339 118.339 122.291 -3.952 18049
2653 1 6 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.721 -0.181 18049
2654 1 6 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.983 -1.155 18049
2655 1 6 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.558 -3.318 18049
2656 1 6 . 1 1 107 107 TYR H H 107 8.925 8.925 7.923 1.002 18049
2657 1 6 . 1 1 108 108 CYS N N 108 130.380 130.380 119.867 10.513 18049
2658 1 6 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.634 -0.514 18049
2659 1 6 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.389 -2.439 18049
2660 1 6 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.162 -0.262 18049
2661 1 6 . 1 1 108 108 CYS H H 108 8.335 8.335 8.584 -0.249 18049
2662 1 6 . 1 1 109 109 TYR N N 109 126.618 126.618 120.456 6.162 18049
2663 1 6 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.447 -0.047 18049
2664 1 6 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.589 -3.319 18049
2665 1 6 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.806 -3.306 18049
2666 1 6 . 1 1 109 109 TYR H H 109 8.011 8.011 8.363 -0.352 18049
2667 1 6 . 1 1 110 110 ASN N N 110 125.398 125.398 117.642 7.756 18049
2668 1 6 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.719 0.083 18049
2669 1 6 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.484 -0.915 18049
2670 1 6 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.679 -0.757 18049
2671 1 6 . 1 1 110 110 ASN H H 110 9.284 9.284 8.457 0.827 18049
2672 1 6 . 1 1 111 111 CYS N N 111 118.921 118.921 116.823 2.098 18049
2673 1 6 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.767 0.143 18049
2674 1 6 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.244 -2.258 18049
2675 1 6 . 1 1 111 111 CYS CB C 111 30.172 30.172 30.288 -0.116 18049
2676 1 6 . 1 1 111 111 CYS H H 111 9.171 9.171 7.905 1.266 18049
2677 1 6 . 1 1 112 112 GLY N N 112 114.064 114.064 108.616 5.448 18049
2678 1 6 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.663 -2.382 18049
2679 1 6 . 1 1 112 112 GLY H H 112 7.840 7.840 8.843 -1.003 18049
2680 1 6 . 1 1 113 113 GLY N N 113 112.541 112.541 106.448 6.093 18049
2681 1 6 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.986 -3.793 18049
2682 1 6 . 1 1 113 113 GLY H H 113 9.023 9.023 7.375 1.648 18049
2683 1 6 . 1 1 114 114 LYS N N 114 119.130 119.130 118.170 0.960 18049
2684 1 6 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.264 -0.004 18049
2685 1 6 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.106 -4.356 18049
2686 1 6 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.785 -1.105 18049
2687 1 6 . 1 1 114 114 LYS H H 114 8.200 8.200 8.275 -0.075 18049
2688 1 6 . 1 1 115 115 GLY N N 115 108.864 108.864 109.687 -0.823 18049
2689 1 6 . 1 1 115 115 GLY CA C 115 43.073 43.073 44.793 -1.720 18049
2690 1 6 . 1 1 115 115 GLY H H 115 8.501 8.501 8.414 0.087 18049
2691 1 6 . 1 1 116 116 HIS N N 116 113.173 113.173 116.686 -3.513 18049
2692 1 6 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.440 -0.009 18049
2693 1 6 . 1 1 116 116 HIS CA C 116 52.400 52.400 53.358 -0.958 18049
2694 1 6 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.784 -3.254 18049
2695 1 6 . 1 1 116 116 HIS H H 116 6.665 6.665 7.744 -1.079 18049
2696 1 6 . 1 1 117 117 PHE N N 117 116.353 116.353 116.089 0.264 18049
2697 1 6 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.073 0.607 18049
2698 1 6 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.388 -4.304 18049
2699 1 6 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.856 1.408 18049
2700 1 6 . 1 1 117 117 PHE H H 117 8.529 8.529 8.535 -0.006 18049
2701 1 6 . 1 1 118 118 GLY N N 118 108.977 108.977 108.167 0.810 18049
2702 1 6 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.573 -1.212 18049
2703 1 6 . 1 1 118 118 GLY H H 118 8.870 8.870 8.848 0.022 18049
2704 1 6 . 1 1 119 119 ASP N N 119 117.997 117.997 121.277 -3.280 18049
2705 1 6 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.467 -0.123 18049
2706 1 6 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.733 -3.229 18049
2707 1 6 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.605 -2.795 18049
2708 1 6 . 1 1 119 119 ASP H H 119 7.892 7.892 8.662 -0.770 18049
2709 1 6 . 1 1 120 120 ASP N N 120 116.782 116.782 117.436 -0.654 18049
2710 1 6 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.634 0.221 18049
2711 1 6 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.103 -3.418 18049
2712 1 6 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.014 -1.815 18049
2713 1 6 . 1 1 120 120 ASP H H 120 7.730 7.730 7.914 -0.184 18049
2714 1 6 . 1 1 121 121 CYS N N 121 125.836 125.836 120.072 5.764 18049
2715 1 6 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.304 0.476 18049
2716 1 6 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.366 -3.299 18049
2717 1 6 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.533 0.667 18049
2718 1 6 . 1 1 121 121 CYS H H 121 7.667 7.667 8.069 -0.402 18049
2719 1 7 . 1 1 3 3 ALA N N 3 125.353 125.353 127.929 -2.576 18049
2720 1 7 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.494 -0.299 18049
2721 1 7 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.365 -1.787 18049
2722 1 7 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.379 -1.568 18049
2723 1 7 . 1 1 3 3 ALA H H 3 8.182 8.182 8.539 -0.357 18049
2724 1 7 . 1 1 4 4 ALA N N 4 124.707 124.707 127.825 -3.118 18049
2725 1 7 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.315 0.145 18049
2726 1 7 . 1 1 4 4 ALA CA C 4 47.760 47.760 54.513 -6.753 18049
2727 1 7 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.037 -1.239 18049
2728 1 7 . 1 1 4 4 ALA H H 4 8.151 8.151 8.053 0.098 18049
2729 1 7 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.356 0.114 18049
2730 1 7 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.629 -4.309 18049
2731 1 7 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.821 -2.021 18049
2732 1 7 . 1 1 6 6 LYS N N 6 121.400 121.400 116.958 4.442 18049
2733 1 7 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.896 0.367 18049
2734 1 7 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.968 -5.338 18049
2735 1 7 . 1 1 6 6 LYS CB C 6 32.000 32.000 30.829 1.171 18049
2736 1 7 . 1 1 6 6 LYS H H 6 8.230 8.230 8.745 -0.515 18049
2737 1 7 . 1 1 7 7 CYS N N 7 128.995 128.995 115.800 13.195 18049
2738 1 7 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.483 -0.369 18049
2739 1 7 . 1 1 7 7 CYS CA C 7 57.020 57.020 58.447 -1.427 18049
2740 1 7 . 1 1 7 7 CYS CB C 7 27.720 27.720 31.082 -3.362 18049
2741 1 7 . 1 1 7 7 CYS H H 7 8.354 8.354 7.990 0.364 18049
2742 1 7 . 1 1 8 8 ASN N N 8 127.325 127.325 120.246 7.079 18049
2743 1 7 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.475 0.230 18049
2744 1 7 . 1 1 8 8 ASN CA C 8 51.910 51.910 54.916 -3.006 18049
2745 1 7 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.215 -3.285 18049
2746 1 7 . 1 1 8 8 ASN H H 8 8.659 8.659 8.324 0.335 18049
2747 1 7 . 1 1 9 9 ASN N N 9 122.394 122.394 117.618 4.776 18049
2748 1 7 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.667 0.133 18049
2749 1 7 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.480 -0.168 18049
2750 1 7 . 1 1 9 9 ASN CB C 9 37.875 37.875 38.592 -0.717 18049
2751 1 7 . 1 1 9 9 ASN H H 9 9.861 9.861 8.345 1.516 18049
2752 1 7 . 1 1 10 10 CYS N N 10 117.508 117.508 119.367 -1.859 18049
2753 1 7 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.393 0.312 18049
2754 1 7 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.967 -2.617 18049
2755 1 7 . 1 1 10 10 CYS CB C 10 29.540 29.540 30.101 -0.561 18049
2756 1 7 . 1 1 10 10 CYS H H 10 8.814 8.814 7.742 1.072 18049
2757 1 7 . 1 1 11 11 SER N N 11 115.934 115.934 115.505 0.429 18049
2758 1 7 . 1 1 11 11 SER HA H 11 4.150 4.150 4.523 -0.373 18049
2759 1 7 . 1 1 11 11 SER CA C 11 58.769 58.769 57.729 1.040 18049
2760 1 7 . 1 1 11 11 SER CB C 11 59.635 59.635 63.561 -3.926 18049
2761 1 7 . 1 1 11 11 SER H H 11 7.821 7.821 8.121 -0.300 18049
2762 1 7 . 1 1 12 12 GLN N N 12 120.325 120.325 121.983 -1.658 18049
2763 1 7 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.343 0.018 18049
2764 1 7 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.440 -2.570 18049
2765 1 7 . 1 1 12 12 GLN CB C 12 27.913 27.913 29.921 -2.008 18049
2766 1 7 . 1 1 12 12 GLN H H 12 8.311 8.311 7.816 0.495 18049
2767 1 7 . 1 1 13 13 ARG N N 13 118.657 118.657 120.715 -2.058 18049
2768 1 7 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.328 0.040 18049
2769 1 7 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.824 -2.794 18049
2770 1 7 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.167 2.133 18049
2771 1 7 . 1 1 13 13 ARG H H 13 8.430 8.430 8.584 -0.154 18049
2772 1 7 . 1 1 14 14 GLY N N 14 107.015 107.015 112.923 -5.908 18049
2773 1 7 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.270 -1.540 18049
2774 1 7 . 1 1 14 14 GLY H H 14 8.706 8.706 7.933 0.773 18049
2775 1 7 . 1 1 15 15 HIS N N 15 113.397 113.397 114.431 -1.034 18049
2776 1 7 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.225 0.375 18049
2777 1 7 . 1 1 15 15 HIS CA C 15 52.436 52.436 55.776 -3.340 18049
2778 1 7 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.256 0.631 18049
2779 1 7 . 1 1 15 15 HIS H H 15 6.998 6.998 8.560 -1.562 18049
2780 1 7 . 1 1 16 16 LEU N N 16 117.239 117.239 116.450 0.789 18049
2781 1 7 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.353 0.232 18049
2782 1 7 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.381 -3.852 18049
2783 1 7 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.428 -0.232 18049
2784 1 7 . 1 1 16 16 LEU H H 16 8.614 8.614 7.980 0.634 18049
2785 1 7 . 1 1 17 17 LYS N N 17 122.561 122.561 121.331 1.230 18049
2786 1 7 . 1 1 17 17 LYS HA H 17 4.780 4.780 4.028 0.752 18049
2787 1 7 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.741 -1.977 18049
2788 1 7 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.716 -1.915 18049
2789 1 7 . 1 1 17 17 LYS H H 17 8.681 8.681 8.649 0.032 18049
2790 1 7 . 1 1 18 18 LYS N N 18 117.626 117.626 112.833 4.793 18049
2791 1 7 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.181 -0.077 18049
2792 1 7 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.145 -2.326 18049
2793 1 7 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.871 -3.116 18049
2794 1 7 . 1 1 18 18 LYS H H 18 8.320 8.320 8.110 0.210 18049
2795 1 7 . 1 1 19 19 ASP N N 19 118.071 118.071 119.311 -1.240 18049
2796 1 7 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.750 0.100 18049
2797 1 7 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.000 -4.168 18049
2798 1 7 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.930 -2.030 18049
2799 1 7 . 1 1 19 19 ASP H H 19 7.770 7.770 7.989 -0.219 18049
2800 1 7 . 1 1 20 20 CYS N N 20 123.265 123.265 120.654 2.611 18049
2801 1 7 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.495 -0.793 18049
2802 1 7 . 1 1 20 20 CYS CA C 20 59.556 59.556 59.237 0.319 18049
2803 1 7 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.130 1.366 18049
2804 1 7 . 1 1 20 20 CYS H H 20 7.275 7.275 7.966 -0.691 18049
2805 1 7 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.075 -4.175 18049
2806 1 7 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.158 -1.438 18049
2807 1 7 . 1 1 22 22 HIS N N 22 121.576 121.576 119.911 1.665 18049
2808 1 7 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.401 -3.917 18049
2809 1 7 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.117 -2.284 18049
2810 1 7 . 1 1 22 22 HIS H H 22 7.882 7.882 8.281 -0.399 18049
2811 1 7 . 1 1 23 23 ILE N N 23 117.100 117.100 118.549 -1.449 18049
2812 1 7 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.340 -0.170 18049
2813 1 7 . 1 1 23 23 ILE CA C 23 57.420 57.420 59.704 -2.284 18049
2814 1 7 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.711 -1.731 18049
2815 1 7 . 1 1 23 23 ILE H H 23 8.660 8.660 8.231 0.429 18049
2816 1 7 . 1 1 24 24 ILE N N 24 126.524 126.524 122.078 4.446 18049
2817 1 7 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.167 -0.217 18049
2818 1 7 . 1 1 24 24 ILE CA C 24 56.690 56.690 61.010 -4.320 18049
2819 1 7 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.464 -0.288 18049
2820 1 7 . 1 1 24 24 ILE H H 24 8.486 8.486 8.204 0.282 18049
2821 1 7 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.463 -3.449 18049
2822 1 7 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.345 -1.072 18049
2823 1 7 . 1 1 26 26 SER N N 26 127.811 127.811 121.048 6.763 18049
2824 1 7 . 1 1 26 26 SER HA H 26 4.050 4.050 4.019 0.031 18049
2825 1 7 . 1 1 26 26 SER CA C 26 58.170 58.170 59.419 -1.249 18049
2826 1 7 . 1 1 26 26 SER CB C 26 60.523 60.523 62.133 -1.609 18049
2827 1 7 . 1 1 26 26 SER H H 26 9.491 9.491 9.067 0.424 18049
2828 1 7 . 1 1 27 27 TYR N N 27 124.378 124.378 118.919 5.459 18049
2829 1 7 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.184 0.341 18049
2830 1 7 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.826 -0.936 18049
2831 1 7 . 1 1 27 27 TYR CB C 27 37.093 37.093 36.802 0.291 18049
2832 1 7 . 1 1 27 27 TYR H H 27 9.389 9.389 7.872 1.517 18049
2833 1 7 . 1 1 28 28 CYS N N 28 126.900 126.900 114.128 12.772 18049
2834 1 7 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.575 -2.654 18049
2835 1 7 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.220 0.978 18049
2836 1 7 . 1 1 28 28 CYS H H 28 8.490 8.490 7.819 0.671 18049
2837 1 7 . 1 1 29 29 GLY N N 29 113.271 113.271 106.567 6.704 18049
2838 1 7 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.027 -0.679 18049
2839 1 7 . 1 1 29 29 GLY H H 29 7.792 7.792 7.422 0.370 18049
2840 1 7 . 1 1 30 30 ALA N N 30 124.805 124.805 121.242 3.563 18049
2841 1 7 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.343 -0.224 18049
2842 1 7 . 1 1 30 30 ALA CA C 30 51.140 51.140 52.410 -1.270 18049
2843 1 7 . 1 1 30 30 ALA CB C 30 17.720 17.720 19.862 -2.142 18049
2844 1 7 . 1 1 30 30 ALA H H 30 8.541 8.541 8.543 -0.002 18049
2845 1 7 . 1 1 31 31 THR N N 31 118.352 118.352 111.968 6.384 18049
2846 1 7 . 1 1 31 31 THR CA C 31 58.082 58.082 62.763 -4.681 18049
2847 1 7 . 1 1 31 31 THR CB C 31 67.072 67.072 69.200 -2.127 18049
2848 1 7 . 1 1 31 31 THR H H 31 8.544 8.544 8.401 0.143 18049
2849 1 7 . 1 1 32 32 ASP N N 32 123.222 123.222 122.484 0.738 18049
2850 1 7 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.658 -0.615 18049
2851 1 7 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.930 -2.781 18049
2852 1 7 . 1 1 32 32 ASP CB C 32 36.447 36.447 40.942 -4.495 18049
2853 1 7 . 1 1 32 32 ASP H H 32 9.768 9.768 8.703 1.065 18049
2854 1 7 . 1 1 33 33 ASP N N 33 116.889 116.889 115.753 1.136 18049
2855 1 7 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.147 0.173 18049
2856 1 7 . 1 1 33 33 ASP CB C 33 43.190 43.190 38.764 4.426 18049
2857 1 7 . 1 1 33 33 ASP H H 33 8.111 8.111 8.268 -0.157 18049
2858 1 7 . 1 1 34 34 HIS N N 34 110.849 110.849 120.983 -10.134 18049
2859 1 7 . 1 1 34 34 HIS CA C 34 53.190 53.190 59.806 -6.616 18049
2860 1 7 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.461 7.309 18049
2861 1 7 . 1 1 34 34 HIS H H 34 6.959 6.959 7.816 -0.857 18049
2862 1 7 . 1 1 35 35 TYR N N 35 117.529 117.529 118.210 -0.681 18049
2863 1 7 . 1 1 35 35 TYR CA C 35 54.137 54.137 61.153 -7.016 18049
2864 1 7 . 1 1 35 35 TYR CB C 35 37.567 37.567 37.729 -0.162 18049
2865 1 7 . 1 1 35 35 TYR H H 35 8.813 8.813 8.925 -0.112 18049
2866 1 7 . 1 1 36 36 SER N N 36 121.984 121.984 114.909 7.075 18049
2867 1 7 . 1 1 36 36 SER CA C 36 57.520 57.520 60.140 -2.620 18049
2868 1 7 . 1 1 36 36 SER CB C 36 59.800 59.800 62.700 -2.900 18049
2869 1 7 . 1 1 36 36 SER H H 36 8.518 8.518 8.234 0.284 18049
2870 1 7 . 1 1 37 37 ARG N N 37 119.707 119.707 119.687 0.020 18049
2871 1 7 . 1 1 37 37 ARG CA C 37 51.671 51.671 55.672 -4.002 18049
2872 1 7 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.278 -2.185 18049
2873 1 7 . 1 1 37 37 ARG H H 37 7.963 7.963 7.452 0.511 18049
2874 1 7 . 1 1 38 38 HIS N N 38 125.394 125.394 115.871 9.523 18049
2875 1 7 . 1 1 38 38 HIS CA C 38 56.276 56.276 56.893 -0.617 18049
2876 1 7 . 1 1 38 38 HIS H H 38 7.443 7.443 7.670 -0.227 18049
2877 1 7 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.082 0.368 18049
2878 1 7 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.785 -12.105 18049
2879 1 7 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.587 1.653 18049
2880 1 7 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.505 -0.195 18049
2881 1 7 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.352 -3.912 18049
2882 1 7 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.313 -1.013 18049
2883 1 7 . 1 1 41 41 LYS N N 41 121.400 121.400 118.602 2.798 18049
2884 1 7 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.524 -0.445 18049
2885 1 7 . 1 1 41 41 LYS CA C 41 53.680 53.680 54.813 -1.133 18049
2886 1 7 . 1 1 41 41 LYS CB C 41 29.641 29.641 30.316 -0.675 18049
2887 1 7 . 1 1 41 41 LYS H H 41 8.650 8.650 7.903 0.747 18049
2888 1 7 . 1 1 42 42 ALA N N 42 122.096 122.096 120.905 1.191 18049
2889 1 7 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.483 -0.964 18049
2890 1 7 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.154 -2.563 18049
2891 1 7 . 1 1 42 42 ALA CB C 42 16.456 16.456 21.221 -4.765 18049
2892 1 7 . 1 1 42 42 ALA H H 42 7.201 7.201 7.215 -0.014 18049
2893 1 7 . 1 1 43 43 ILE N N 43 119.646 119.646 120.647 -1.001 18049
2894 1 7 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.266 -0.535 18049
2895 1 7 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.563 -2.597 18049
2896 1 7 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.931 -0.953 18049
2897 1 7 . 1 1 43 43 ILE H H 43 7.086 7.086 7.497 -0.411 18049
2898 1 7 . 1 1 44 44 GLN N N 44 125.541 125.541 118.961 6.580 18049
2899 1 7 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.544 -0.112 18049
2900 1 7 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.827 -2.091 18049
2901 1 7 . 1 1 44 44 GLN CB C 44 28.084 28.084 30.960 -2.876 18049
2902 1 7 . 1 1 44 44 GLN H H 44 7.980 7.980 7.423 0.557 18049
2903 1 7 . 1 1 45 45 CYS N N 45 130.678 130.678 120.371 10.307 18049
2904 1 7 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.240 -0.120 18049
2905 1 7 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.994 -2.664 18049
2906 1 7 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.736 -1.736 18049
2907 1 7 . 1 1 45 45 CYS H H 45 8.353 8.353 8.286 0.067 18049
2908 1 7 . 1 1 46 46 SER N N 46 124.273 124.273 120.166 4.107 18049
2909 1 7 . 1 1 46 46 SER HA H 46 4.334 4.334 4.269 0.065 18049
2910 1 7 . 1 1 46 46 SER CA C 46 56.923 56.923 60.399 -3.476 18049
2911 1 7 . 1 1 46 46 SER CB C 46 60.400 60.400 63.034 -2.634 18049
2912 1 7 . 1 1 46 46 SER H H 46 8.466 8.466 8.517 -0.051 18049
2913 1 7 . 1 1 47 47 LYS N N 47 127.929 127.929 118.244 9.685 18049
2914 1 7 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.573 -0.213 18049
2915 1 7 . 1 1 47 47 LYS CA C 47 56.320 56.320 55.749 0.571 18049
2916 1 7 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.600 -2.300 18049
2917 1 7 . 1 1 47 47 LYS H H 47 9.720 9.720 7.847 1.873 18049
2918 1 7 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.738 -0.148 18049
2919 1 7 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.544 -6.044 18049
2920 1 7 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.672 -2.572 18049
2921 1 7 . 1 1 48 48 CYS H H 48 8.600 8.600 7.155 1.445 18049
2922 1 7 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.568 0.142 18049
2923 1 7 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.636 -0.336 18049
2924 1 7 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.330 -0.130 18049
2925 1 7 . 1 1 49 49 ASP H H 49 8.830 8.830 8.634 0.196 18049
2926 1 7 . 1 1 50 50 GLU N N 50 118.700 118.700 117.558 1.142 18049
2927 1 7 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.581 -0.286 18049
2928 1 7 . 1 1 50 50 GLU CA C 50 54.340 54.340 54.869 -0.529 18049
2929 1 7 . 1 1 50 50 GLU CB C 50 28.500 28.500 32.818 -4.318 18049
2930 1 7 . 1 1 50 50 GLU H H 50 8.226 8.226 7.756 0.470 18049
2931 1 7 . 1 1 51 51 VAL N N 51 118.593 118.593 119.774 -1.181 18049
2932 1 7 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.649 0.624 18049
2933 1 7 . 1 1 51 51 VAL CA C 51 59.380 59.380 65.493 -6.113 18049
2934 1 7 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.915 -1.665 18049
2935 1 7 . 1 1 51 51 VAL H H 51 8.216 8.216 8.908 -0.692 18049
2936 1 7 . 1 1 52 52 GLY N N 52 110.908 110.908 102.352 8.556 18049
2937 1 7 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.440 -1.750 18049
2938 1 7 . 1 1 52 52 GLY H H 52 8.630 8.630 7.249 1.381 18049
2939 1 7 . 1 1 53 53 HIS N N 53 113.633 113.633 118.790 -5.157 18049
2940 1 7 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.436 0.154 18049
2941 1 7 . 1 1 53 53 HIS CA C 53 52.450 52.450 56.093 -3.643 18049
2942 1 7 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.348 -1.308 18049
2943 1 7 . 1 1 53 53 HIS H H 53 6.855 6.855 8.408 -1.553 18049
2944 1 7 . 1 1 54 54 TYR N N 54 115.154 115.154 119.558 -4.404 18049
2945 1 7 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.397 -0.227 18049
2946 1 7 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.862 -4.062 18049
2947 1 7 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.722 -2.093 18049
2948 1 7 . 1 1 54 54 TYR H H 54 8.054 8.054 7.683 0.371 18049
2949 1 7 . 1 1 55 55 ARG N N 55 126.509 126.509 118.876 7.633 18049
2950 1 7 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.035 -0.436 18049
2951 1 7 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.293 -1.470 18049
2952 1 7 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.248 -3.027 18049
2953 1 7 . 1 1 55 55 ARG H H 55 8.490 8.490 8.844 -0.354 18049
2954 1 7 . 1 1 56 56 SER N N 56 116.450 116.450 109.176 7.274 18049
2955 1 7 . 1 1 56 56 SER CA C 56 56.523 56.523 57.788 -1.266 18049
2956 1 7 . 1 1 56 56 SER CB C 56 62.261 62.261 64.055 -1.794 18049
2957 1 7 . 1 1 56 56 SER H H 56 8.247 8.247 8.003 0.244 18049
2958 1 7 . 1 1 57 57 GLN N N 57 124.678 124.678 120.401 4.277 18049
2959 1 7 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.580 -0.406 18049
2960 1 7 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.516 -2.906 18049
2961 1 7 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.999 -4.939 18049
2962 1 7 . 1 1 57 57 GLN H H 57 8.702 8.702 8.402 0.300 18049
2963 1 7 . 1 1 58 58 CYS N N 58 126.577 126.577 120.272 6.305 18049
2964 1 7 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.865 -0.449 18049
2965 1 7 . 1 1 58 58 CYS CA C 58 55.001 55.001 55.987 -0.986 18049
2966 1 7 . 1 1 58 58 CYS CB C 58 31.080 31.080 28.240 2.840 18049
2967 1 7 . 1 1 58 58 CYS H H 58 7.694 7.694 8.418 -0.724 18049
2968 1 7 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.621 2.170 18049
2969 1 7 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.142 -2.731 18049
2970 1 7 . 1 1 63 63 LYS N N 63 121.641 121.641 119.991 1.650 18049
2971 1 7 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.882 -4.510 18049
2972 1 7 . 1 1 63 63 LYS CB C 63 27.792 27.792 31.809 -4.017 18049
2973 1 7 . 1 1 63 63 LYS H H 63 8.033 8.033 8.318 -0.285 18049
2974 1 7 . 1 1 64 64 LYS N N 64 111.775 111.775 120.223 -8.448 18049
2975 1 7 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.588 -1.845 18049
2976 1 7 . 1 1 64 64 LYS H H 64 8.104 8.104 7.935 0.169 18049
2977 1 7 . 1 1 65 65 VAL N N 65 122.037 122.037 126.051 -4.014 18049
2978 1 7 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.570 0.470 18049
2979 1 7 . 1 1 65 65 VAL CA C 65 59.290 59.290 64.029 -4.739 18049
2980 1 7 . 1 1 65 65 VAL CB C 65 29.411 29.411 31.560 -2.149 18049
2981 1 7 . 1 1 65 65 VAL H H 65 8.306 8.306 9.195 -0.889 18049
2982 1 7 . 1 1 66 66 GLN N N 66 121.994 121.994 114.140 7.854 18049
2983 1 7 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.846 -3.243 18049
2984 1 7 . 1 1 66 66 GLN CB C 66 30.300 30.300 27.440 2.860 18049
2985 1 7 . 1 1 66 66 GLN H H 66 8.360 8.360 8.740 -0.380 18049
2986 1 7 . 1 1 67 67 CYS N N 67 121.582 121.582 116.511 5.071 18049
2987 1 7 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.478 -0.439 18049
2988 1 7 . 1 1 67 67 CYS CA C 67 59.215 59.215 57.925 1.290 18049
2989 1 7 . 1 1 67 67 CYS CB C 67 30.532 30.532 30.163 0.369 18049
2990 1 7 . 1 1 67 67 CYS H H 67 8.032 8.032 7.312 0.720 18049
2991 1 7 . 1 1 68 68 THR HA H 68 4.046 4.046 4.153 -0.107 18049
2992 1 7 . 1 1 68 68 THR CA C 68 61.228 61.228 64.174 -2.946 18049
2993 1 7 . 1 1 68 68 THR CB C 68 65.371 65.371 68.843 -3.472 18049
2994 1 7 . 1 1 69 69 LEU N N 69 124.335 124.335 120.371 3.964 18049
2995 1 7 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.237 0.145 18049
2996 1 7 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.365 -0.936 18049
2997 1 7 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.172 -2.382 18049
2998 1 7 . 1 1 69 69 LEU H H 69 9.024 9.024 7.953 1.071 18049
2999 1 7 . 1 1 70 70 CYS N N 70 118.876 118.876 116.761 2.115 18049
3000 1 7 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.576 -0.240 18049
3001 1 7 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.796 -4.651 18049
3002 1 7 . 1 1 70 70 CYS CB C 70 29.863 29.863 30.134 -0.271 18049
3003 1 7 . 1 1 70 70 CYS H H 70 8.716 8.716 7.529 1.187 18049
3004 1 7 . 1 1 71 71 LYS N N 71 122.961 122.961 121.293 1.668 18049
3005 1 7 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.660 -0.493 18049
3006 1 7 . 1 1 71 71 LYS CA C 71 53.835 53.835 54.776 -0.941 18049
3007 1 7 . 1 1 71 71 LYS CB C 71 33.520 33.520 35.186 -1.666 18049
3008 1 7 . 1 1 71 71 LYS H H 71 8.505 8.505 8.604 -0.099 18049
3009 1 7 . 1 1 74 74 LYS CA C 74 56.238 56.238 55.540 0.698 18049
3010 1 7 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.410 -2.167 18049
3011 1 7 . 1 1 75 75 HIS N N 75 111.915 111.915 119.574 -7.659 18049
3012 1 7 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.423 0.037 18049
3013 1 7 . 1 1 75 75 HIS CA C 75 52.255 52.255 58.070 -5.815 18049
3014 1 7 . 1 1 75 75 HIS CB C 75 28.700 28.700 31.267 -2.567 18049
3015 1 7 . 1 1 75 75 HIS H H 75 6.732 6.732 8.043 -1.311 18049
3016 1 7 . 1 1 78 78 GLU N N 78 118.980 118.980 118.165 0.815 18049
3017 1 7 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.004 0.006 18049
3018 1 7 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.161 -0.681 18049
3019 1 7 . 1 1 78 78 GLU CB C 78 34.350 34.350 27.488 6.862 18049
3020 1 7 . 1 1 78 78 GLU H H 78 8.831 8.831 8.716 0.115 18049
3021 1 7 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.579 -0.299 18049
3022 1 7 . 1 1 81 81 PRO CA C 81 61.512 61.512 63.377 -1.865 18049
3023 1 7 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.920 -2.406 18049
3024 1 7 . 1 1 82 82 SER N N 82 116.172 116.172 115.728 0.444 18049
3025 1 7 . 1 1 82 82 SER HA H 82 4.105 4.105 4.472 -0.367 18049
3026 1 7 . 1 1 82 82 SER CA C 82 58.317 58.317 58.683 -0.366 18049
3027 1 7 . 1 1 82 82 SER CB C 82 60.104 60.104 64.305 -4.201 18049
3028 1 7 . 1 1 82 82 SER H H 82 8.684 8.684 8.166 0.518 18049
3029 1 7 . 1 1 83 83 ILE N N 83 118.847 118.847 117.017 1.830 18049
3030 1 7 . 1 1 83 83 ILE CA C 83 59.168 59.168 59.738 -0.570 18049
3031 1 7 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.600 -0.118 18049
3032 1 7 . 1 1 83 83 ILE H H 83 7.424 7.424 8.344 -0.920 18049
3033 1 7 . 1 1 84 84 TRP N N 84 115.140 115.140 124.575 -9.435 18049
3034 1 7 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.628 -4.035 18049
3035 1 7 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.778 -3.910 18049
3036 1 7 . 1 1 84 84 TRP H H 84 8.131 8.131 8.814 -0.683 18049
3037 1 7 . 1 1 85 85 ARG N N 85 118.936 118.936 118.082 0.854 18049
3038 1 7 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.872 -5.654 18049
3039 1 7 . 1 1 85 85 ARG CB C 85 29.330 29.330 29.702 -0.372 18049
3040 1 7 . 1 1 85 85 ARG H H 85 7.884 7.884 7.898 -0.014 18049
3041 1 7 . 1 1 86 86 ALA HA H 86 3.970 3.970 3.947 0.023 18049
3042 1 7 . 1 1 86 86 ALA CA C 86 50.020 50.020 53.400 -3.380 18049
3043 1 7 . 1 1 86 86 ALA CB C 86 16.400 16.400 17.643 -1.243 18049
3044 1 7 . 1 1 87 87 TYR N N 87 117.965 117.965 118.980 -1.015 18049
3045 1 7 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.433 0.023 18049
3046 1 7 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.717 -2.789 18049
3047 1 7 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.389 0.623 18049
3048 1 7 . 1 1 87 87 TYR H H 87 7.733 7.733 7.282 0.451 18049
3049 1 7 . 1 1 89 89 LEU CA C 89 55.641 55.641 55.437 0.204 18049
3050 1 7 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.148 -5.349 18049
3051 1 7 . 1 1 90 90 VAL N N 90 118.969 118.969 120.676 -1.707 18049
3052 1 7 . 1 1 90 90 VAL CA C 90 59.110 59.110 64.513 -5.403 18049
3053 1 7 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.123 -1.996 18049
3054 1 7 . 1 1 90 90 VAL H H 90 8.944 8.944 8.048 0.896 18049
3055 1 7 . 1 1 91 91 ASP N N 91 127.947 127.947 115.879 12.068 18049
3056 1 7 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.884 -4.916 18049
3057 1 7 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.041 -2.179 18049
3058 1 7 . 1 1 91 91 ASP H H 91 8.320 8.320 8.110 0.210 18049
3059 1 7 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.803 -1.785 18049
3060 1 7 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.623 -4.176 18049
3061 1 7 . 1 1 93 93 ASN N N 93 118.727 118.727 118.564 0.163 18049
3062 1 7 . 1 1 93 93 ASN CA C 93 51.153 51.153 54.707 -3.554 18049
3063 1 7 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.133 -1.762 18049
3064 1 7 . 1 1 93 93 ASN H H 93 8.396 8.396 8.731 -0.335 18049
3065 1 7 . 1 1 94 94 GLU N N 94 120.824 120.824 118.899 1.925 18049
3066 1 7 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.460 -1.071 18049
3067 1 7 . 1 1 94 94 GLU CB C 94 27.270 27.270 32.518 -5.248 18049
3068 1 7 . 1 1 94 94 GLU H H 94 8.266 8.266 8.114 0.152 18049
3069 1 7 . 1 1 95 95 LYS N N 95 121.079 121.079 122.359 -1.280 18049
3070 1 7 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.734 -0.578 18049
3071 1 7 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.280 -1.439 18049
3072 1 7 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.826 -3.653 18049
3073 1 7 . 1 1 95 95 LYS H H 95 8.055 8.055 8.137 -0.082 18049
3074 1 7 . 1 1 96 96 ALA N N 96 124.103 124.103 124.080 0.023 18049
3075 1 7 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.389 -0.187 18049
3076 1 7 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.819 -3.092 18049
3077 1 7 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.116 -2.364 18049
3078 1 7 . 1 1 96 96 ALA H H 96 8.053 8.053 8.482 -0.429 18049
3079 1 7 . 1 1 97 97 LYS N N 97 121.893 121.893 120.846 1.047 18049
3080 1 7 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.628 0.257 18049
3081 1 7 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.045 -2.587 18049
3082 1 7 . 1 1 97 97 LYS H H 97 8.091 8.091 8.189 -0.098 18049
3083 1 7 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.567 -0.131 18049
3084 1 7 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.617 -2.591 18049
3085 1 7 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.763 -3.220 18049
3086 1 7 . 1 1 99 99 LYS N N 99 121.497 121.497 120.323 1.174 18049
3087 1 7 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.536 -0.171 18049
3088 1 7 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.995 -3.336 18049
3089 1 7 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.298 -1.325 18049
3090 1 7 . 1 1 99 99 LYS H H 99 8.241 8.241 8.239 0.002 18049
3091 1 7 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.534 -0.267 18049
3092 1 7 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.338 -1.935 18049
3093 1 7 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.253 -2.796 18049
3094 1 7 . 1 1 103 103 PHE N N 103 118.755 118.755 120.557 -1.802 18049
3095 1 7 . 1 1 103 103 PHE CA C 103 56.059 56.059 56.951 -0.892 18049
3096 1 7 . 1 1 103 103 PHE H H 103 8.675 8.675 7.650 1.025 18049
3097 1 7 . 1 1 105 105 THR HA H 105 4.630 4.630 4.323 0.307 18049
3098 1 7 . 1 1 105 105 THR CA C 105 59.356 59.356 61.089 -1.733 18049
3099 1 7 . 1 1 105 105 THR CB C 105 67.299 67.299 70.906 -3.607 18049
3100 1 7 . 1 1 106 106 ILE N N 106 124.035 124.035 120.406 3.629 18049
3101 1 7 . 1 1 106 106 ILE HA H 106 4.631 4.631 3.840 0.791 18049
3102 1 7 . 1 1 106 106 ILE CA C 106 57.730 57.730 61.978 -4.248 18049
3103 1 7 . 1 1 106 106 ILE CB C 106 36.907 36.907 35.484 1.423 18049
3104 1 7 . 1 1 106 106 ILE H H 106 7.833 7.833 8.608 -0.775 18049
3105 1 7 . 1 1 107 107 TYR N N 107 118.339 118.339 120.018 -1.679 18049
3106 1 7 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.662 -0.122 18049
3107 1 7 . 1 1 107 107 TYR CA C 107 55.828 55.828 57.069 -1.240 18049
3108 1 7 . 1 1 107 107 TYR CB C 107 37.240 37.240 42.033 -4.793 18049
3109 1 7 . 1 1 107 107 TYR H H 107 8.925 8.925 7.810 1.115 18049
3110 1 7 . 1 1 108 108 CYS N N 108 130.380 130.380 122.115 8.265 18049
3111 1 7 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.348 -0.228 18049
3112 1 7 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.273 -2.323 18049
3113 1 7 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.934 -1.034 18049
3114 1 7 . 1 1 108 108 CYS H H 108 8.335 8.335 8.455 -0.120 18049
3115 1 7 . 1 1 109 109 TYR N N 109 126.618 126.618 120.958 5.660 18049
3116 1 7 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.493 -0.093 18049
3117 1 7 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.078 -2.808 18049
3118 1 7 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.377 -3.877 18049
3119 1 7 . 1 1 109 109 TYR H H 109 8.011 8.011 8.548 -0.537 18049
3120 1 7 . 1 1 110 110 ASN N N 110 125.398 125.398 117.018 8.380 18049
3121 1 7 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.711 0.091 18049
3122 1 7 . 1 1 110 110 ASN CA C 110 53.569 53.569 53.400 0.169 18049
3123 1 7 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.107 -1.185 18049
3124 1 7 . 1 1 110 110 ASN H H 110 9.284 9.284 8.459 0.825 18049
3125 1 7 . 1 1 111 111 CYS N N 111 118.921 118.921 114.415 4.506 18049
3126 1 7 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.701 0.209 18049
3127 1 7 . 1 1 111 111 CYS CA C 111 55.986 55.986 55.780 0.206 18049
3128 1 7 . 1 1 111 111 CYS CB C 111 30.172 30.172 31.174 -1.002 18049
3129 1 7 . 1 1 111 111 CYS H H 111 9.171 9.171 7.307 1.864 18049
3130 1 7 . 1 1 112 112 GLY N N 112 114.064 114.064 108.079 5.985 18049
3131 1 7 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.386 -2.105 18049
3132 1 7 . 1 1 112 112 GLY H H 112 7.840 7.840 8.182 -0.342 18049
3133 1 7 . 1 1 113 113 GLY N N 113 112.541 112.541 110.431 2.110 18049
3134 1 7 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.207 -3.014 18049
3135 1 7 . 1 1 113 113 GLY H H 113 9.023 9.023 6.228 2.795 18049
3136 1 7 . 1 1 114 114 LYS N N 114 119.130 119.130 126.263 -7.133 18049
3137 1 7 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.101 0.159 18049
3138 1 7 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.297 -2.547 18049
3139 1 7 . 1 1 114 114 LYS CB C 114 31.680 31.680 31.576 0.104 18049
3140 1 7 . 1 1 114 114 LYS H H 114 8.200 8.200 8.187 0.013 18049
3141 1 7 . 1 1 115 115 GLY N N 115 108.864 108.864 109.174 -0.310 18049
3142 1 7 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.767 -2.694 18049
3143 1 7 . 1 1 115 115 GLY H H 115 8.501 8.501 7.987 0.514 18049
3144 1 7 . 1 1 116 116 HIS N N 116 113.173 113.173 116.616 -3.443 18049
3145 1 7 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.434 -0.003 18049
3146 1 7 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.467 -2.067 18049
3147 1 7 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.203 -2.673 18049
3148 1 7 . 1 1 116 116 HIS H H 116 6.665 6.665 7.288 -0.623 18049
3149 1 7 . 1 1 117 117 PHE N N 117 116.353 116.353 119.998 -3.645 18049
3150 1 7 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.567 0.113 18049
3151 1 7 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.011 -2.927 18049
3152 1 7 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.154 2.110 18049
3153 1 7 . 1 1 117 117 PHE H H 117 8.529 8.529 8.547 -0.018 18049
3154 1 7 . 1 1 118 118 GLY N N 118 108.977 108.977 108.873 0.104 18049
3155 1 7 . 1 1 118 118 GLY CA C 118 45.361 45.361 47.074 -1.713 18049
3156 1 7 . 1 1 118 118 GLY H H 118 8.870 8.870 7.976 0.894 18049
3157 1 7 . 1 1 119 119 ASP N N 119 117.997 117.997 119.822 -1.825 18049
3158 1 7 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.631 -0.287 18049
3159 1 7 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.748 -3.244 18049
3160 1 7 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.281 -3.471 18049
3161 1 7 . 1 1 119 119 ASP H H 119 7.892 7.892 8.113 -0.221 18049
3162 1 7 . 1 1 120 120 ASP N N 120 116.782 116.782 118.774 -1.992 18049
3163 1 7 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.931 -0.076 18049
3164 1 7 . 1 1 120 120 ASP CA C 120 50.685 50.685 53.281 -2.595 18049
3165 1 7 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.687 -2.488 18049
3166 1 7 . 1 1 120 120 ASP H H 120 7.730 7.730 8.230 -0.500 18049
3167 1 7 . 1 1 121 121 CYS N N 121 125.836 125.836 117.365 8.471 18049
3168 1 7 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.054 0.726 18049
3169 1 7 . 1 1 121 121 CYS CA C 121 56.067 56.067 60.008 -3.941 18049
3170 1 7 . 1 1 121 121 CYS CB C 121 28.200 28.200 25.490 2.710 18049
3171 1 7 . 1 1 121 121 CYS H H 121 7.667 7.667 8.111 -0.444 18049
3172 1 8 . 1 1 3 3 ALA N N 3 125.353 125.353 121.656 3.697 18049
3173 1 8 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.470 -0.275 18049
3174 1 8 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.473 -1.895 18049
3175 1 8 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.010 -3.199 18049
3176 1 8 . 1 1 3 3 ALA H H 3 8.182 8.182 7.528 0.654 18049
3177 1 8 . 1 1 4 4 ALA N N 4 124.707 124.707 125.757 -1.050 18049
3178 1 8 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.533 -0.073 18049
3179 1 8 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.381 -5.621 18049
3180 1 8 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.387 -1.589 18049
3181 1 8 . 1 1 4 4 ALA H H 4 8.151 8.151 8.504 -0.353 18049
3182 1 8 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.368 0.102 18049
3183 1 8 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.402 -4.082 18049
3184 1 8 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.716 -1.916 18049
3185 1 8 . 1 1 6 6 LYS N N 6 121.400 121.400 118.392 3.008 18049
3186 1 8 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.019 0.244 18049
3187 1 8 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.273 -5.643 18049
3188 1 8 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.744 0.256 18049
3189 1 8 . 1 1 6 6 LYS H H 6 8.230 8.230 8.708 -0.478 18049
3190 1 8 . 1 1 7 7 CYS N N 7 128.995 128.995 115.580 13.415 18049
3191 1 8 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.742 -0.628 18049
3192 1 8 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.842 -0.822 18049
3193 1 8 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.129 -2.409 18049
3194 1 8 . 1 1 7 7 CYS H H 7 8.354 8.354 8.260 0.094 18049
3195 1 8 . 1 1 8 8 ASN N N 8 127.325 127.325 120.483 6.842 18049
3196 1 8 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.556 0.149 18049
3197 1 8 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.470 -3.560 18049
3198 1 8 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.932 -3.002 18049
3199 1 8 . 1 1 8 8 ASN H H 8 8.659 8.659 8.781 -0.122 18049
3200 1 8 . 1 1 9 9 ASN N N 9 122.394 122.394 116.132 6.262 18049
3201 1 8 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.816 -0.016 18049
3202 1 8 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.418 -0.106 18049
3203 1 8 . 1 1 9 9 ASN CB C 9 37.875 37.875 40.367 -2.492 18049
3204 1 8 . 1 1 9 9 ASN H H 9 9.861 9.861 7.826 2.035 18049
3205 1 8 . 1 1 10 10 CYS N N 10 117.508 117.508 121.623 -4.115 18049
3206 1 8 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.802 -0.097 18049
3207 1 8 . 1 1 10 10 CYS CA C 10 56.350 56.350 57.531 -1.181 18049
3208 1 8 . 1 1 10 10 CYS CB C 10 29.540 29.540 27.973 1.567 18049
3209 1 8 . 1 1 10 10 CYS H H 10 8.814 8.814 8.317 0.497 18049
3210 1 8 . 1 1 11 11 SER N N 11 115.934 115.934 121.424 -5.490 18049
3211 1 8 . 1 1 11 11 SER HA H 11 4.150 4.150 4.475 -0.325 18049
3212 1 8 . 1 1 11 11 SER CA C 11 58.769 58.769 57.894 0.875 18049
3213 1 8 . 1 1 11 11 SER CB C 11 59.635 59.635 62.147 -2.512 18049
3214 1 8 . 1 1 11 11 SER H H 11 7.821 7.821 8.806 -0.985 18049
3215 1 8 . 1 1 12 12 GLN N N 12 120.325 120.325 122.048 -1.723 18049
3216 1 8 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.662 -0.301 18049
3217 1 8 . 1 1 12 12 GLN CA C 12 52.870 52.870 53.970 -1.100 18049
3218 1 8 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.143 -2.230 18049
3219 1 8 . 1 1 12 12 GLN H H 12 8.311 8.311 8.203 0.108 18049
3220 1 8 . 1 1 13 13 ARG N N 13 118.657 118.657 122.205 -3.548 18049
3221 1 8 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.254 0.114 18049
3222 1 8 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.789 -3.759 18049
3223 1 8 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.457 1.843 18049
3224 1 8 . 1 1 13 13 ARG H H 13 8.430 8.430 8.553 -0.123 18049
3225 1 8 . 1 1 14 14 GLY N N 14 107.015 107.015 111.326 -4.311 18049
3226 1 8 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.671 -1.941 18049
3227 1 8 . 1 1 14 14 GLY H H 14 8.706 8.706 8.710 -0.004 18049
3228 1 8 . 1 1 15 15 HIS N N 15 113.397 113.397 119.099 -5.702 18049
3229 1 8 . 1 1 15 15 HIS HA H 15 4.600 4.600 5.068 -0.468 18049
3230 1 8 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.550 -1.114 18049
3231 1 8 . 1 1 15 15 HIS CB C 15 27.887 27.887 30.261 -2.374 18049
3232 1 8 . 1 1 15 15 HIS H H 15 6.998 6.998 8.187 -1.189 18049
3233 1 8 . 1 1 16 16 LEU N N 16 117.239 117.239 122.097 -4.858 18049
3234 1 8 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.509 0.076 18049
3235 1 8 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.343 -3.814 18049
3236 1 8 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.591 -0.395 18049
3237 1 8 . 1 1 16 16 LEU H H 16 8.614 8.614 8.412 0.202 18049
3238 1 8 . 1 1 17 17 LYS N N 17 122.561 122.561 121.464 1.097 18049
3239 1 8 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.976 0.804 18049
3240 1 8 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.786 -2.022 18049
3241 1 8 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.626 -1.825 18049
3242 1 8 . 1 1 17 17 LYS H H 17 8.681 8.681 8.629 0.052 18049
3243 1 8 . 1 1 18 18 LYS N N 18 117.626 117.626 113.774 3.852 18049
3244 1 8 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.129 -0.025 18049
3245 1 8 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.189 -2.370 18049
3246 1 8 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.947 -3.192 18049
3247 1 8 . 1 1 18 18 LYS H H 18 8.320 8.320 8.099 0.221 18049
3248 1 8 . 1 1 19 19 ASP N N 19 118.071 118.071 118.580 -0.509 18049
3249 1 8 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.570 0.280 18049
3250 1 8 . 1 1 19 19 ASP CA C 19 50.832 50.832 56.446 -5.614 18049
3251 1 8 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.784 -1.884 18049
3252 1 8 . 1 1 19 19 ASP H H 19 7.770 7.770 7.722 0.048 18049
3253 1 8 . 1 1 20 20 CYS N N 20 123.265 123.265 119.007 4.258 18049
3254 1 8 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.030 -0.328 18049
3255 1 8 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.816 -1.260 18049
3256 1 8 . 1 1 20 20 CYS CB C 20 28.496 28.496 25.718 2.778 18049
3257 1 8 . 1 1 20 20 CYS H H 20 7.275 7.275 7.876 -0.601 18049
3258 1 8 . 1 1 21 21 PRO CA C 21 58.900 58.900 62.863 -3.963 18049
3259 1 8 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.085 -1.365 18049
3260 1 8 . 1 1 22 22 HIS N N 22 121.576 121.576 116.548 5.028 18049
3261 1 8 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.804 -3.320 18049
3262 1 8 . 1 1 22 22 HIS CB C 22 27.833 27.833 29.448 -1.615 18049
3263 1 8 . 1 1 22 22 HIS H H 22 7.882 7.882 8.287 -0.405 18049
3264 1 8 . 1 1 23 23 ILE N N 23 117.100 117.100 118.674 -1.574 18049
3265 1 8 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.186 -0.016 18049
3266 1 8 . 1 1 23 23 ILE CA C 23 57.420 57.420 59.428 -2.008 18049
3267 1 8 . 1 1 23 23 ILE CB C 23 36.980 36.980 35.768 1.212 18049
3268 1 8 . 1 1 23 23 ILE H H 23 8.660 8.660 7.543 1.117 18049
3269 1 8 . 1 1 24 24 ILE N N 24 126.524 126.524 121.040 5.484 18049
3270 1 8 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.288 -0.338 18049
3271 1 8 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.362 -2.672 18049
3272 1 8 . 1 1 24 24 ILE CB C 24 37.176 37.176 40.191 -3.015 18049
3273 1 8 . 1 1 24 24 ILE H H 24 8.486 8.486 7.348 1.138 18049
3274 1 8 . 1 1 25 25 CYS CA C 25 56.014 56.014 60.608 -4.594 18049
3275 1 8 . 1 1 25 25 CYS CB C 25 27.273 27.273 27.290 -0.017 18049
3276 1 8 . 1 1 26 26 SER N N 26 127.811 127.811 124.464 3.347 18049
3277 1 8 . 1 1 26 26 SER HA H 26 4.050 4.050 4.131 -0.081 18049
3278 1 8 . 1 1 26 26 SER CA C 26 58.170 58.170 60.237 -2.067 18049
3279 1 8 . 1 1 26 26 SER CB C 26 60.523 60.523 61.944 -1.421 18049
3280 1 8 . 1 1 26 26 SER H H 26 9.491 9.491 9.162 0.329 18049
3281 1 8 . 1 1 27 27 TYR N N 27 124.378 124.378 116.135 8.243 18049
3282 1 8 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.078 0.447 18049
3283 1 8 . 1 1 27 27 TYR CA C 27 57.890 57.890 60.137 -2.247 18049
3284 1 8 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.150 -0.057 18049
3285 1 8 . 1 1 27 27 TYR H H 27 9.389 9.389 8.009 1.380 18049
3286 1 8 . 1 1 28 28 CYS N N 28 126.900 126.900 114.966 11.934 18049
3287 1 8 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.899 -1.978 18049
3288 1 8 . 1 1 28 28 CYS CB C 28 30.198 30.198 31.209 -1.011 18049
3289 1 8 . 1 1 28 28 CYS H H 28 8.490 8.490 8.253 0.237 18049
3290 1 8 . 1 1 29 29 GLY N N 29 113.271 113.271 108.164 5.107 18049
3291 1 8 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.230 -0.882 18049
3292 1 8 . 1 1 29 29 GLY H H 29 7.792 7.792 7.432 0.360 18049
3293 1 8 . 1 1 30 30 ALA N N 30 124.805 124.805 122.676 2.129 18049
3294 1 8 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.489 -0.370 18049
3295 1 8 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.536 0.604 18049
3296 1 8 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.033 -3.313 18049
3297 1 8 . 1 1 30 30 ALA H H 30 8.541 8.541 8.084 0.457 18049
3298 1 8 . 1 1 31 31 THR N N 31 118.352 118.352 116.779 1.573 18049
3299 1 8 . 1 1 31 31 THR CA C 31 58.082 58.082 65.054 -6.972 18049
3300 1 8 . 1 1 31 31 THR CB C 31 67.072 67.072 68.653 -1.581 18049
3301 1 8 . 1 1 31 31 THR H H 31 8.544 8.544 8.779 -0.235 18049
3302 1 8 . 1 1 32 32 ASP N N 32 123.222 123.222 119.111 4.111 18049
3303 1 8 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.785 -0.742 18049
3304 1 8 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.167 -2.018 18049
3305 1 8 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.195 -4.748 18049
3306 1 8 . 1 1 32 32 ASP H H 32 9.768 9.768 8.318 1.450 18049
3307 1 8 . 1 1 33 33 ASP N N 33 116.889 116.889 119.504 -2.615 18049
3308 1 8 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.248 -0.928 18049
3309 1 8 . 1 1 33 33 ASP CB C 33 43.190 43.190 43.235 -0.045 18049
3310 1 8 . 1 1 33 33 ASP H H 33 8.111 8.111 7.805 0.306 18049
3311 1 8 . 1 1 34 34 HIS N N 34 110.849 110.849 119.789 -8.940 18049
3312 1 8 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.252 -4.062 18049
3313 1 8 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.259 7.511 18049
3314 1 8 . 1 1 34 34 HIS H H 34 6.959 6.959 7.879 -0.920 18049
3315 1 8 . 1 1 35 35 TYR N N 35 117.529 117.529 124.954 -7.425 18049
3316 1 8 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.408 -2.271 18049
3317 1 8 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.218 -3.651 18049
3318 1 8 . 1 1 35 35 TYR H H 35 8.813 8.813 8.421 0.392 18049
3319 1 8 . 1 1 36 36 SER N N 36 121.984 121.984 119.364 2.620 18049
3320 1 8 . 1 1 36 36 SER CA C 36 57.520 57.520 60.803 -3.283 18049
3321 1 8 . 1 1 36 36 SER CB C 36 59.800 59.800 63.062 -3.261 18049
3322 1 8 . 1 1 36 36 SER H H 36 8.518 8.518 8.824 -0.306 18049
3323 1 8 . 1 1 37 37 ARG N N 37 119.707 119.707 119.055 0.652 18049
3324 1 8 . 1 1 37 37 ARG CA C 37 51.671 51.671 58.010 -6.339 18049
3325 1 8 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.927 -2.834 18049
3326 1 8 . 1 1 37 37 ARG H H 37 7.963 7.963 8.696 -0.733 18049
3327 1 8 . 1 1 38 38 HIS N N 38 125.394 125.394 113.881 11.513 18049
3328 1 8 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.690 0.586 18049
3329 1 8 . 1 1 38 38 HIS H H 38 7.443 7.443 7.566 -0.123 18049
3330 1 8 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.235 0.215 18049
3331 1 8 . 1 1 39 39 CYS CA C 39 51.680 51.680 64.091 -12.411 18049
3332 1 8 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.508 2.732 18049
3333 1 8 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.615 -0.305 18049
3334 1 8 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.171 -3.731 18049
3335 1 8 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.592 -1.292 18049
3336 1 8 . 1 1 41 41 LYS N N 41 121.400 121.400 118.085 3.315 18049
3337 1 8 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.377 -0.298 18049
3338 1 8 . 1 1 41 41 LYS CA C 41 53.680 53.680 58.482 -4.802 18049
3339 1 8 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.633 -1.992 18049
3340 1 8 . 1 1 41 41 LYS H H 41 8.650 8.650 7.592 1.058 18049
3341 1 8 . 1 1 42 42 ALA N N 42 122.096 122.096 119.180 2.916 18049
3342 1 8 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.386 -0.867 18049
3343 1 8 . 1 1 42 42 ALA CA C 42 49.591 49.591 53.600 -4.009 18049
3344 1 8 . 1 1 42 42 ALA CB C 42 16.456 16.456 19.842 -3.386 18049
3345 1 8 . 1 1 42 42 ALA H H 42 7.201 7.201 7.544 -0.343 18049
3346 1 8 . 1 1 43 43 ILE N N 43 119.646 119.646 115.999 3.647 18049
3347 1 8 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.318 -0.587 18049
3348 1 8 . 1 1 43 43 ILE CA C 43 57.966 57.966 61.346 -3.380 18049
3349 1 8 . 1 1 43 43 ILE CB C 43 35.977 35.977 40.419 -4.442 18049
3350 1 8 . 1 1 43 43 ILE H H 43 7.086 7.086 7.599 -0.513 18049
3351 1 8 . 1 1 44 44 GLN N N 44 125.541 125.541 117.269 8.272 18049
3352 1 8 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.773 -0.341 18049
3353 1 8 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.967 -2.231 18049
3354 1 8 . 1 1 44 44 GLN CB C 44 28.084 28.084 32.234 -4.150 18049
3355 1 8 . 1 1 44 44 GLN H H 44 7.980 7.980 7.929 0.051 18049
3356 1 8 . 1 1 45 45 CYS N N 45 130.678 130.678 116.739 13.939 18049
3357 1 8 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.977 -0.857 18049
3358 1 8 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.348 0.982 18049
3359 1 8 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.682 -2.682 18049
3360 1 8 . 1 1 45 45 CYS H H 45 8.353 8.353 8.060 0.293 18049
3361 1 8 . 1 1 46 46 SER N N 46 124.273 124.273 113.972 10.301 18049
3362 1 8 . 1 1 46 46 SER HA H 46 4.334 4.334 4.334 0.000 18049
3363 1 8 . 1 1 46 46 SER CA C 46 56.923 56.923 60.260 -3.337 18049
3364 1 8 . 1 1 46 46 SER CB C 46 60.400 60.400 62.993 -2.593 18049
3365 1 8 . 1 1 46 46 SER H H 46 8.466 8.466 8.550 -0.084 18049
3366 1 8 . 1 1 47 47 LYS N N 47 127.929 127.929 120.413 7.516 18049
3367 1 8 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.465 -0.105 18049
3368 1 8 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.335 -0.015 18049
3369 1 8 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.295 -1.995 18049
3370 1 8 . 1 1 47 47 LYS H H 47 9.720 9.720 8.616 1.104 18049
3371 1 8 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.847 -0.257 18049
3372 1 8 . 1 1 48 48 CYS CA C 48 51.500 51.500 56.502 -5.003 18049
3373 1 8 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.728 -2.628 18049
3374 1 8 . 1 1 48 48 CYS H H 48 8.600 8.600 7.555 1.045 18049
3375 1 8 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.592 0.118 18049
3376 1 8 . 1 1 49 49 ASP CA C 49 54.300 54.300 55.186 -0.886 18049
3377 1 8 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.399 0.801 18049
3378 1 8 . 1 1 49 49 ASP H H 49 8.830 8.830 8.697 0.133 18049
3379 1 8 . 1 1 50 50 GLU N N 50 118.700 118.700 117.166 1.534 18049
3380 1 8 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.573 -0.278 18049
3381 1 8 . 1 1 50 50 GLU CA C 50 54.340 54.340 54.449 -0.109 18049
3382 1 8 . 1 1 50 50 GLU CB C 50 28.500 28.500 34.381 -5.881 18049
3383 1 8 . 1 1 50 50 GLU H H 50 8.226 8.226 7.540 0.686 18049
3384 1 8 . 1 1 51 51 VAL N N 51 118.593 118.593 120.499 -1.906 18049
3385 1 8 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.859 0.414 18049
3386 1 8 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.012 -4.632 18049
3387 1 8 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.479 -1.229 18049
3388 1 8 . 1 1 51 51 VAL H H 51 8.216 8.216 8.667 -0.451 18049
3389 1 8 . 1 1 52 52 GLY N N 52 110.908 110.908 115.727 -4.819 18049
3390 1 8 . 1 1 52 52 GLY CA C 52 42.690 42.690 46.018 -3.328 18049
3391 1 8 . 1 1 52 52 GLY H H 52 8.630 8.630 8.470 0.160 18049
3392 1 8 . 1 1 53 53 HIS N N 53 113.633 113.633 118.562 -4.929 18049
3393 1 8 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.743 -0.153 18049
3394 1 8 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.840 -2.389 18049
3395 1 8 . 1 1 53 53 HIS CB C 53 28.040 28.040 31.255 -3.215 18049
3396 1 8 . 1 1 53 53 HIS H H 53 6.855 6.855 8.374 -1.519 18049
3397 1 8 . 1 1 54 54 TYR N N 54 115.154 115.154 120.341 -5.187 18049
3398 1 8 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.559 -0.389 18049
3399 1 8 . 1 1 54 54 TYR CA C 54 53.800 53.800 58.141 -4.341 18049
3400 1 8 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.874 -2.245 18049
3401 1 8 . 1 1 54 54 TYR H H 54 8.054 8.054 8.139 -0.085 18049
3402 1 8 . 1 1 55 55 ARG N N 55 126.509 126.509 122.555 3.954 18049
3403 1 8 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.104 -0.505 18049
3404 1 8 . 1 1 55 55 ARG CA C 55 55.823 55.823 58.204 -2.381 18049
3405 1 8 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.841 -3.620 18049
3406 1 8 . 1 1 55 55 ARG H H 55 8.490 8.490 8.921 -0.431 18049
3407 1 8 . 1 1 56 56 SER N N 56 116.450 116.450 109.633 6.817 18049
3408 1 8 . 1 1 56 56 SER CA C 56 56.523 56.523 59.261 -2.738 18049
3409 1 8 . 1 1 56 56 SER CB C 56 62.261 62.261 63.368 -1.107 18049
3410 1 8 . 1 1 56 56 SER H H 56 8.247 8.247 8.064 0.183 18049
3411 1 8 . 1 1 57 57 GLN N N 57 124.678 124.678 119.300 5.378 18049
3412 1 8 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.532 -0.358 18049
3413 1 8 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.448 -2.838 18049
3414 1 8 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.594 -4.534 18049
3415 1 8 . 1 1 57 57 GLN H H 57 8.702 8.702 7.769 0.933 18049
3416 1 8 . 1 1 58 58 CYS N N 58 126.577 126.577 121.273 5.304 18049
3417 1 8 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.727 -0.311 18049
3418 1 8 . 1 1 58 58 CYS CA C 58 55.001 55.001 56.464 -1.463 18049
3419 1 8 . 1 1 58 58 CYS CB C 58 31.080 31.080 29.024 2.056 18049
3420 1 8 . 1 1 58 58 CYS H H 58 7.694 7.694 8.161 -0.467 18049
3421 1 8 . 1 1 62 62 TRP CA C 62 59.791 59.791 58.120 1.671 18049
3422 1 8 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.498 -2.087 18049
3423 1 8 . 1 1 63 63 LYS N N 63 121.641 121.641 128.179 -6.538 18049
3424 1 8 . 1 1 63 63 LYS CA C 63 52.372 52.372 54.378 -2.006 18049
3425 1 8 . 1 1 63 63 LYS CB C 63 27.792 27.792 34.949 -7.157 18049
3426 1 8 . 1 1 63 63 LYS H H 63 8.033 8.033 7.875 0.158 18049
3427 1 8 . 1 1 64 64 LYS N N 64 111.775 111.775 121.212 -9.437 18049
3428 1 8 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.125 -1.382 18049
3429 1 8 . 1 1 64 64 LYS H H 64 8.104 8.104 7.876 0.228 18049
3430 1 8 . 1 1 65 65 VAL N N 65 122.037 122.037 119.086 2.951 18049
3431 1 8 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.532 -0.492 18049
3432 1 8 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.968 -2.678 18049
3433 1 8 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.691 -4.280 18049
3434 1 8 . 1 1 65 65 VAL H H 65 8.306 8.306 8.257 0.049 18049
3435 1 8 . 1 1 66 66 GLN N N 66 121.994 121.994 122.173 -0.179 18049
3436 1 8 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.349 -2.746 18049
3437 1 8 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.676 1.624 18049
3438 1 8 . 1 1 66 66 GLN H H 66 8.360 8.360 8.666 -0.306 18049
3439 1 8 . 1 1 67 67 CYS N N 67 121.582 121.582 122.449 -0.867 18049
3440 1 8 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.633 -0.594 18049
3441 1 8 . 1 1 67 67 CYS CA C 67 59.215 59.215 57.411 1.804 18049
3442 1 8 . 1 1 67 67 CYS CB C 67 30.532 30.532 25.901 4.631 18049
3443 1 8 . 1 1 67 67 CYS H H 67 8.032 8.032 8.136 -0.104 18049
3444 1 8 . 1 1 68 68 THR HA H 68 4.046 4.046 3.813 0.233 18049
3445 1 8 . 1 1 68 68 THR CA C 68 61.228 61.228 64.932 -3.704 18049
3446 1 8 . 1 1 68 68 THR CB C 68 65.371 65.371 67.454 -2.083 18049
3447 1 8 . 1 1 69 69 LEU N N 69 124.335 124.335 119.018 5.317 18049
3448 1 8 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.710 -0.328 18049
3449 1 8 . 1 1 69 69 LEU CA C 69 54.429 54.429 54.775 -0.346 18049
3450 1 8 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.775 -2.985 18049
3451 1 8 . 1 1 69 69 LEU H H 69 9.024 9.024 7.668 1.356 18049
3452 1 8 . 1 1 70 70 CYS N N 70 118.876 118.876 120.929 -2.053 18049
3453 1 8 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.352 -0.016 18049
3454 1 8 . 1 1 70 70 CYS CA C 70 53.145 53.145 59.421 -6.276 18049
3455 1 8 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.047 1.816 18049
3456 1 8 . 1 1 70 70 CYS H H 70 8.716 8.716 7.768 0.948 18049
3457 1 8 . 1 1 71 71 LYS N N 71 122.961 122.961 122.110 0.851 18049
3458 1 8 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.662 -0.495 18049
3459 1 8 . 1 1 71 71 LYS CA C 71 53.835 53.835 54.430 -0.595 18049
3460 1 8 . 1 1 71 71 LYS CB C 71 33.520 33.520 35.211 -1.691 18049
3461 1 8 . 1 1 71 71 LYS H H 71 8.505 8.505 8.789 -0.284 18049
3462 1 8 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.439 -0.201 18049
3463 1 8 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.577 -2.334 18049
3464 1 8 . 1 1 75 75 HIS N N 75 111.915 111.915 115.492 -3.577 18049
3465 1 8 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.929 -0.469 18049
3466 1 8 . 1 1 75 75 HIS CA C 75 52.255 52.255 54.468 -2.213 18049
3467 1 8 . 1 1 75 75 HIS CB C 75 28.700 28.700 31.305 -2.605 18049
3468 1 8 . 1 1 75 75 HIS H H 75 6.732 6.732 7.688 -0.956 18049
3469 1 8 . 1 1 78 78 GLU N N 78 118.980 118.980 119.973 -0.993 18049
3470 1 8 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.166 -0.156 18049
3471 1 8 . 1 1 78 78 GLU CA C 78 56.480 56.480 55.525 0.955 18049
3472 1 8 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.416 5.934 18049
3473 1 8 . 1 1 78 78 GLU H H 78 8.831 8.831 7.746 1.085 18049
3474 1 8 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.353 -0.073 18049
3475 1 8 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.742 -3.230 18049
3476 1 8 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.755 -2.240 18049
3477 1 8 . 1 1 82 82 SER N N 82 116.172 116.172 112.257 3.915 18049
3478 1 8 . 1 1 82 82 SER HA H 82 4.105 4.105 4.330 -0.225 18049
3479 1 8 . 1 1 82 82 SER CA C 82 58.317 58.317 58.506 -0.189 18049
3480 1 8 . 1 1 82 82 SER CB C 82 60.104 60.104 63.011 -2.907 18049
3481 1 8 . 1 1 82 82 SER H H 82 8.684 8.684 8.329 0.355 18049
3482 1 8 . 1 1 83 83 ILE N N 83 118.847 118.847 122.109 -3.262 18049
3483 1 8 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.599 -2.431 18049
3484 1 8 . 1 1 83 83 ILE CB C 83 38.482 38.482 37.759 0.723 18049
3485 1 8 . 1 1 83 83 ILE H H 83 7.424 7.424 7.329 0.095 18049
3486 1 8 . 1 1 84 84 TRP N N 84 115.140 115.140 129.422 -14.282 18049
3487 1 8 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.779 -3.186 18049
3488 1 8 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.918 -5.050 18049
3489 1 8 . 1 1 84 84 TRP H H 84 8.131 8.131 8.418 -0.287 18049
3490 1 8 . 1 1 85 85 ARG N N 85 118.936 118.936 120.285 -1.349 18049
3491 1 8 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.512 -5.294 18049
3492 1 8 . 1 1 85 85 ARG CB C 85 29.330 29.330 29.766 -0.436 18049
3493 1 8 . 1 1 85 85 ARG H H 85 7.884 7.884 8.262 -0.378 18049
3494 1 8 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.157 -0.187 18049
3495 1 8 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.151 -1.131 18049
3496 1 8 . 1 1 86 86 ALA CB C 86 16.400 16.400 20.254 -3.854 18049
3497 1 8 . 1 1 87 87 TYR N N 87 117.965 117.965 118.528 -0.563 18049
3498 1 8 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.694 -0.238 18049
3499 1 8 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.453 -2.526 18049
3500 1 8 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.006 0.006 18049
3501 1 8 . 1 1 87 87 TYR H H 87 7.733 7.733 8.261 -0.528 18049
3502 1 8 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.890 0.751 18049
3503 1 8 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.367 -5.568 18049
3504 1 8 . 1 1 90 90 VAL N N 90 118.969 118.969 118.159 0.810 18049
3505 1 8 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.072 -2.962 18049
3506 1 8 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.235 -2.108 18049
3507 1 8 . 1 1 90 90 VAL H H 90 8.944 8.944 7.657 1.287 18049
3508 1 8 . 1 1 91 91 ASP N N 91 127.947 127.947 123.882 4.065 18049
3509 1 8 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.409 -3.441 18049
3510 1 8 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.999 -3.138 18049
3511 1 8 . 1 1 91 91 ASP H H 91 8.320 8.320 8.266 0.054 18049
3512 1 8 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.697 -1.679 18049
3513 1 8 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.858 -3.410 18049
3514 1 8 . 1 1 93 93 ASN N N 93 118.727 118.727 119.502 -0.775 18049
3515 1 8 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.883 -1.730 18049
3516 1 8 . 1 1 93 93 ASN CB C 93 36.371 36.371 40.105 -3.734 18049
3517 1 8 . 1 1 93 93 ASN H H 93 8.396 8.396 8.377 0.019 18049
3518 1 8 . 1 1 94 94 GLU N N 94 120.824 120.824 118.862 1.962 18049
3519 1 8 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.188 -2.799 18049
3520 1 8 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.120 -2.850 18049
3521 1 8 . 1 1 94 94 GLU H H 94 8.266 8.266 8.422 -0.156 18049
3522 1 8 . 1 1 95 95 LYS N N 95 121.079 121.079 120.967 0.112 18049
3523 1 8 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.634 -0.478 18049
3524 1 8 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.309 -1.468 18049
3525 1 8 . 1 1 95 95 LYS CB C 95 30.173 30.173 34.251 -4.078 18049
3526 1 8 . 1 1 95 95 LYS H H 95 8.055 8.055 8.359 -0.304 18049
3527 1 8 . 1 1 96 96 ALA N N 96 124.103 124.103 123.709 0.394 18049
3528 1 8 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.668 -0.466 18049
3529 1 8 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.832 -2.105 18049
3530 1 8 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.456 -3.704 18049
3531 1 8 . 1 1 96 96 ALA H H 96 8.053 8.053 8.404 -0.351 18049
3532 1 8 . 1 1 97 97 LYS N N 97 121.893 121.893 121.278 0.615 18049
3533 1 8 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.818 0.067 18049
3534 1 8 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.485 -3.026 18049
3535 1 8 . 1 1 97 97 LYS H H 97 8.091 8.091 8.498 -0.407 18049
3536 1 8 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.606 -0.170 18049
3537 1 8 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.786 -2.761 18049
3538 1 8 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.380 -2.838 18049
3539 1 8 . 1 1 99 99 LYS N N 99 121.497 121.497 120.285 1.212 18049
3540 1 8 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.388 -0.023 18049
3541 1 8 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.330 -3.671 18049
3542 1 8 . 1 1 99 99 LYS CB C 99 31.973 31.973 32.752 -0.778 18049
3543 1 8 . 1 1 99 99 LYS H H 99 8.241 8.241 8.442 -0.201 18049
3544 1 8 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.592 -0.325 18049
3545 1 8 . 1 1 102 102 PRO CA C 102 61.403 61.403 64.084 -2.681 18049
3546 1 8 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.154 -2.697 18049
3547 1 8 . 1 1 103 103 PHE N N 103 118.755 118.755 119.810 -1.055 18049
3548 1 8 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.815 -2.756 18049
3549 1 8 . 1 1 103 103 PHE H H 103 8.675 8.675 8.292 0.383 18049
3550 1 8 . 1 1 105 105 THR HA H 105 4.630 4.630 4.271 0.359 18049
3551 1 8 . 1 1 105 105 THR CA C 105 59.356 59.356 61.855 -2.499 18049
3552 1 8 . 1 1 105 105 THR CB C 105 67.299 67.299 69.897 -2.598 18049
3553 1 8 . 1 1 106 106 ILE N N 106 124.035 124.035 121.009 3.026 18049
3554 1 8 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.334 0.297 18049
3555 1 8 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.169 -2.439 18049
3556 1 8 . 1 1 106 106 ILE CB C 106 36.907 36.907 40.238 -3.331 18049
3557 1 8 . 1 1 106 106 ILE H H 106 7.833 7.833 7.781 0.052 18049
3558 1 8 . 1 1 107 107 TYR N N 107 118.339 118.339 120.422 -2.083 18049
3559 1 8 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.966 -0.426 18049
3560 1 8 . 1 1 107 107 TYR CA C 107 55.828 55.828 55.924 -0.096 18049
3561 1 8 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.763 -3.523 18049
3562 1 8 . 1 1 107 107 TYR H H 107 8.925 8.925 7.839 1.086 18049
3563 1 8 . 1 1 108 108 CYS N N 108 130.380 130.380 119.110 11.270 18049
3564 1 8 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.623 -0.503 18049
3565 1 8 . 1 1 108 108 CYS CA C 108 55.950 55.950 59.433 -3.483 18049
3566 1 8 . 1 1 108 108 CYS CB C 108 27.900 27.900 29.659 -1.758 18049
3567 1 8 . 1 1 108 108 CYS H H 108 8.335 8.335 8.746 -0.411 18049
3568 1 8 . 1 1 109 109 TYR N N 109 126.618 126.618 128.328 -1.710 18049
3569 1 8 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.817 -0.417 18049
3570 1 8 . 1 1 109 109 TYR CA C 109 56.270 56.270 57.476 -1.206 18049
3571 1 8 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.699 -4.199 18049
3572 1 8 . 1 1 109 109 TYR H H 109 8.011 8.011 8.917 -0.906 18049
3573 1 8 . 1 1 110 110 ASN N N 110 125.398 125.398 119.010 6.388 18049
3574 1 8 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.980 -0.178 18049
3575 1 8 . 1 1 110 110 ASN CA C 110 53.569 53.569 53.206 0.363 18049
3576 1 8 . 1 1 110 110 ASN CB C 110 37.922 37.922 40.559 -2.637 18049
3577 1 8 . 1 1 110 110 ASN H H 110 9.284 9.284 7.794 1.490 18049
3578 1 8 . 1 1 111 111 CYS N N 111 118.921 118.921 114.400 4.521 18049
3579 1 8 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.085 0.825 18049
3580 1 8 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.705 -3.719 18049
3581 1 8 . 1 1 111 111 CYS CB C 111 30.172 30.172 26.672 3.500 18049
3582 1 8 . 1 1 111 111 CYS H H 111 9.171 9.171 8.804 0.367 18049
3583 1 8 . 1 1 112 112 GLY N N 112 114.064 114.064 108.755 5.309 18049
3584 1 8 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.624 -1.343 18049
3585 1 8 . 1 1 112 112 GLY H H 112 7.840 7.840 7.677 0.163 18049
3586 1 8 . 1 1 113 113 GLY N N 113 112.541 112.541 106.506 6.035 18049
3587 1 8 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.184 -2.991 18049
3588 1 8 . 1 1 113 113 GLY H H 113 9.023 9.023 8.140 0.883 18049
3589 1 8 . 1 1 114 114 LYS N N 114 119.130 119.130 120.777 -1.647 18049
3590 1 8 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.372 -0.112 18049
3591 1 8 . 1 1 114 114 LYS CA C 114 52.750 52.750 58.336 -5.585 18049
3592 1 8 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.785 -1.105 18049
3593 1 8 . 1 1 114 114 LYS H H 114 8.200 8.200 8.628 -0.428 18049
3594 1 8 . 1 1 115 115 GLY N N 115 108.864 108.864 106.374 2.490 18049
3595 1 8 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.651 -2.578 18049
3596 1 8 . 1 1 115 115 GLY H H 115 8.501 8.501 8.369 0.132 18049
3597 1 8 . 1 1 116 116 HIS N N 116 113.173 113.173 119.504 -6.331 18049
3598 1 8 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.313 0.118 18049
3599 1 8 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.398 -1.998 18049
3600 1 8 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.156 -2.626 18049
3601 1 8 . 1 1 116 116 HIS H H 116 6.665 6.665 7.603 -0.938 18049
3602 1 8 . 1 1 117 117 PHE N N 117 116.353 116.353 116.608 -0.255 18049
3603 1 8 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.151 0.529 18049
3604 1 8 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.869 -3.785 18049
3605 1 8 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.422 1.843 18049
3606 1 8 . 1 1 117 117 PHE H H 117 8.529 8.529 8.421 0.108 18049
3607 1 8 . 1 1 118 118 GLY N N 118 108.977 108.977 108.062 0.915 18049
3608 1 8 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.189 -0.828 18049
3609 1 8 . 1 1 118 118 GLY H H 118 8.870 8.870 8.654 0.216 18049
3610 1 8 . 1 1 119 119 ASP N N 119 117.997 117.997 118.672 -0.675 18049
3611 1 8 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.527 -0.183 18049
3612 1 8 . 1 1 119 119 ASP CA C 119 53.504 53.504 55.906 -2.402 18049
3613 1 8 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.068 -3.258 18049
3614 1 8 . 1 1 119 119 ASP H H 119 7.892 7.892 8.079 -0.187 18049
3615 1 8 . 1 1 120 120 ASP N N 120 116.782 116.782 116.984 -0.202 18049
3616 1 8 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.720 0.135 18049
3617 1 8 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.699 -4.014 18049
3618 1 8 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.778 -2.579 18049
3619 1 8 . 1 1 120 120 ASP H H 120 7.730 7.730 8.005 -0.275 18049
3620 1 8 . 1 1 121 121 CYS N N 121 125.836 125.836 118.831 7.005 18049
3621 1 8 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.378 0.402 18049
3622 1 8 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.781 -3.714 18049
3623 1 8 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.971 0.229 18049
3624 1 8 . 1 1 121 121 CYS H H 121 7.667 7.667 7.977 -0.310 18049
3625 1 9 . 1 1 3 3 ALA N N 3 125.353 125.353 122.461 2.892 18049
3626 1 9 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.141 0.054 18049
3627 1 9 . 1 1 3 3 ALA CA C 3 49.578 49.578 52.122 -2.544 18049
3628 1 9 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.109 -1.298 18049
3629 1 9 . 1 1 3 3 ALA H H 3 8.182 8.182 8.329 -0.147 18049
3630 1 9 . 1 1 4 4 ALA N N 4 124.707 124.707 122.341 2.366 18049
3631 1 9 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.068 0.392 18049
3632 1 9 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.681 -5.921 18049
3633 1 9 . 1 1 4 4 ALA CB C 4 15.798 15.798 18.028 -2.230 18049
3634 1 9 . 1 1 4 4 ALA H H 4 8.151 8.151 8.540 -0.389 18049
3635 1 9 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.458 0.012 18049
3636 1 9 . 1 1 5 5 PRO CA C 5 59.320 59.320 62.846 -3.526 18049
3637 1 9 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.961 -2.161 18049
3638 1 9 . 1 1 6 6 LYS N N 6 121.400 121.400 119.412 1.988 18049
3639 1 9 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.896 0.367 18049
3640 1 9 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.224 -4.594 18049
3641 1 9 . 1 1 6 6 LYS CB C 6 32.000 32.000 32.812 -0.812 18049
3642 1 9 . 1 1 6 6 LYS H H 6 8.230 8.230 7.911 0.319 18049
3643 1 9 . 1 1 7 7 CYS N N 7 128.995 128.995 116.928 12.067 18049
3644 1 9 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.577 -0.463 18049
3645 1 9 . 1 1 7 7 CYS CA C 7 57.020 57.020 60.187 -3.167 18049
3646 1 9 . 1 1 7 7 CYS CB C 7 27.720 27.720 28.441 -0.721 18049
3647 1 9 . 1 1 7 7 CYS H H 7 8.354 8.354 8.590 -0.236 18049
3648 1 9 . 1 1 8 8 ASN N N 8 127.325 127.325 122.486 4.839 18049
3649 1 9 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.530 0.175 18049
3650 1 9 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.386 -3.475 18049
3651 1 9 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.046 -3.116 18049
3652 1 9 . 1 1 8 8 ASN H H 8 8.659 8.659 8.842 -0.183 18049
3653 1 9 . 1 1 9 9 ASN N N 9 122.394 122.394 114.951 7.443 18049
3654 1 9 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.749 0.051 18049
3655 1 9 . 1 1 9 9 ASN CA C 9 53.312 53.312 54.114 -0.802 18049
3656 1 9 . 1 1 9 9 ASN CB C 9 37.875 37.875 38.593 -0.718 18049
3657 1 9 . 1 1 9 9 ASN H H 9 9.861 9.861 7.779 2.082 18049
3658 1 9 . 1 1 10 10 CYS N N 10 117.508 117.508 120.111 -2.603 18049
3659 1 9 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.416 0.289 18049
3660 1 9 . 1 1 10 10 CYS CA C 10 56.350 56.350 60.313 -3.963 18049
3661 1 9 . 1 1 10 10 CYS CB C 10 29.540 29.540 27.498 2.042 18049
3662 1 9 . 1 1 10 10 CYS H H 10 8.814 8.814 8.007 0.807 18049
3663 1 9 . 1 1 11 11 SER N N 11 115.934 115.934 110.212 5.722 18049
3664 1 9 . 1 1 11 11 SER HA H 11 4.150 4.150 4.050 0.100 18049
3665 1 9 . 1 1 11 11 SER CA C 11 58.769 58.769 59.584 -0.815 18049
3666 1 9 . 1 1 11 11 SER CB C 11 59.635 59.635 62.259 -2.624 18049
3667 1 9 . 1 1 11 11 SER H H 11 7.821 7.821 8.780 -0.959 18049
3668 1 9 . 1 1 12 12 GLN N N 12 120.325 120.325 116.728 3.597 18049
3669 1 9 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.405 -0.044 18049
3670 1 9 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.679 -2.809 18049
3671 1 9 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.111 -2.199 18049
3672 1 9 . 1 1 12 12 GLN H H 12 8.311 8.311 8.377 -0.066 18049
3673 1 9 . 1 1 13 13 ARG N N 13 118.657 118.657 119.575 -0.918 18049
3674 1 9 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.512 -0.144 18049
3675 1 9 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.173 -2.143 18049
3676 1 9 . 1 1 13 13 ARG CB C 13 32.300 32.300 31.707 0.593 18049
3677 1 9 . 1 1 13 13 ARG H H 13 8.430 8.430 7.811 0.619 18049
3678 1 9 . 1 1 14 14 GLY N N 14 107.015 107.015 108.871 -1.856 18049
3679 1 9 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.163 -2.433 18049
3680 1 9 . 1 1 14 14 GLY H H 14 8.706 8.706 8.531 0.175 18049
3681 1 9 . 1 1 15 15 HIS N N 15 113.397 113.397 118.502 -5.105 18049
3682 1 9 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.666 -0.066 18049
3683 1 9 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.040 -0.604 18049
3684 1 9 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.010 -0.123 18049
3685 1 9 . 1 1 15 15 HIS H H 15 6.998 6.998 7.537 -0.539 18049
3686 1 9 . 1 1 16 16 LEU N N 16 117.239 117.239 122.091 -4.852 18049
3687 1 9 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.406 0.179 18049
3688 1 9 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.974 -4.445 18049
3689 1 9 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.354 -0.158 18049
3690 1 9 . 1 1 16 16 LEU H H 16 8.614 8.614 7.934 0.680 18049
3691 1 9 . 1 1 17 17 LYS N N 17 122.561 122.561 121.351 1.210 18049
3692 1 9 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.868 0.912 18049
3693 1 9 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.428 -1.664 18049
3694 1 9 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.974 -2.173 18049
3695 1 9 . 1 1 17 17 LYS H H 17 8.681 8.681 8.184 0.497 18049
3696 1 9 . 1 1 18 18 LYS N N 18 117.626 117.626 112.783 4.843 18049
3697 1 9 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.222 -0.118 18049
3698 1 9 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.733 -1.914 18049
3699 1 9 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.467 -2.712 18049
3700 1 9 . 1 1 18 18 LYS H H 18 8.320 8.320 8.342 -0.022 18049
3701 1 9 . 1 1 19 19 ASP N N 19 118.071 118.071 120.011 -1.940 18049
3702 1 9 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.679 0.171 18049
3703 1 9 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.871 -5.039 18049
3704 1 9 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.034 -2.134 18049
3705 1 9 . 1 1 19 19 ASP H H 19 7.770 7.770 7.820 -0.050 18049
3706 1 9 . 1 1 20 20 CYS N N 20 123.265 123.265 119.049 4.216 18049
3707 1 9 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.912 -0.210 18049
3708 1 9 . 1 1 20 20 CYS CA C 20 59.556 59.556 57.184 2.372 18049
3709 1 9 . 1 1 20 20 CYS CB C 20 28.496 28.496 29.090 -0.594 18049
3710 1 9 . 1 1 20 20 CYS H H 20 7.275 7.275 7.820 -0.545 18049
3711 1 9 . 1 1 21 21 PRO CA C 21 58.900 58.900 64.276 -5.376 18049
3712 1 9 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.098 -1.378 18049
3713 1 9 . 1 1 22 22 HIS N N 22 121.576 121.576 118.967 2.609 18049
3714 1 9 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.195 -2.711 18049
3715 1 9 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.313 -2.480 18049
3716 1 9 . 1 1 22 22 HIS H H 22 7.882 7.882 7.584 0.298 18049
3717 1 9 . 1 1 23 23 ILE N N 23 117.100 117.100 119.165 -2.065 18049
3718 1 9 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.528 -0.358 18049
3719 1 9 . 1 1 23 23 ILE CA C 23 57.420 57.420 59.949 -2.529 18049
3720 1 9 . 1 1 23 23 ILE CB C 23 36.980 36.980 41.536 -4.556 18049
3721 1 9 . 1 1 23 23 ILE H H 23 8.660 8.660 8.143 0.517 18049
3722 1 9 . 1 1 24 24 ILE N N 24 126.524 126.524 116.777 9.747 18049
3723 1 9 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.560 0.390 18049
3724 1 9 . 1 1 24 24 ILE CA C 24 56.690 56.690 62.151 -5.461 18049
3725 1 9 . 1 1 24 24 ILE CB C 24 37.176 37.176 35.865 1.311 18049
3726 1 9 . 1 1 24 24 ILE H H 24 8.486 8.486 8.811 -0.325 18049
3727 1 9 . 1 1 25 25 CYS CA C 25 56.014 56.014 60.092 -4.078 18049
3728 1 9 . 1 1 25 25 CYS CB C 25 27.273 27.273 25.280 1.993 18049
3729 1 9 . 1 1 26 26 SER N N 26 127.811 127.811 113.522 14.289 18049
3730 1 9 . 1 1 26 26 SER HA H 26 4.050 4.050 3.832 0.218 18049
3731 1 9 . 1 1 26 26 SER CA C 26 58.170 58.170 59.526 -1.356 18049
3732 1 9 . 1 1 26 26 SER CB C 26 60.523 60.523 61.685 -1.163 18049
3733 1 9 . 1 1 26 26 SER H H 26 9.491 9.491 7.815 1.676 18049
3734 1 9 . 1 1 27 27 TYR N N 27 124.378 124.378 114.102 10.276 18049
3735 1 9 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.032 0.493 18049
3736 1 9 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.475 -1.585 18049
3737 1 9 . 1 1 27 27 TYR CB C 27 37.093 37.093 35.843 1.250 18049
3738 1 9 . 1 1 27 27 TYR H H 27 9.389 9.389 7.772 1.617 18049
3739 1 9 . 1 1 28 28 CYS N N 28 126.900 126.900 120.120 6.780 18049
3740 1 9 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.548 -1.627 18049
3741 1 9 . 1 1 28 28 CYS CB C 28 30.198 30.198 26.370 3.828 18049
3742 1 9 . 1 1 28 28 CYS H H 28 8.490 8.490 7.759 0.731 18049
3743 1 9 . 1 1 29 29 GLY N N 29 113.271 113.271 110.007 3.264 18049
3744 1 9 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.719 -1.371 18049
3745 1 9 . 1 1 29 29 GLY H H 29 7.792 7.792 7.228 0.564 18049
3746 1 9 . 1 1 30 30 ALA N N 30 124.805 124.805 119.593 5.212 18049
3747 1 9 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.811 -0.692 18049
3748 1 9 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.086 0.054 18049
3749 1 9 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.009 -3.289 18049
3750 1 9 . 1 1 30 30 ALA H H 30 8.541 8.541 8.225 0.316 18049
3751 1 9 . 1 1 31 31 THR N N 31 118.352 118.352 112.731 5.621 18049
3752 1 9 . 1 1 31 31 THR CA C 31 58.082 58.082 65.173 -7.091 18049
3753 1 9 . 1 1 31 31 THR CB C 31 67.072 67.072 69.219 -2.147 18049
3754 1 9 . 1 1 31 31 THR H H 31 8.544 8.544 8.204 0.340 18049
3755 1 9 . 1 1 32 32 ASP N N 32 123.222 123.222 118.953 4.269 18049
3756 1 9 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.647 -0.604 18049
3757 1 9 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.494 -2.345 18049
3758 1 9 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.339 -4.892 18049
3759 1 9 . 1 1 32 32 ASP H H 32 9.768 9.768 8.509 1.259 18049
3760 1 9 . 1 1 33 33 ASP N N 33 116.889 116.889 121.675 -4.786 18049
3761 1 9 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.306 0.014 18049
3762 1 9 . 1 1 33 33 ASP CB C 33 43.190 43.190 39.616 3.574 18049
3763 1 9 . 1 1 33 33 ASP H H 33 8.111 8.111 8.475 -0.364 18049
3764 1 9 . 1 1 34 34 HIS N N 34 110.849 110.849 119.309 -8.460 18049
3765 1 9 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.521 -3.331 18049
3766 1 9 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.687 6.083 18049
3767 1 9 . 1 1 34 34 HIS H H 34 6.959 6.959 7.662 -0.703 18049
3768 1 9 . 1 1 35 35 TYR N N 35 117.529 117.529 123.526 -5.997 18049
3769 1 9 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.632 -2.495 18049
3770 1 9 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.884 -4.317 18049
3771 1 9 . 1 1 35 35 TYR H H 35 8.813 8.813 8.188 0.625 18049
3772 1 9 . 1 1 36 36 SER N N 36 121.984 121.984 117.493 4.491 18049
3773 1 9 . 1 1 36 36 SER CA C 36 57.520 57.520 60.711 -3.191 18049
3774 1 9 . 1 1 36 36 SER CB C 36 59.800 59.800 62.739 -2.938 18049
3775 1 9 . 1 1 36 36 SER H H 36 8.518 8.518 7.497 1.021 18049
3776 1 9 . 1 1 37 37 ARG N N 37 119.707 119.707 118.069 1.638 18049
3777 1 9 . 1 1 37 37 ARG CA C 37 51.671 51.671 56.543 -4.872 18049
3778 1 9 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.153 -3.060 18049
3779 1 9 . 1 1 37 37 ARG H H 37 7.963 7.963 7.843 0.120 18049
3780 1 9 . 1 1 38 38 HIS N N 38 125.394 125.394 115.677 9.717 18049
3781 1 9 . 1 1 38 38 HIS CA C 38 56.276 56.276 53.886 2.390 18049
3782 1 9 . 1 1 38 38 HIS H H 38 7.443 7.443 7.837 -0.394 18049
3783 1 9 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.123 0.327 18049
3784 1 9 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.676 -11.996 18049
3785 1 9 . 1 1 39 39 CYS CB C 39 28.240 28.240 27.100 1.140 18049
3786 1 9 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.371 -0.061 18049
3787 1 9 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.157 -3.717 18049
3788 1 9 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.848 -1.548 18049
3789 1 9 . 1 1 41 41 LYS N N 41 121.400 121.400 120.657 0.743 18049
3790 1 9 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.297 -0.218 18049
3791 1 9 . 1 1 41 41 LYS CA C 41 53.680 53.680 57.013 -3.333 18049
3792 1 9 . 1 1 41 41 LYS CB C 41 29.641 29.641 32.877 -3.236 18049
3793 1 9 . 1 1 41 41 LYS H H 41 8.650 8.650 8.278 0.372 18049
3794 1 9 . 1 1 42 42 ALA N N 42 122.096 122.096 125.039 -2.943 18049
3795 1 9 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.551 -1.032 18049
3796 1 9 . 1 1 42 42 ALA CA C 42 49.591 49.591 51.312 -1.721 18049
3797 1 9 . 1 1 42 42 ALA CB C 42 16.456 16.456 21.454 -4.998 18049
3798 1 9 . 1 1 42 42 ALA H H 42 7.201 7.201 8.380 -1.179 18049
3799 1 9 . 1 1 43 43 ILE N N 43 119.646 119.646 119.185 0.461 18049
3800 1 9 . 1 1 43 43 ILE HA H 43 3.731 3.731 3.848 -0.117 18049
3801 1 9 . 1 1 43 43 ILE CA C 43 57.966 57.966 62.247 -4.281 18049
3802 1 9 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.843 -1.866 18049
3803 1 9 . 1 1 43 43 ILE H H 43 7.086 7.086 8.397 -1.311 18049
3804 1 9 . 1 1 44 44 GLN N N 44 125.541 125.541 124.830 0.711 18049
3805 1 9 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.746 -0.314 18049
3806 1 9 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.970 -3.234 18049
3807 1 9 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.268 -3.184 18049
3808 1 9 . 1 1 44 44 GLN H H 44 7.980 7.980 8.514 -0.534 18049
3809 1 9 . 1 1 45 45 CYS N N 45 130.678 130.678 120.711 9.967 18049
3810 1 9 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.859 -0.739 18049
3811 1 9 . 1 1 45 45 CYS CA C 45 57.330 57.330 57.541 -0.211 18049
3812 1 9 . 1 1 45 45 CYS CB C 45 28.000 28.000 28.920 -0.920 18049
3813 1 9 . 1 1 45 45 CYS H H 45 8.353 8.353 8.540 -0.187 18049
3814 1 9 . 1 1 46 46 SER N N 46 124.273 124.273 119.201 5.072 18049
3815 1 9 . 1 1 46 46 SER HA H 46 4.334 4.334 4.316 0.018 18049
3816 1 9 . 1 1 46 46 SER CA C 46 56.923 56.923 60.389 -3.466 18049
3817 1 9 . 1 1 46 46 SER CB C 46 60.400 60.400 63.511 -3.111 18049
3818 1 9 . 1 1 46 46 SER H H 46 8.466 8.466 8.723 -0.257 18049
3819 1 9 . 1 1 47 47 LYS N N 47 127.929 127.929 120.481 7.448 18049
3820 1 9 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.129 0.231 18049
3821 1 9 . 1 1 47 47 LYS CA C 47 56.320 56.320 58.368 -2.048 18049
3822 1 9 . 1 1 47 47 LYS CB C 47 31.300 31.300 30.691 0.609 18049
3823 1 9 . 1 1 47 47 LYS H H 47 9.720 9.720 9.021 0.699 18049
3824 1 9 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.768 -0.178 18049
3825 1 9 . 1 1 48 48 CYS CA C 48 51.500 51.500 60.575 -9.075 18049
3826 1 9 . 1 1 48 48 CYS CB C 48 28.100 28.100 29.468 -1.368 18049
3827 1 9 . 1 1 48 48 CYS H H 48 8.600 8.600 7.884 0.716 18049
3828 1 9 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.309 0.401 18049
3829 1 9 . 1 1 49 49 ASP CA C 49 54.300 54.300 56.783 -2.483 18049
3830 1 9 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.273 0.927 18049
3831 1 9 . 1 1 49 49 ASP H H 49 8.830 8.830 8.430 0.400 18049
3832 1 9 . 1 1 50 50 GLU N N 50 118.700 118.700 118.176 0.524 18049
3833 1 9 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.824 -0.529 18049
3834 1 9 . 1 1 50 50 GLU CA C 50 54.340 54.340 55.018 -0.678 18049
3835 1 9 . 1 1 50 50 GLU CB C 50 28.500 28.500 31.862 -3.362 18049
3836 1 9 . 1 1 50 50 GLU H H 50 8.226 8.226 7.937 0.289 18049
3837 1 9 . 1 1 51 51 VAL N N 51 118.593 118.593 120.932 -2.339 18049
3838 1 9 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.602 0.671 18049
3839 1 9 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.912 -5.532 18049
3840 1 9 . 1 1 51 51 VAL CB C 51 30.250 30.250 30.911 -0.661 18049
3841 1 9 . 1 1 51 51 VAL H H 51 8.216 8.216 9.258 -1.042 18049
3842 1 9 . 1 1 52 52 GLY N N 52 110.908 110.908 107.630 3.278 18049
3843 1 9 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.654 -1.964 18049
3844 1 9 . 1 1 52 52 GLY H H 52 8.630 8.630 7.860 0.770 18049
3845 1 9 . 1 1 53 53 HIS N N 53 113.633 113.633 120.869 -7.236 18049
3846 1 9 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.585 0.005 18049
3847 1 9 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.983 -2.533 18049
3848 1 9 . 1 1 53 53 HIS CB C 53 28.040 28.040 28.463 -0.423 18049
3849 1 9 . 1 1 53 53 HIS H H 53 6.855 6.855 7.780 -0.925 18049
3850 1 9 . 1 1 54 54 TYR N N 54 115.154 115.154 125.623 -10.469 18049
3851 1 9 . 1 1 54 54 TYR HA H 54 4.170 4.170 3.994 0.176 18049
3852 1 9 . 1 1 54 54 TYR CA C 54 53.800 53.800 58.828 -5.028 18049
3853 1 9 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.364 -1.736 18049
3854 1 9 . 1 1 54 54 TYR H H 54 8.054 8.054 8.235 -0.181 18049
3855 1 9 . 1 1 55 55 ARG N N 55 126.509 126.509 120.010 6.499 18049
3856 1 9 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.388 0.211 18049
3857 1 9 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.892 -1.069 18049
3858 1 9 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.493 -2.272 18049
3859 1 9 . 1 1 55 55 ARG H H 55 8.490 8.490 7.856 0.634 18049
3860 1 9 . 1 1 56 56 SER N N 56 116.450 116.450 109.442 7.008 18049
3861 1 9 . 1 1 56 56 SER CA C 56 56.523 56.523 59.653 -3.130 18049
3862 1 9 . 1 1 56 56 SER CB C 56 62.261 62.261 61.492 0.769 18049
3863 1 9 . 1 1 56 56 SER H H 56 8.247 8.247 8.411 -0.164 18049
3864 1 9 . 1 1 57 57 GLN N N 57 124.678 124.678 115.868 8.810 18049
3865 1 9 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.426 -0.252 18049
3866 1 9 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.428 -1.818 18049
3867 1 9 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.030 -3.970 18049
3868 1 9 . 1 1 57 57 GLN H H 57 8.702 8.702 7.772 0.930 18049
3869 1 9 . 1 1 58 58 CYS N N 58 126.577 126.577 121.242 5.335 18049
3870 1 9 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.189 0.227 18049
3871 1 9 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.253 -3.252 18049
3872 1 9 . 1 1 58 58 CYS CB C 58 31.080 31.080 25.910 5.170 18049
3873 1 9 . 1 1 58 58 CYS H H 58 7.694 7.694 7.951 -0.257 18049
3874 1 9 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.660 2.131 18049
3875 1 9 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.231 -1.820 18049
3876 1 9 . 1 1 63 63 LYS N N 63 121.641 121.641 120.253 1.388 18049
3877 1 9 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.791 -4.419 18049
3878 1 9 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.459 -4.667 18049
3879 1 9 . 1 1 63 63 LYS H H 63 8.033 8.033 7.479 0.554 18049
3880 1 9 . 1 1 64 64 LYS N N 64 111.775 111.775 121.434 -9.659 18049
3881 1 9 . 1 1 64 64 LYS CA C 64 53.743 53.743 58.017 -4.274 18049
3882 1 9 . 1 1 64 64 LYS H H 64 8.104 8.104 8.530 -0.426 18049
3883 1 9 . 1 1 65 65 VAL N N 65 122.037 122.037 117.187 4.850 18049
3884 1 9 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.930 0.110 18049
3885 1 9 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.750 -3.460 18049
3886 1 9 . 1 1 65 65 VAL CB C 65 29.411 29.411 31.917 -2.506 18049
3887 1 9 . 1 1 65 65 VAL H H 65 8.306 8.306 7.679 0.627 18049
3888 1 9 . 1 1 66 66 GLN N N 66 121.994 121.994 122.625 -0.631 18049
3889 1 9 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.287 -3.684 18049
3890 1 9 . 1 1 66 66 GLN CB C 66 30.300 30.300 29.116 1.184 18049
3891 1 9 . 1 1 66 66 GLN H H 66 8.360 8.360 8.498 -0.138 18049
3892 1 9 . 1 1 67 67 CYS N N 67 121.582 121.582 117.894 3.688 18049
3893 1 9 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.619 -0.580 18049
3894 1 9 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.675 0.540 18049
3895 1 9 . 1 1 67 67 CYS CB C 67 30.532 30.532 29.478 1.054 18049
3896 1 9 . 1 1 67 67 CYS H H 67 8.032 8.032 7.968 0.064 18049
3897 1 9 . 1 1 68 68 THR HA H 68 4.046 4.046 4.330 -0.284 18049
3898 1 9 . 1 1 68 68 THR CA C 68 61.228 61.228 64.182 -2.954 18049
3899 1 9 . 1 1 68 68 THR CB C 68 65.371 65.371 69.241 -3.870 18049
3900 1 9 . 1 1 69 69 LEU N N 69 124.335 124.335 115.825 8.510 18049
3901 1 9 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.849 -0.467 18049
3902 1 9 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.531 -1.101 18049
3903 1 9 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.659 -1.869 18049
3904 1 9 . 1 1 69 69 LEU H H 69 9.024 9.024 7.546 1.478 18049
3905 1 9 . 1 1 70 70 CYS N N 70 118.876 118.876 119.350 -0.474 18049
3906 1 9 . 1 1 70 70 CYS HA H 70 4.336 4.336 3.428 0.908 18049
3907 1 9 . 1 1 70 70 CYS CA C 70 53.145 53.145 59.126 -5.981 18049
3908 1 9 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.514 1.349 18049
3909 1 9 . 1 1 70 70 CYS H H 70 8.716 8.716 7.768 0.948 18049
3910 1 9 . 1 1 71 71 LYS N N 71 122.961 122.961 121.667 1.294 18049
3911 1 9 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.305 -0.138 18049
3912 1 9 . 1 1 71 71 LYS CA C 71 53.835 53.835 57.071 -3.236 18049
3913 1 9 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.057 0.463 18049
3914 1 9 . 1 1 71 71 LYS H H 71 8.505 8.505 7.831 0.674 18049
3915 1 9 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.046 -0.808 18049
3916 1 9 . 1 1 74 74 LYS CB C 74 31.243 31.243 30.667 0.576 18049
3917 1 9 . 1 1 75 75 HIS N N 75 111.915 111.915 115.450 -3.535 18049
3918 1 9 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.763 -0.303 18049
3919 1 9 . 1 1 75 75 HIS CA C 75 52.255 52.255 54.677 -2.422 18049
3920 1 9 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.359 -1.659 18049
3921 1 9 . 1 1 75 75 HIS H H 75 6.732 6.732 7.768 -1.036 18049
3922 1 9 . 1 1 78 78 GLU N N 78 118.980 118.980 117.489 1.491 18049
3923 1 9 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.916 0.094 18049
3924 1 9 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.525 -1.045 18049
3925 1 9 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.639 5.711 18049
3926 1 9 . 1 1 78 78 GLU H H 78 8.831 8.831 8.953 -0.122 18049
3927 1 9 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.426 -0.146 18049
3928 1 9 . 1 1 81 81 PRO CA C 81 61.512 61.512 63.539 -2.027 18049
3929 1 9 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.245 -2.731 18049
3930 1 9 . 1 1 82 82 SER N N 82 116.172 116.172 113.975 2.197 18049
3931 1 9 . 1 1 82 82 SER HA H 82 4.105 4.105 4.119 -0.014 18049
3932 1 9 . 1 1 82 82 SER CA C 82 58.317 58.317 60.031 -1.714 18049
3933 1 9 . 1 1 82 82 SER CB C 82 60.104 60.104 61.976 -1.872 18049
3934 1 9 . 1 1 82 82 SER H H 82 8.684 8.684 8.821 -0.137 18049
3935 1 9 . 1 1 83 83 ILE N N 83 118.847 118.847 115.263 3.584 18049
3936 1 9 . 1 1 83 83 ILE CA C 83 59.168 59.168 62.368 -3.200 18049
3937 1 9 . 1 1 83 83 ILE CB C 83 38.482 38.482 35.225 3.256 18049
3938 1 9 . 1 1 83 83 ILE H H 83 7.424 7.424 7.968 -0.544 18049
3939 1 9 . 1 1 84 84 TRP N N 84 115.140 115.140 117.664 -2.524 18049
3940 1 9 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.658 -4.065 18049
3941 1 9 . 1 1 84 84 TRP CB C 84 25.868 25.868 28.150 -2.282 18049
3942 1 9 . 1 1 84 84 TRP H H 84 8.131 8.131 8.041 0.090 18049
3943 1 9 . 1 1 85 85 ARG N N 85 118.936 118.936 119.951 -1.015 18049
3944 1 9 . 1 1 85 85 ARG CA C 85 51.218 51.218 58.423 -7.205 18049
3945 1 9 . 1 1 85 85 ARG CB C 85 29.330 29.330 29.954 -0.624 18049
3946 1 9 . 1 1 85 85 ARG H H 85 7.884 7.884 7.938 -0.054 18049
3947 1 9 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.157 -0.187 18049
3948 1 9 . 1 1 86 86 ALA CA C 86 50.020 50.020 52.539 -2.519 18049
3949 1 9 . 1 1 86 86 ALA CB C 86 16.400 16.400 18.744 -2.345 18049
3950 1 9 . 1 1 87 87 TYR N N 87 117.965 117.965 118.611 -0.646 18049
3951 1 9 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.351 0.105 18049
3952 1 9 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.684 -2.756 18049
3953 1 9 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.724 0.288 18049
3954 1 9 . 1 1 87 87 TYR H H 87 7.733 7.733 7.270 0.463 18049
3955 1 9 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.921 0.720 18049
3956 1 9 . 1 1 89 89 LEU CB C 89 36.799 36.799 43.998 -7.199 18049
3957 1 9 . 1 1 90 90 VAL N N 90 118.969 118.969 122.538 -3.569 18049
3958 1 9 . 1 1 90 90 VAL CA C 90 59.110 59.110 63.351 -4.241 18049
3959 1 9 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.071 -1.944 18049
3960 1 9 . 1 1 90 90 VAL H H 90 8.944 8.944 8.467 0.477 18049
3961 1 9 . 1 1 91 91 ASP N N 91 127.947 127.947 117.288 10.659 18049
3962 1 9 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.895 -4.927 18049
3963 1 9 . 1 1 91 91 ASP CB C 91 38.862 38.862 40.697 -1.835 18049
3964 1 9 . 1 1 91 91 ASP H H 91 8.320 8.320 8.267 0.053 18049
3965 1 9 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.291 -2.272 18049
3966 1 9 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.209 -2.761 18049
3967 1 9 . 1 1 93 93 ASN N N 93 118.727 118.727 119.026 -0.299 18049
3968 1 9 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.215 -2.062 18049
3969 1 9 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.098 -1.727 18049
3970 1 9 . 1 1 93 93 ASN H H 93 8.396 8.396 8.216 0.180 18049
3971 1 9 . 1 1 94 94 GLU N N 94 120.824 120.824 122.771 -1.947 18049
3972 1 9 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.083 -2.694 18049
3973 1 9 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.122 -2.853 18049
3974 1 9 . 1 1 94 94 GLU H H 94 8.266 8.266 8.663 -0.397 18049
3975 1 9 . 1 1 95 95 LYS N N 95 121.079 121.079 120.690 0.389 18049
3976 1 9 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.463 -0.307 18049
3977 1 9 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.776 -1.935 18049
3978 1 9 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.439 -3.266 18049
3979 1 9 . 1 1 95 95 LYS H H 95 8.055 8.055 7.753 0.302 18049
3980 1 9 . 1 1 96 96 ALA N N 96 124.103 124.103 126.578 -2.475 18049
3981 1 9 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.615 -0.413 18049
3982 1 9 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.887 -2.160 18049
3983 1 9 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.046 -3.294 18049
3984 1 9 . 1 1 96 96 ALA H H 96 8.053 8.053 8.495 -0.442 18049
3985 1 9 . 1 1 97 97 LYS N N 97 121.893 121.893 120.085 1.808 18049
3986 1 9 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.907 -0.022 18049
3987 1 9 . 1 1 97 97 LYS CA C 97 51.459 51.459 53.280 -1.821 18049
3988 1 9 . 1 1 97 97 LYS H H 97 8.091 8.091 7.741 0.350 18049
3989 1 9 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.544 -0.108 18049
3990 1 9 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.457 -2.432 18049
3991 1 9 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.324 -2.782 18049
3992 1 9 . 1 1 99 99 LYS N N 99 121.497 121.497 119.137 2.360 18049
3993 1 9 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.681 -0.316 18049
3994 1 9 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.492 -2.833 18049
3995 1 9 . 1 1 99 99 LYS CB C 99 31.973 31.973 34.543 -2.570 18049
3996 1 9 . 1 1 99 99 LYS H H 99 8.241 8.241 8.267 -0.026 18049
3997 1 9 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.693 -0.426 18049
3998 1 9 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.372 -0.969 18049
3999 1 9 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.675 -3.218 18049
4000 1 9 . 1 1 103 103 PHE N N 103 118.755 118.755 120.105 -1.350 18049
4001 1 9 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.796 -1.737 18049
4002 1 9 . 1 1 103 103 PHE H H 103 8.675 8.675 8.167 0.508 18049
4003 1 9 . 1 1 105 105 THR HA H 105 4.630 4.630 4.194 0.436 18049
4004 1 9 . 1 1 105 105 THR CA C 105 59.356 59.356 61.308 -1.952 18049
4005 1 9 . 1 1 105 105 THR CB C 105 67.299 67.299 67.468 -0.169 18049
4006 1 9 . 1 1 106 106 ILE N N 106 124.035 124.035 117.456 6.579 18049
4007 1 9 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.129 0.502 18049
4008 1 9 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.417 -2.687 18049
4009 1 9 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.466 -1.559 18049
4010 1 9 . 1 1 106 106 ILE H H 106 7.833 7.833 7.437 0.396 18049
4011 1 9 . 1 1 107 107 TYR N N 107 118.339 118.339 121.174 -2.835 18049
4012 1 9 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.917 -0.377 18049
4013 1 9 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.729 -0.901 18049
4014 1 9 . 1 1 107 107 TYR CB C 107 37.240 37.240 41.290 -4.050 18049
4015 1 9 . 1 1 107 107 TYR H H 107 8.925 8.925 8.103 0.822 18049
4016 1 9 . 1 1 108 108 CYS N N 108 130.380 130.380 119.568 10.812 18049
4017 1 9 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.292 -0.172 18049
4018 1 9 . 1 1 108 108 CYS CA C 108 55.950 55.950 59.319 -3.369 18049
4019 1 9 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.324 -0.424 18049
4020 1 9 . 1 1 108 108 CYS H H 108 8.335 8.335 8.742 -0.407 18049
4021 1 9 . 1 1 109 109 TYR N N 109 126.618 126.618 120.672 5.946 18049
4022 1 9 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.278 0.122 18049
4023 1 9 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.358 -4.088 18049
4024 1 9 . 1 1 109 109 TYR CB C 109 34.500 34.500 39.156 -4.656 18049
4025 1 9 . 1 1 109 109 TYR H H 109 8.011 8.011 8.653 -0.642 18049
4026 1 9 . 1 1 110 110 ASN N N 110 125.398 125.398 118.749 6.649 18049
4027 1 9 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.450 0.352 18049
4028 1 9 . 1 1 110 110 ASN CA C 110 53.569 53.569 55.461 -1.892 18049
4029 1 9 . 1 1 110 110 ASN CB C 110 37.922 37.922 37.548 0.374 18049
4030 1 9 . 1 1 110 110 ASN H H 110 9.284 9.284 8.886 0.398 18049
4031 1 9 . 1 1 111 111 CYS N N 111 118.921 118.921 120.708 -1.787 18049
4032 1 9 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.637 0.273 18049
4033 1 9 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.892 -3.906 18049
4034 1 9 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.172 1.000 18049
4035 1 9 . 1 1 111 111 CYS H H 111 9.171 9.171 8.363 0.808 18049
4036 1 9 . 1 1 112 112 GLY N N 112 114.064 114.064 110.428 3.636 18049
4037 1 9 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.894 -1.613 18049
4038 1 9 . 1 1 112 112 GLY H H 112 7.840 7.840 8.290 -0.450 18049
4039 1 9 . 1 1 113 113 GLY N N 113 112.541 112.541 108.666 3.875 18049
4040 1 9 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.639 -3.446 18049
4041 1 9 . 1 1 113 113 GLY H H 113 9.023 9.023 7.640 1.383 18049
4042 1 9 . 1 1 114 114 LYS N N 114 119.130 119.130 118.837 0.293 18049
4043 1 9 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.504 -0.244 18049
4044 1 9 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.363 -2.613 18049
4045 1 9 . 1 1 114 114 LYS CB C 114 31.680 31.680 34.515 -2.835 18049
4046 1 9 . 1 1 114 114 LYS H H 114 8.200 8.200 8.166 0.034 18049
4047 1 9 . 1 1 115 115 GLY N N 115 108.864 108.864 114.841 -5.977 18049
4048 1 9 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.375 -2.302 18049
4049 1 9 . 1 1 115 115 GLY H H 115 8.501 8.501 8.944 -0.443 18049
4050 1 9 . 1 1 116 116 HIS N N 116 113.173 113.173 116.827 -3.654 18049
4051 1 9 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.633 -0.202 18049
4052 1 9 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.398 -1.998 18049
4053 1 9 . 1 1 116 116 HIS CB C 116 27.530 27.530 31.382 -3.852 18049
4054 1 9 . 1 1 116 116 HIS H H 116 6.665 6.665 7.376 -0.711 18049
4055 1 9 . 1 1 117 117 PHE N N 117 116.353 116.353 119.701 -3.348 18049
4056 1 9 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.099 0.581 18049
4057 1 9 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.146 -4.062 18049
4058 1 9 . 1 1 117 117 PHE CB C 117 38.264 38.264 37.832 0.432 18049
4059 1 9 . 1 1 117 117 PHE H H 117 8.529 8.529 8.562 -0.033 18049
4060 1 9 . 1 1 118 118 GLY N N 118 108.977 108.977 106.870 2.107 18049
4061 1 9 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.938 -1.577 18049
4062 1 9 . 1 1 118 118 GLY H H 118 8.870 8.870 8.573 0.297 18049
4063 1 9 . 1 1 119 119 ASP N N 119 117.997 117.997 119.781 -1.784 18049
4064 1 9 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.454 -0.110 18049
4065 1 9 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.087 -2.583 18049
4066 1 9 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.870 -3.059 18049
4067 1 9 . 1 1 119 119 ASP H H 119 7.892 7.892 8.151 -0.259 18049
4068 1 9 . 1 1 120 120 ASP N N 120 116.782 116.782 116.256 0.526 18049
4069 1 9 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.746 0.109 18049
4070 1 9 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.630 -3.945 18049
4071 1 9 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.185 -1.986 18049
4072 1 9 . 1 1 120 120 ASP H H 120 7.730 7.730 8.142 -0.412 18049
4073 1 9 . 1 1 121 121 CYS N N 121 125.836 125.836 118.952 6.884 18049
4074 1 9 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.374 0.406 18049
4075 1 9 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.479 -3.412 18049
4076 1 9 . 1 1 121 121 CYS CB C 121 28.200 28.200 28.063 0.137 18049
4077 1 9 . 1 1 121 121 CYS H H 121 7.667 7.667 8.188 -0.521 18049
4078 1 10 . 1 1 3 3 ALA N N 3 125.353 125.353 121.400 3.953 18049
4079 1 10 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.703 -0.508 18049
4080 1 10 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.352 -1.774 18049
4081 1 10 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.278 -3.467 18049
4082 1 10 . 1 1 3 3 ALA H H 3 8.182 8.182 7.726 0.456 18049
4083 1 10 . 1 1 4 4 ALA N N 4 124.707 124.707 127.127 -2.420 18049
4084 1 10 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.452 0.008 18049
4085 1 10 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.619 -5.859 18049
4086 1 10 . 1 1 4 4 ALA CB C 4 15.798 15.798 16.989 -1.191 18049
4087 1 10 . 1 1 4 4 ALA H H 4 8.151 8.151 8.598 -0.447 18049
4088 1 10 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.329 0.141 18049
4089 1 10 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.550 -4.230 18049
4090 1 10 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.754 -1.954 18049
4091 1 10 . 1 1 6 6 LYS N N 6 121.400 121.400 117.231 4.169 18049
4092 1 10 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.958 0.305 18049
4093 1 10 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.493 -5.863 18049
4094 1 10 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.537 0.463 18049
4095 1 10 . 1 1 6 6 LYS H H 6 8.230 8.230 8.665 -0.435 18049
4096 1 10 . 1 1 7 7 CYS N N 7 128.995 128.995 115.062 13.933 18049
4097 1 10 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.957 -0.843 18049
4098 1 10 . 1 1 7 7 CYS CA C 7 57.020 57.020 56.712 0.308 18049
4099 1 10 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.989 -3.269 18049
4100 1 10 . 1 1 7 7 CYS H H 7 8.354 8.354 8.163 0.191 18049
4101 1 10 . 1 1 8 8 ASN N N 8 127.325 127.325 122.343 4.982 18049
4102 1 10 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.492 0.213 18049
4103 1 10 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.335 -3.425 18049
4104 1 10 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.681 -2.751 18049
4105 1 10 . 1 1 8 8 ASN H H 8 8.659 8.659 8.807 -0.148 18049
4106 1 10 . 1 1 9 9 ASN N N 9 122.394 122.394 115.634 6.760 18049
4107 1 10 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.729 0.071 18049
4108 1 10 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.666 -0.354 18049
4109 1 10 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.603 -1.728 18049
4110 1 10 . 1 1 9 9 ASN H H 9 9.861 9.861 7.888 1.973 18049
4111 1 10 . 1 1 10 10 CYS N N 10 117.508 117.508 120.107 -2.599 18049
4112 1 10 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.320 0.385 18049
4113 1 10 . 1 1 10 10 CYS CA C 10 56.350 56.350 60.777 -4.427 18049
4114 1 10 . 1 1 10 10 CYS CB C 10 29.540 29.540 27.596 1.944 18049
4115 1 10 . 1 1 10 10 CYS H H 10 8.814 8.814 7.951 0.863 18049
4116 1 10 . 1 1 11 11 SER N N 11 115.934 115.934 110.673 5.261 18049
4117 1 10 . 1 1 11 11 SER HA H 11 4.150 4.150 4.183 -0.033 18049
4118 1 10 . 1 1 11 11 SER CA C 11 58.769 58.769 59.611 -0.842 18049
4119 1 10 . 1 1 11 11 SER CB C 11 59.635 59.635 62.347 -2.712 18049
4120 1 10 . 1 1 11 11 SER H H 11 7.821 7.821 8.679 -0.858 18049
4121 1 10 . 1 1 12 12 GLN N N 12 120.325 120.325 116.858 3.467 18049
4122 1 10 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.333 0.028 18049
4123 1 10 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.946 -3.076 18049
4124 1 10 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.459 -2.546 18049
4125 1 10 . 1 1 12 12 GLN H H 12 8.311 8.311 8.404 -0.093 18049
4126 1 10 . 1 1 13 13 ARG N N 13 118.657 118.657 119.055 -0.398 18049
4127 1 10 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.572 -0.204 18049
4128 1 10 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.295 -2.265 18049
4129 1 10 . 1 1 13 13 ARG CB C 13 32.300 32.300 32.047 0.253 18049
4130 1 10 . 1 1 13 13 ARG H H 13 8.430 8.430 7.869 0.561 18049
4131 1 10 . 1 1 14 14 GLY N N 14 107.015 107.015 107.607 -0.592 18049
4132 1 10 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.307 -2.577 18049
4133 1 10 . 1 1 14 14 GLY H H 14 8.706 8.706 8.556 0.150 18049
4134 1 10 . 1 1 15 15 HIS N N 15 113.397 113.397 118.845 -5.448 18049
4135 1 10 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.601 -0.001 18049
4136 1 10 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.064 -0.628 18049
4137 1 10 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.141 -0.254 18049
4138 1 10 . 1 1 15 15 HIS H H 15 6.998 6.998 7.580 -0.582 18049
4139 1 10 . 1 1 16 16 LEU N N 16 117.239 117.239 122.741 -5.502 18049
4140 1 10 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.403 0.182 18049
4141 1 10 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.743 -4.214 18049
4142 1 10 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.703 -0.507 18049
4143 1 10 . 1 1 16 16 LEU H H 16 8.614 8.614 7.944 0.670 18049
4144 1 10 . 1 1 17 17 LYS N N 17 122.561 122.561 121.494 1.067 18049
4145 1 10 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.967 0.813 18049
4146 1 10 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.757 -1.993 18049
4147 1 10 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.600 -1.799 18049
4148 1 10 . 1 1 17 17 LYS H H 17 8.681 8.681 8.656 0.025 18049
4149 1 10 . 1 1 18 18 LYS N N 18 117.626 117.626 112.708 4.918 18049
4150 1 10 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.163 -0.059 18049
4151 1 10 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.262 -2.443 18049
4152 1 10 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.056 -3.301 18049
4153 1 10 . 1 1 18 18 LYS H H 18 8.320 8.320 8.055 0.265 18049
4154 1 10 . 1 1 19 19 ASP N N 19 118.071 118.071 119.058 -0.987 18049
4155 1 10 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.731 0.119 18049
4156 1 10 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.796 -4.964 18049
4157 1 10 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.506 -1.606 18049
4158 1 10 . 1 1 19 19 ASP H H 19 7.770 7.770 7.685 0.085 18049
4159 1 10 . 1 1 20 20 CYS N N 20 123.265 123.265 119.405 3.860 18049
4160 1 10 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.418 -0.716 18049
4161 1 10 . 1 1 20 20 CYS CA C 20 59.556 59.556 56.880 2.675 18049
4162 1 10 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.113 1.383 18049
4163 1 10 . 1 1 20 20 CYS H H 20 7.275 7.275 7.976 -0.701 18049
4164 1 10 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.267 -4.367 18049
4165 1 10 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.495 -1.775 18049
4166 1 10 . 1 1 22 22 HIS N N 22 121.576 121.576 119.632 1.944 18049
4167 1 10 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.803 -3.319 18049
4168 1 10 . 1 1 22 22 HIS CB C 22 27.833 27.833 32.863 -5.030 18049
4169 1 10 . 1 1 22 22 HIS H H 22 7.882 7.882 8.049 -0.167 18049
4170 1 10 . 1 1 23 23 ILE N N 23 117.100 117.100 119.118 -2.018 18049
4171 1 10 . 1 1 23 23 ILE HA H 23 4.170 4.170 3.546 0.624 18049
4172 1 10 . 1 1 23 23 ILE CA C 23 57.420 57.420 61.715 -4.295 18049
4173 1 10 . 1 1 23 23 ILE CB C 23 36.980 36.980 35.373 1.607 18049
4174 1 10 . 1 1 23 23 ILE H H 23 8.660 8.660 7.607 1.053 18049
4175 1 10 . 1 1 24 24 ILE N N 24 126.524 126.524 120.667 5.857 18049
4176 1 10 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.193 -0.243 18049
4177 1 10 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.725 -3.035 18049
4178 1 10 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.570 -0.394 18049
4179 1 10 . 1 1 24 24 ILE H H 24 8.486 8.486 7.546 0.940 18049
4180 1 10 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.107 -3.093 18049
4181 1 10 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.357 -1.084 18049
4182 1 10 . 1 1 26 26 SER N N 26 127.811 127.811 121.874 5.937 18049
4183 1 10 . 1 1 26 26 SER HA H 26 4.050 4.050 3.990 0.060 18049
4184 1 10 . 1 1 26 26 SER CA C 26 58.170 58.170 59.342 -1.172 18049
4185 1 10 . 1 1 26 26 SER CB C 26 60.523 60.523 61.788 -1.265 18049
4186 1 10 . 1 1 26 26 SER H H 26 9.491 9.491 8.993 0.498 18049
4187 1 10 . 1 1 27 27 TYR N N 27 124.378 124.378 116.312 8.066 18049
4188 1 10 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.029 0.496 18049
4189 1 10 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.623 -1.733 18049
4190 1 10 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.494 -0.401 18049
4191 1 10 . 1 1 27 27 TYR H H 27 9.389 9.389 7.737 1.652 18049
4192 1 10 . 1 1 28 28 CYS N N 28 126.900 126.900 120.010 6.890 18049
4193 1 10 . 1 1 28 28 CYS CA C 28 55.921 55.921 60.599 -4.678 18049
4194 1 10 . 1 1 28 28 CYS CB C 28 30.198 30.198 26.481 3.717 18049
4195 1 10 . 1 1 28 28 CYS H H 28 8.490 8.490 7.773 0.717 18049
4196 1 10 . 1 1 29 29 GLY N N 29 113.271 113.271 112.719 0.552 18049
4197 1 10 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.847 -1.499 18049
4198 1 10 . 1 1 29 29 GLY H H 29 7.792 7.792 7.935 -0.143 18049
4199 1 10 . 1 1 30 30 ALA N N 30 124.805 124.805 123.226 1.579 18049
4200 1 10 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.639 -0.520 18049
4201 1 10 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.282 0.858 18049
4202 1 10 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.692 -2.972 18049
4203 1 10 . 1 1 30 30 ALA H H 30 8.541 8.541 8.150 0.391 18049
4204 1 10 . 1 1 31 31 THR N N 31 118.352 118.352 117.701 0.651 18049
4205 1 10 . 1 1 31 31 THR CA C 31 58.082 58.082 65.565 -7.483 18049
4206 1 10 . 1 1 31 31 THR CB C 31 67.072 67.072 68.594 -1.522 18049
4207 1 10 . 1 1 31 31 THR H H 31 8.544 8.544 8.715 -0.171 18049
4208 1 10 . 1 1 32 32 ASP N N 32 123.222 123.222 119.347 3.875 18049
4209 1 10 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.579 -0.536 18049
4210 1 10 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.878 -2.729 18049
4211 1 10 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.089 -4.641 18049
4212 1 10 . 1 1 32 32 ASP H H 32 9.768 9.768 8.389 1.379 18049
4213 1 10 . 1 1 33 33 ASP N N 33 116.889 116.889 118.526 -1.637 18049
4214 1 10 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.155 -0.835 18049
4215 1 10 . 1 1 33 33 ASP CB C 33 43.190 43.190 40.925 2.265 18049
4216 1 10 . 1 1 33 33 ASP H H 33 8.111 8.111 7.810 0.301 18049
4217 1 10 . 1 1 34 34 HIS N N 34 110.849 110.849 120.849 -10.000 18049
4218 1 10 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.647 -4.457 18049
4219 1 10 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.001 7.769 18049
4220 1 10 . 1 1 34 34 HIS H H 34 6.959 6.959 7.977 -1.018 18049
4221 1 10 . 1 1 35 35 TYR N N 35 117.529 117.529 126.081 -8.552 18049
4222 1 10 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.711 -2.574 18049
4223 1 10 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.863 -4.296 18049
4224 1 10 . 1 1 35 35 TYR H H 35 8.813 8.813 7.978 0.835 18049
4225 1 10 . 1 1 36 36 SER N N 36 121.984 121.984 120.280 1.704 18049
4226 1 10 . 1 1 36 36 SER CA C 36 57.520 57.520 59.999 -2.479 18049
4227 1 10 . 1 1 36 36 SER CB C 36 59.800 59.800 63.078 -3.278 18049
4228 1 10 . 1 1 36 36 SER H H 36 8.518 8.518 7.898 0.620 18049
4229 1 10 . 1 1 37 37 ARG N N 37 119.707 119.707 118.672 1.035 18049
4230 1 10 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.207 -5.536 18049
4231 1 10 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.886 -2.793 18049
4232 1 10 . 1 1 37 37 ARG H H 37 7.963 7.963 7.873 0.090 18049
4233 1 10 . 1 1 38 38 HIS N N 38 125.394 125.394 116.630 8.764 18049
4234 1 10 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.948 0.328 18049
4235 1 10 . 1 1 38 38 HIS H H 38 7.443 7.443 7.670 -0.227 18049
4236 1 10 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.110 0.340 18049
4237 1 10 . 1 1 39 39 CYS CA C 39 51.680 51.680 62.613 -10.933 18049
4238 1 10 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.604 1.636 18049
4239 1 10 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.465 -0.155 18049
4240 1 10 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.348 -3.908 18049
4241 1 10 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.803 -1.503 18049
4242 1 10 . 1 1 41 41 LYS N N 41 121.400 121.400 120.543 0.857 18049
4243 1 10 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.385 -0.306 18049
4244 1 10 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.636 -1.956 18049
4245 1 10 . 1 1 41 41 LYS CB C 41 29.641 29.641 29.961 -0.320 18049
4246 1 10 . 1 1 41 41 LYS H H 41 8.650 8.650 7.576 1.074 18049
4247 1 10 . 1 1 42 42 ALA N N 42 122.096 122.096 121.527 0.569 18049
4248 1 10 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.473 -0.954 18049
4249 1 10 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.810 -3.219 18049
4250 1 10 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.909 -4.453 18049
4251 1 10 . 1 1 42 42 ALA H H 42 7.201 7.201 8.437 -1.236 18049
4252 1 10 . 1 1 43 43 ILE N N 43 119.646 119.646 119.532 0.114 18049
4253 1 10 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.352 -0.621 18049
4254 1 10 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.681 -2.715 18049
4255 1 10 . 1 1 43 43 ILE CB C 43 35.977 35.977 38.771 -2.794 18049
4256 1 10 . 1 1 43 43 ILE H H 43 7.086 7.086 7.660 -0.574 18049
4257 1 10 . 1 1 44 44 GLN N N 44 125.541 125.541 116.815 8.726 18049
4258 1 10 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.686 -0.254 18049
4259 1 10 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.645 -1.909 18049
4260 1 10 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.991 -3.907 18049
4261 1 10 . 1 1 44 44 GLN H H 44 7.980 7.980 7.556 0.424 18049
4262 1 10 . 1 1 45 45 CYS N N 45 130.678 130.678 120.204 10.474 18049
4263 1 10 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.494 -0.374 18049
4264 1 10 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.533 -2.203 18049
4265 1 10 . 1 1 45 45 CYS CB C 45 28.000 28.000 28.314 -0.313 18049
4266 1 10 . 1 1 45 45 CYS H H 45 8.353 8.353 8.255 0.098 18049
4267 1 10 . 1 1 46 46 SER N N 46 124.273 124.273 116.738 7.535 18049
4268 1 10 . 1 1 46 46 SER HA H 46 4.334 4.334 4.278 0.056 18049
4269 1 10 . 1 1 46 46 SER CA C 46 56.923 56.923 60.881 -3.958 18049
4270 1 10 . 1 1 46 46 SER CB C 46 60.400 60.400 63.339 -2.939 18049
4271 1 10 . 1 1 46 46 SER H H 46 8.466 8.466 8.762 -0.296 18049
4272 1 10 . 1 1 47 47 LYS N N 47 127.929 127.929 117.601 10.328 18049
4273 1 10 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.584 -0.224 18049
4274 1 10 . 1 1 47 47 LYS CA C 47 56.320 56.320 55.761 0.559 18049
4275 1 10 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.759 -1.459 18049
4276 1 10 . 1 1 47 47 LYS H H 47 9.720 9.720 8.248 1.472 18049
4277 1 10 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.561 0.029 18049
4278 1 10 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.203 -5.703 18049
4279 1 10 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.406 -2.306 18049
4280 1 10 . 1 1 48 48 CYS H H 48 8.600 8.600 7.583 1.017 18049
4281 1 10 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.517 0.193 18049
4282 1 10 . 1 1 49 49 ASP CA C 49 54.300 54.300 53.934 0.366 18049
4283 1 10 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.220 -0.020 18049
4284 1 10 . 1 1 49 49 ASP H H 49 8.830 8.830 8.311 0.519 18049
4285 1 10 . 1 1 50 50 GLU N N 50 118.700 118.700 117.565 1.135 18049
4286 1 10 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.237 0.058 18049
4287 1 10 . 1 1 50 50 GLU CA C 50 54.340 54.340 58.046 -3.706 18049
4288 1 10 . 1 1 50 50 GLU CB C 50 28.500 28.500 29.063 -0.563 18049
4289 1 10 . 1 1 50 50 GLU H H 50 8.226 8.226 8.639 -0.413 18049
4290 1 10 . 1 1 51 51 VAL N N 51 118.593 118.593 121.941 -3.348 18049
4291 1 10 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.054 0.219 18049
4292 1 10 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.710 -4.330 18049
4293 1 10 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.208 -0.958 18049
4294 1 10 . 1 1 51 51 VAL H H 51 8.216 8.216 8.143 0.073 18049
4295 1 10 . 1 1 52 52 GLY N N 52 110.908 110.908 107.379 3.529 18049
4296 1 10 . 1 1 52 52 GLY CA C 52 42.690 42.690 46.245 -3.555 18049
4297 1 10 . 1 1 52 52 GLY H H 52 8.630 8.630 7.983 0.647 18049
4298 1 10 . 1 1 53 53 HIS N N 53 113.633 113.633 118.742 -5.109 18049
4299 1 10 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.706 -0.116 18049
4300 1 10 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.584 -2.134 18049
4301 1 10 . 1 1 53 53 HIS CB C 53 28.040 28.040 30.587 -2.546 18049
4302 1 10 . 1 1 53 53 HIS H H 53 6.855 6.855 7.785 -0.930 18049
4303 1 10 . 1 1 54 54 TYR N N 54 115.154 115.154 119.073 -3.919 18049
4304 1 10 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.322 -0.152 18049
4305 1 10 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.225 -2.425 18049
4306 1 10 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.642 -2.013 18049
4307 1 10 . 1 1 54 54 TYR H H 54 8.054 8.054 8.656 -0.602 18049
4308 1 10 . 1 1 55 55 ARG N N 55 126.509 126.509 123.346 3.163 18049
4309 1 10 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.718 -0.119 18049
4310 1 10 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.779 -0.955 18049
4311 1 10 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.337 -3.116 18049
4312 1 10 . 1 1 55 55 ARG H H 55 8.490 8.490 8.716 -0.226 18049
4313 1 10 . 1 1 56 56 SER N N 56 116.450 116.450 114.661 1.789 18049
4314 1 10 . 1 1 56 56 SER CA C 56 56.523 56.523 59.252 -2.729 18049
4315 1 10 . 1 1 56 56 SER CB C 56 62.261 62.261 62.641 -0.380 18049
4316 1 10 . 1 1 56 56 SER H H 56 8.247 8.247 9.023 -0.776 18049
4317 1 10 . 1 1 57 57 GLN N N 57 124.678 124.678 115.750 8.928 18049
4318 1 10 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.137 0.037 18049
4319 1 10 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.496 -2.886 18049
4320 1 10 . 1 1 57 57 GLN CB C 57 27.060 27.060 26.928 0.132 18049
4321 1 10 . 1 1 57 57 GLN H H 57 8.702 8.702 8.172 0.530 18049
4322 1 10 . 1 1 58 58 CYS N N 58 126.577 126.577 117.013 9.564 18049
4323 1 10 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.028 0.388 18049
4324 1 10 . 1 1 58 58 CYS CA C 58 55.001 55.001 59.276 -4.275 18049
4325 1 10 . 1 1 58 58 CYS CB C 58 31.080 31.080 28.265 2.815 18049
4326 1 10 . 1 1 58 58 CYS H H 58 7.694 7.694 8.435 -0.741 18049
4327 1 10 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.054 2.736 18049
4328 1 10 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.742 -2.331 18049
4329 1 10 . 1 1 63 63 LYS N N 63 121.641 121.641 118.279 3.362 18049
4330 1 10 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.663 -4.291 18049
4331 1 10 . 1 1 63 63 LYS CB C 63 27.792 27.792 30.492 -2.700 18049
4332 1 10 . 1 1 63 63 LYS H H 63 8.033 8.033 8.173 -0.140 18049
4333 1 10 . 1 1 64 64 LYS N N 64 111.775 111.775 118.699 -6.924 18049
4334 1 10 . 1 1 64 64 LYS CA C 64 53.743 53.743 56.104 -2.361 18049
4335 1 10 . 1 1 64 64 LYS H H 64 8.104 8.104 7.812 0.292 18049
4336 1 10 . 1 1 65 65 VAL N N 65 122.037 122.037 123.028 -0.991 18049
4337 1 10 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.804 0.236 18049
4338 1 10 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.923 -3.633 18049
4339 1 10 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.732 -3.321 18049
4340 1 10 . 1 1 65 65 VAL H H 65 8.306 8.306 8.536 -0.230 18049
4341 1 10 . 1 1 66 66 GLN N N 66 121.994 121.994 124.887 -2.893 18049
4342 1 10 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.168 -2.565 18049
4343 1 10 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.848 1.452 18049
4344 1 10 . 1 1 66 66 GLN H H 66 8.360 8.360 8.364 -0.004 18049
4345 1 10 . 1 1 67 67 CYS N N 67 121.582 121.582 119.599 1.983 18049
4346 1 10 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.625 -0.586 18049
4347 1 10 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.950 0.265 18049
4348 1 10 . 1 1 67 67 CYS CB C 67 30.532 30.532 28.557 1.975 18049
4349 1 10 . 1 1 67 67 CYS H H 67 8.032 8.032 7.837 0.195 18049
4350 1 10 . 1 1 68 68 THR HA H 68 4.046 4.046 4.332 -0.286 18049
4351 1 10 . 1 1 68 68 THR CA C 68 61.228 61.228 64.168 -2.941 18049
4352 1 10 . 1 1 68 68 THR CB C 68 65.371 65.371 69.305 -3.934 18049
4353 1 10 . 1 1 69 69 LEU N N 69 124.335 124.335 116.849 7.486 18049
4354 1 10 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.674 -0.292 18049
4355 1 10 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.001 -0.572 18049
4356 1 10 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.757 -1.967 18049
4357 1 10 . 1 1 69 69 LEU H H 69 9.024 9.024 7.718 1.306 18049
4358 1 10 . 1 1 70 70 CYS N N 70 118.876 118.876 120.735 -1.859 18049
4359 1 10 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.680 -0.344 18049
4360 1 10 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.418 -5.273 18049
4361 1 10 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.505 1.358 18049
4362 1 10 . 1 1 70 70 CYS H H 70 8.716 8.716 7.663 1.053 18049
4363 1 10 . 1 1 71 71 LYS N N 71 122.961 122.961 123.669 -0.708 18049
4364 1 10 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.420 -0.253 18049
4365 1 10 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.425 -1.590 18049
4366 1 10 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.077 0.443 18049
4367 1 10 . 1 1 71 71 LYS H H 71 8.505 8.505 8.582 -0.077 18049
4368 1 10 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.659 -1.421 18049
4369 1 10 . 1 1 74 74 LYS CB C 74 31.243 31.243 30.644 0.599 18049
4370 1 10 . 1 1 75 75 HIS N N 75 111.915 111.915 116.910 -4.995 18049
4371 1 10 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.813 -0.353 18049
4372 1 10 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.428 -3.173 18049
4373 1 10 . 1 1 75 75 HIS CB C 75 28.700 28.700 32.935 -4.235 18049
4374 1 10 . 1 1 75 75 HIS H H 75 6.732 6.732 8.239 -1.507 18049
4375 1 10 . 1 1 78 78 GLU N N 78 118.980 118.980 117.727 1.253 18049
4376 1 10 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.044 -0.034 18049
4377 1 10 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.239 -0.759 18049
4378 1 10 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.515 5.835 18049
4379 1 10 . 1 1 78 78 GLU H H 78 8.831 8.831 8.716 0.115 18049
4380 1 10 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.259 0.021 18049
4381 1 10 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.104 -2.592 18049
4382 1 10 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.460 -2.946 18049
4383 1 10 . 1 1 82 82 SER N N 82 116.172 116.172 114.216 1.956 18049
4384 1 10 . 1 1 82 82 SER HA H 82 4.105 4.105 4.454 -0.349 18049
4385 1 10 . 1 1 82 82 SER CA C 82 58.317 58.317 56.269 2.048 18049
4386 1 10 . 1 1 82 82 SER CB C 82 60.104 60.104 65.070 -4.966 18049
4387 1 10 . 1 1 82 82 SER H H 82 8.684 8.684 7.535 1.149 18049
4388 1 10 . 1 1 83 83 ILE N N 83 118.847 118.847 125.092 -6.245 18049
4389 1 10 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.515 -2.347 18049
4390 1 10 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.408 0.074 18049
4391 1 10 . 1 1 83 83 ILE H H 83 7.424 7.424 8.545 -1.121 18049
4392 1 10 . 1 1 84 84 TRP N N 84 115.140 115.140 121.655 -6.515 18049
4393 1 10 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.986 -2.393 18049
4394 1 10 . 1 1 84 84 TRP CB C 84 25.868 25.868 28.937 -3.069 18049
4395 1 10 . 1 1 84 84 TRP H H 84 8.131 8.131 7.339 0.792 18049
4396 1 10 . 1 1 85 85 ARG N N 85 118.936 118.936 121.466 -2.530 18049
4397 1 10 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.924 -4.706 18049
4398 1 10 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.358 -1.028 18049
4399 1 10 . 1 1 85 85 ARG H H 85 7.884 7.884 8.506 -0.622 18049
4400 1 10 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.244 -0.274 18049
4401 1 10 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.602 -1.582 18049
4402 1 10 . 1 1 86 86 ALA CB C 86 16.400 16.400 18.233 -1.833 18049
4403 1 10 . 1 1 87 87 TYR N N 87 117.965 117.965 117.972 -0.007 18049
4404 1 10 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.436 0.020 18049
4405 1 10 . 1 1 87 87 TYR CA C 87 54.928 54.928 56.158 -1.230 18049
4406 1 10 . 1 1 87 87 TYR CB C 87 40.012 40.012 38.457 1.555 18049
4407 1 10 . 1 1 87 87 TYR H H 87 7.733 7.733 7.140 0.593 18049
4408 1 10 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.388 1.253 18049
4409 1 10 . 1 1 89 89 LEU CB C 89 36.799 36.799 41.328 -4.529 18049
4410 1 10 . 1 1 90 90 VAL N N 90 118.969 118.969 115.665 3.304 18049
4411 1 10 . 1 1 90 90 VAL CA C 90 59.110 59.110 60.044 -0.934 18049
4412 1 10 . 1 1 90 90 VAL CB C 90 30.127 30.127 33.113 -2.986 18049
4413 1 10 . 1 1 90 90 VAL H H 90 8.944 8.944 7.545 1.399 18049
4414 1 10 . 1 1 91 91 ASP N N 91 127.947 127.947 123.255 4.692 18049
4415 1 10 . 1 1 91 91 ASP CA C 91 49.968 49.968 55.033 -5.066 18049
4416 1 10 . 1 1 91 91 ASP CB C 91 38.862 38.862 42.151 -3.289 18049
4417 1 10 . 1 1 91 91 ASP H H 91 8.320 8.320 8.548 -0.228 18049
4418 1 10 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.897 -1.879 18049
4419 1 10 . 1 1 92 92 ASP CB C 92 38.447 38.447 40.695 -2.248 18049
4420 1 10 . 1 1 93 93 ASN N N 93 118.727 118.727 115.320 3.407 18049
4421 1 10 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.982 -2.829 18049
4422 1 10 . 1 1 93 93 ASN CB C 93 36.371 36.371 36.886 -0.515 18049
4423 1 10 . 1 1 93 93 ASN H H 93 8.396 8.396 8.325 0.071 18049
4424 1 10 . 1 1 94 94 GLU N N 94 120.824 120.824 121.283 -0.459 18049
4425 1 10 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.358 -1.969 18049
4426 1 10 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.521 -3.252 18049
4427 1 10 . 1 1 94 94 GLU H H 94 8.266 8.266 8.116 0.150 18049
4428 1 10 . 1 1 95 95 LYS N N 95 121.079 121.079 120.660 0.419 18049
4429 1 10 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.458 -0.302 18049
4430 1 10 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.471 -1.630 18049
4431 1 10 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.671 -3.498 18049
4432 1 10 . 1 1 95 95 LYS H H 95 8.055 8.055 8.338 -0.283 18049
4433 1 10 . 1 1 96 96 ALA N N 96 124.103 124.103 122.831 1.272 18049
4434 1 10 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.171 0.031 18049
4435 1 10 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.511 -2.784 18049
4436 1 10 . 1 1 96 96 ALA CB C 96 16.752 16.752 18.979 -2.227 18049
4437 1 10 . 1 1 96 96 ALA H H 96 8.053 8.053 8.438 -0.385 18049
4438 1 10 . 1 1 97 97 LYS N N 97 121.893 121.893 124.179 -2.286 18049
4439 1 10 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.629 0.256 18049
4440 1 10 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.661 -3.202 18049
4441 1 10 . 1 1 97 97 LYS H H 97 8.091 8.091 8.344 -0.253 18049
4442 1 10 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.645 -0.209 18049
4443 1 10 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.387 -3.362 18049
4444 1 10 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.097 -2.555 18049
4445 1 10 . 1 1 99 99 LYS N N 99 121.497 121.497 120.714 0.783 18049
4446 1 10 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.454 -0.089 18049
4447 1 10 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.188 -3.529 18049
4448 1 10 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.934 -1.961 18049
4449 1 10 . 1 1 99 99 LYS H H 99 8.241 8.241 7.988 0.253 18049
4450 1 10 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.332 -0.065 18049
4451 1 10 . 1 1 102 102 PRO CA C 102 61.403 61.403 61.797 -0.394 18049
4452 1 10 . 1 1 102 102 PRO CB C 102 29.457 29.457 31.706 -2.248 18049
4453 1 10 . 1 1 103 103 PHE N N 103 118.755 118.755 112.228 6.527 18049
4454 1 10 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.619 -2.560 18049
4455 1 10 . 1 1 103 103 PHE H H 103 8.675 8.675 8.137 0.538 18049
4456 1 10 . 1 1 105 105 THR HA H 105 4.630 4.630 4.444 0.186 18049
4457 1 10 . 1 1 105 105 THR CA C 105 59.356 59.356 62.566 -3.210 18049
4458 1 10 . 1 1 105 105 THR CB C 105 67.299 67.299 70.208 -2.909 18049
4459 1 10 . 1 1 106 106 ILE N N 106 124.035 124.035 118.648 5.387 18049
4460 1 10 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.227 0.404 18049
4461 1 10 . 1 1 106 106 ILE CA C 106 57.730 57.730 59.596 -1.866 18049
4462 1 10 . 1 1 106 106 ILE CB C 106 36.907 36.907 39.495 -2.588 18049
4463 1 10 . 1 1 106 106 ILE H H 106 7.833 7.833 7.284 0.549 18049
4464 1 10 . 1 1 107 107 TYR N N 107 118.339 118.339 121.809 -3.470 18049
4465 1 10 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.615 -0.075 18049
4466 1 10 . 1 1 107 107 TYR CA C 107 55.828 55.828 57.710 -1.882 18049
4467 1 10 . 1 1 107 107 TYR CB C 107 37.240 37.240 39.174 -1.934 18049
4468 1 10 . 1 1 107 107 TYR H H 107 8.925 8.925 8.282 0.643 18049
4469 1 10 . 1 1 108 108 CYS N N 108 130.380 130.380 120.332 10.048 18049
4470 1 10 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.436 -0.316 18049
4471 1 10 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.042 -2.092 18049
4472 1 10 . 1 1 108 108 CYS CB C 108 27.900 27.900 30.074 -2.174 18049
4473 1 10 . 1 1 108 108 CYS H H 108 8.335 8.335 8.212 0.123 18049
4474 1 10 . 1 1 109 109 TYR N N 109 126.618 126.618 122.426 4.192 18049
4475 1 10 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.603 -0.203 18049
4476 1 10 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.432 -3.162 18049
4477 1 10 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.974 -4.474 18049
4478 1 10 . 1 1 109 109 TYR H H 109 8.011 8.011 8.732 -0.721 18049
4479 1 10 . 1 1 110 110 ASN N N 110 125.398 125.398 118.206 7.192 18049
4480 1 10 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.767 0.035 18049
4481 1 10 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.991 -1.422 18049
4482 1 10 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.304 -1.382 18049
4483 1 10 . 1 1 110 110 ASN H H 110 9.284 9.284 8.729 0.555 18049
4484 1 10 . 1 1 111 111 CYS N N 111 118.921 118.921 116.210 2.711 18049
4485 1 10 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.736 0.174 18049
4486 1 10 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.078 -2.092 18049
4487 1 10 . 1 1 111 111 CYS CB C 111 30.172 30.172 30.820 -0.648 18049
4488 1 10 . 1 1 111 111 CYS H H 111 9.171 9.171 7.813 1.358 18049
4489 1 10 . 1 1 112 112 GLY N N 112 114.064 114.064 111.157 2.907 18049
4490 1 10 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.452 -2.171 18049
4491 1 10 . 1 1 112 112 GLY H H 112 7.840 7.840 8.764 -0.924 18049
4492 1 10 . 1 1 113 113 GLY N N 113 112.541 112.541 107.802 4.739 18049
4493 1 10 . 1 1 113 113 GLY CA C 113 41.193 41.193 45.557 -4.364 18049
4494 1 10 . 1 1 113 113 GLY H H 113 9.023 9.023 8.153 0.870 18049
4495 1 10 . 1 1 114 114 LYS N N 114 119.130 119.130 122.758 -3.628 18049
4496 1 10 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.323 -0.063 18049
4497 1 10 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.850 -3.100 18049
4498 1 10 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.778 -1.098 18049
4499 1 10 . 1 1 114 114 LYS H H 114 8.200 8.200 8.223 -0.023 18049
4500 1 10 . 1 1 115 115 GLY N N 115 108.864 108.864 109.440 -0.576 18049
4501 1 10 . 1 1 115 115 GLY CA C 115 43.073 43.073 44.563 -1.490 18049
4502 1 10 . 1 1 115 115 GLY H H 115 8.501 8.501 7.624 0.877 18049
4503 1 10 . 1 1 116 116 HIS N N 116 113.173 113.173 116.762 -3.589 18049
4504 1 10 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.145 0.286 18049
4505 1 10 . 1 1 116 116 HIS CA C 116 52.400 52.400 56.863 -4.463 18049
4506 1 10 . 1 1 116 116 HIS CB C 116 27.530 27.530 28.582 -1.052 18049
4507 1 10 . 1 1 116 116 HIS H H 116 6.665 6.665 8.209 -1.544 18049
4508 1 10 . 1 1 117 117 PHE N N 117 116.353 116.353 116.455 -0.102 18049
4509 1 10 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.491 0.189 18049
4510 1 10 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.001 -2.917 18049
4511 1 10 . 1 1 117 117 PHE CB C 117 38.264 38.264 37.388 0.876 18049
4512 1 10 . 1 1 117 117 PHE H H 117 8.529 8.529 8.593 -0.064 18049
4513 1 10 . 1 1 118 118 GLY N N 118 108.977 108.977 109.631 -0.654 18049
4514 1 10 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.347 -0.986 18049
4515 1 10 . 1 1 118 118 GLY H H 118 8.870 8.870 7.874 0.996 18049
4516 1 10 . 1 1 119 119 ASP N N 119 117.997 117.997 120.026 -2.029 18049
4517 1 10 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.425 -0.081 18049
4518 1 10 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.594 -3.090 18049
4519 1 10 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.994 -3.184 18049
4520 1 10 . 1 1 119 119 ASP H H 119 7.892 7.892 8.271 -0.379 18049
4521 1 10 . 1 1 120 120 ASP N N 120 116.782 116.782 118.255 -1.473 18049
4522 1 10 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.755 0.100 18049
4523 1 10 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.705 -4.020 18049
4524 1 10 . 1 1 120 120 ASP CB C 120 40.199 40.199 41.994 -1.795 18049
4525 1 10 . 1 1 120 120 ASP H H 120 7.730 7.730 8.012 -0.282 18049
4526 1 10 . 1 1 121 121 CYS N N 121 125.836 125.836 118.997 6.839 18049
4527 1 10 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.631 0.149 18049
4528 1 10 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.542 -2.475 18049
4529 1 10 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.303 0.897 18049
4530 1 10 . 1 1 121 121 CYS H H 121 7.667 7.667 7.637 0.030 18049
4531 1 11 . 1 1 3 3 ALA N N 3 125.353 125.353 122.375 2.978 18049
4532 1 11 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.724 -0.529 18049
4533 1 11 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.786 -2.208 18049
4534 1 11 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.918 -4.107 18049
4535 1 11 . 1 1 3 3 ALA H H 3 8.182 8.182 8.474 -0.292 18049
4536 1 11 . 1 1 4 4 ALA N N 4 124.707 124.707 126.654 -1.947 18049
4537 1 11 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.202 0.258 18049
4538 1 11 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.174 -5.414 18049
4539 1 11 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.457 -1.659 18049
4540 1 11 . 1 1 4 4 ALA H H 4 8.151 8.151 8.945 -0.794 18049
4541 1 11 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.409 0.061 18049
4542 1 11 . 1 1 5 5 PRO CA C 5 59.320 59.320 62.890 -3.570 18049
4543 1 11 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.896 -2.096 18049
4544 1 11 . 1 1 6 6 LYS N N 6 121.400 121.400 118.652 2.748 18049
4545 1 11 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.950 0.313 18049
4546 1 11 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.116 -4.486 18049
4547 1 11 . 1 1 6 6 LYS CB C 6 32.000 32.000 32.641 -0.641 18049
4548 1 11 . 1 1 6 6 LYS H H 6 8.230 8.230 7.880 0.350 18049
4549 1 11 . 1 1 7 7 CYS N N 7 128.995 128.995 116.782 12.213 18049
4550 1 11 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.206 -0.092 18049
4551 1 11 . 1 1 7 7 CYS CA C 7 57.020 57.020 61.154 -4.134 18049
4552 1 11 . 1 1 7 7 CYS CB C 7 27.720 27.720 28.083 -0.363 18049
4553 1 11 . 1 1 7 7 CYS H H 7 8.354 8.354 8.277 0.077 18049
4554 1 11 . 1 1 8 8 ASN N N 8 127.325 127.325 123.498 3.827 18049
4555 1 11 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.509 0.196 18049
4556 1 11 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.777 -3.867 18049
4557 1 11 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.047 -3.117 18049
4558 1 11 . 1 1 8 8 ASN H H 8 8.659 8.659 8.815 -0.156 18049
4559 1 11 . 1 1 9 9 ASN N N 9 122.394 122.394 117.105 5.289 18049
4560 1 11 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.750 0.050 18049
4561 1 11 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.262 0.050 18049
4562 1 11 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.467 -1.592 18049
4563 1 11 . 1 1 9 9 ASN H H 9 9.861 9.861 8.240 1.621 18049
4564 1 11 . 1 1 10 10 CYS N N 10 117.508 117.508 119.155 -1.647 18049
4565 1 11 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.876 -0.171 18049
4566 1 11 . 1 1 10 10 CYS CA C 10 56.350 56.350 57.906 -1.556 18049
4567 1 11 . 1 1 10 10 CYS CB C 10 29.540 29.540 30.347 -0.807 18049
4568 1 11 . 1 1 10 10 CYS H H 10 8.814 8.814 8.170 0.644 18049
4569 1 11 . 1 1 11 11 SER N N 11 115.934 115.934 113.504 2.430 18049
4570 1 11 . 1 1 11 11 SER HA H 11 4.150 4.150 4.684 -0.534 18049
4571 1 11 . 1 1 11 11 SER CA C 11 58.769 58.769 57.490 1.279 18049
4572 1 11 . 1 1 11 11 SER CB C 11 59.635 59.635 63.500 -3.865 18049
4573 1 11 . 1 1 11 11 SER H H 11 7.821 7.821 8.333 -0.512 18049
4574 1 11 . 1 1 12 12 GLN N N 12 120.325 120.325 121.995 -1.670 18049
4575 1 11 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.291 0.070 18049
4576 1 11 . 1 1 12 12 GLN CA C 12 52.870 52.870 56.450 -3.580 18049
4577 1 11 . 1 1 12 12 GLN CB C 12 27.913 27.913 29.747 -1.834 18049
4578 1 11 . 1 1 12 12 GLN H H 12 8.311 8.311 8.292 0.019 18049
4579 1 11 . 1 1 13 13 ARG N N 13 118.657 118.657 119.327 -0.670 18049
4580 1 11 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.641 -0.273 18049
4581 1 11 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.728 -2.698 18049
4582 1 11 . 1 1 13 13 ARG CB C 13 32.300 32.300 31.327 0.973 18049
4583 1 11 . 1 1 13 13 ARG H H 13 8.430 8.430 8.521 -0.091 18049
4584 1 11 . 1 1 14 14 GLY N N 14 107.015 107.015 112.732 -5.717 18049
4585 1 11 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.847 -2.117 18049
4586 1 11 . 1 1 14 14 GLY H H 14 8.706 8.706 8.709 -0.003 18049
4587 1 11 . 1 1 15 15 HIS N N 15 113.397 113.397 123.533 -10.136 18049
4588 1 11 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.589 0.011 18049
4589 1 11 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.807 -1.371 18049
4590 1 11 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.176 -0.289 18049
4591 1 11 . 1 1 15 15 HIS H H 15 6.998 6.998 8.417 -1.419 18049
4592 1 11 . 1 1 16 16 LEU N N 16 117.239 117.239 119.323 -2.084 18049
4593 1 11 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.337 0.248 18049
4594 1 11 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.392 -3.862 18049
4595 1 11 . 1 1 16 16 LEU CB C 16 42.196 42.196 41.899 0.297 18049
4596 1 11 . 1 1 16 16 LEU H H 16 8.614 8.614 7.933 0.681 18049
4597 1 11 . 1 1 17 17 LYS N N 17 122.561 122.561 121.759 0.802 18049
4598 1 11 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.843 0.937 18049
4599 1 11 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.513 -1.749 18049
4600 1 11 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.971 -2.170 18049
4601 1 11 . 1 1 17 17 LYS H H 17 8.681 8.681 8.473 0.208 18049
4602 1 11 . 1 1 18 18 LYS N N 18 117.626 117.626 115.768 1.858 18049
4603 1 11 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.139 -0.035 18049
4604 1 11 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.431 -2.612 18049
4605 1 11 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.164 -3.409 18049
4606 1 11 . 1 1 18 18 LYS H H 18 8.320 8.320 8.204 0.116 18049
4607 1 11 . 1 1 19 19 ASP N N 19 118.071 118.071 119.183 -1.112 18049
4608 1 11 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.654 0.196 18049
4609 1 11 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.893 -5.061 18049
4610 1 11 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.939 -2.039 18049
4611 1 11 . 1 1 19 19 ASP H H 19 7.770 7.770 8.324 -0.554 18049
4612 1 11 . 1 1 20 20 CYS N N 20 123.265 123.265 119.857 3.408 18049
4613 1 11 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.694 0.008 18049
4614 1 11 . 1 1 20 20 CYS CA C 20 59.556 59.556 61.259 -1.703 18049
4615 1 11 . 1 1 20 20 CYS CB C 20 28.496 28.496 25.791 2.704 18049
4616 1 11 . 1 1 20 20 CYS H H 20 7.275 7.275 7.652 -0.377 18049
4617 1 11 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.263 -4.363 18049
4618 1 11 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.750 -1.030 18049
4619 1 11 . 1 1 22 22 HIS N N 22 121.576 121.576 120.646 0.930 18049
4620 1 11 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.295 -3.811 18049
4621 1 11 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.747 -2.914 18049
4622 1 11 . 1 1 22 22 HIS H H 22 7.882 7.882 8.390 -0.508 18049
4623 1 11 . 1 1 23 23 ILE N N 23 117.100 117.100 127.193 -10.093 18049
4624 1 11 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.381 -0.211 18049
4625 1 11 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.978 -3.558 18049
4626 1 11 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.382 -0.402 18049
4627 1 11 . 1 1 23 23 ILE H H 23 8.660 8.660 8.169 0.491 18049
4628 1 11 . 1 1 24 24 ILE N N 24 126.524 126.524 120.502 6.022 18049
4629 1 11 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.330 -0.380 18049
4630 1 11 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.095 -3.405 18049
4631 1 11 . 1 1 24 24 ILE CB C 24 37.176 37.176 40.992 -3.816 18049
4632 1 11 . 1 1 24 24 ILE H H 24 8.486 8.486 8.059 0.427 18049
4633 1 11 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.267 -3.253 18049
4634 1 11 . 1 1 25 25 CYS CB C 25 27.273 27.273 27.105 0.168 18049
4635 1 11 . 1 1 26 26 SER N N 26 127.811 127.811 115.091 12.720 18049
4636 1 11 . 1 1 26 26 SER HA H 26 4.050 4.050 4.166 -0.116 18049
4637 1 11 . 1 1 26 26 SER CA C 26 58.170 58.170 58.530 -0.360 18049
4638 1 11 . 1 1 26 26 SER CB C 26 60.523 60.523 63.321 -2.798 18049
4639 1 11 . 1 1 26 26 SER H H 26 9.491 9.491 8.012 1.479 18049
4640 1 11 . 1 1 27 27 TYR N N 27 124.378 124.378 119.356 5.022 18049
4641 1 11 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.048 0.477 18049
4642 1 11 . 1 1 27 27 TYR CA C 27 57.890 57.890 60.411 -2.521 18049
4643 1 11 . 1 1 27 27 TYR CB C 27 37.093 37.093 38.223 -1.130 18049
4644 1 11 . 1 1 27 27 TYR H H 27 9.389 9.389 8.736 0.653 18049
4645 1 11 . 1 1 28 28 CYS N N 28 126.900 126.900 118.513 8.387 18049
4646 1 11 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.148 -2.227 18049
4647 1 11 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.647 0.551 18049
4648 1 11 . 1 1 28 28 CYS H H 28 8.490 8.490 7.687 0.803 18049
4649 1 11 . 1 1 29 29 GLY N N 29 113.271 113.271 113.732 -0.461 18049
4650 1 11 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.692 -1.344 18049
4651 1 11 . 1 1 29 29 GLY H H 29 7.792 7.792 8.351 -0.559 18049
4652 1 11 . 1 1 30 30 ALA N N 30 124.805 124.805 121.026 3.779 18049
4653 1 11 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.742 -0.623 18049
4654 1 11 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.346 -0.206 18049
4655 1 11 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.225 -3.505 18049
4656 1 11 . 1 1 30 30 ALA H H 30 8.541 8.541 8.264 0.277 18049
4657 1 11 . 1 1 31 31 THR N N 31 118.352 118.352 114.565 3.787 18049
4658 1 11 . 1 1 31 31 THR CA C 31 58.082 58.082 64.491 -6.409 18049
4659 1 11 . 1 1 31 31 THR CB C 31 67.072 67.072 69.018 -1.946 18049
4660 1 11 . 1 1 31 31 THR H H 31 8.544 8.544 8.594 -0.050 18049
4661 1 11 . 1 1 32 32 ASP N N 32 123.222 123.222 118.126 5.096 18049
4662 1 11 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.684 -0.641 18049
4663 1 11 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.866 -1.717 18049
4664 1 11 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.542 -5.095 18049
4665 1 11 . 1 1 32 32 ASP H H 32 9.768 9.768 8.161 1.607 18049
4666 1 11 . 1 1 33 33 ASP N N 33 116.889 116.889 119.255 -2.366 18049
4667 1 11 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.194 -0.874 18049
4668 1 11 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.825 1.365 18049
4669 1 11 . 1 1 33 33 ASP H H 33 8.111 8.111 7.647 0.464 18049
4670 1 11 . 1 1 34 34 HIS N N 34 110.849 110.849 123.554 -12.705 18049
4671 1 11 . 1 1 34 34 HIS CA C 34 53.190 53.190 55.599 -2.409 18049
4672 1 11 . 1 1 34 34 HIS CB C 34 37.770 37.770 32.945 4.825 18049
4673 1 11 . 1 1 34 34 HIS H H 34 6.959 6.959 8.369 -1.410 18049
4674 1 11 . 1 1 35 35 TYR N N 35 117.529 117.529 127.005 -9.476 18049
4675 1 11 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.851 -2.714 18049
4676 1 11 . 1 1 35 35 TYR CB C 35 37.567 37.567 38.984 -1.417 18049
4677 1 11 . 1 1 35 35 TYR H H 35 8.813 8.813 8.175 0.637 18049
4678 1 11 . 1 1 36 36 SER N N 36 121.984 121.984 121.136 0.848 18049
4679 1 11 . 1 1 36 36 SER CA C 36 57.520 57.520 59.602 -2.082 18049
4680 1 11 . 1 1 36 36 SER CB C 36 59.800 59.800 62.742 -2.942 18049
4681 1 11 . 1 1 36 36 SER H H 36 8.518 8.518 8.533 -0.015 18049
4682 1 11 . 1 1 37 37 ARG N N 37 119.707 119.707 119.800 -0.093 18049
4683 1 11 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.268 -5.597 18049
4684 1 11 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.919 -2.826 18049
4685 1 11 . 1 1 37 37 ARG H H 37 7.963 7.963 8.440 -0.477 18049
4686 1 11 . 1 1 38 38 HIS N N 38 125.394 125.394 121.809 3.585 18049
4687 1 11 . 1 1 38 38 HIS CA C 38 56.276 56.276 57.943 -1.667 18049
4688 1 11 . 1 1 38 38 HIS H H 38 7.443 7.443 7.765 -0.322 18049
4689 1 11 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.142 0.308 18049
4690 1 11 . 1 1 39 39 CYS CA C 39 51.680 51.680 60.138 -8.458 18049
4691 1 11 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.603 1.637 18049
4692 1 11 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.644 -0.334 18049
4693 1 11 . 1 1 40 40 PRO CA C 40 60.440 60.440 61.975 -1.536 18049
4694 1 11 . 1 1 40 40 PRO CB C 40 30.300 30.300 32.891 -2.591 18049
4695 1 11 . 1 1 41 41 LYS N N 41 121.400 121.400 120.578 0.822 18049
4696 1 11 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.219 -0.140 18049
4697 1 11 . 1 1 41 41 LYS CA C 41 53.680 53.680 57.277 -3.597 18049
4698 1 11 . 1 1 41 41 LYS CB C 41 29.641 29.641 32.409 -2.768 18049
4699 1 11 . 1 1 41 41 LYS H H 41 8.650 8.650 8.589 0.061 18049
4700 1 11 . 1 1 42 42 ALA N N 42 122.096 122.096 118.960 3.136 18049
4701 1 11 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.035 -0.516 18049
4702 1 11 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.433 -2.842 18049
4703 1 11 . 1 1 42 42 ALA CB C 42 16.456 16.456 18.313 -1.857 18049
4704 1 11 . 1 1 42 42 ALA H H 42 7.201 7.201 7.519 -0.318 18049
4705 1 11 . 1 1 43 43 ILE N N 43 119.646 119.646 121.374 -1.728 18049
4706 1 11 . 1 1 43 43 ILE HA H 43 3.731 3.731 3.963 -0.232 18049
4707 1 11 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.953 -2.987 18049
4708 1 11 . 1 1 43 43 ILE CB C 43 35.977 35.977 35.485 0.492 18049
4709 1 11 . 1 1 43 43 ILE H H 43 7.086 7.086 8.126 -1.040 18049
4710 1 11 . 1 1 44 44 GLN N N 44 125.541 125.541 119.138 6.403 18049
4711 1 11 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.565 -0.133 18049
4712 1 11 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.841 -2.105 18049
4713 1 11 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.974 -3.890 18049
4714 1 11 . 1 1 44 44 GLN H H 44 7.980 7.980 7.919 0.061 18049
4715 1 11 . 1 1 45 45 CYS N N 45 130.678 130.678 121.789 8.889 18049
4716 1 11 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.643 -0.523 18049
4717 1 11 . 1 1 45 45 CYS CA C 45 57.330 57.330 57.880 -0.550 18049
4718 1 11 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.436 -2.436 18049
4719 1 11 . 1 1 45 45 CYS H H 45 8.353 8.353 8.534 -0.181 18049
4720 1 11 . 1 1 46 46 SER N N 46 124.273 124.273 124.919 -0.646 18049
4721 1 11 . 1 1 46 46 SER HA H 46 4.334 4.334 4.268 0.066 18049
4722 1 11 . 1 1 46 46 SER CA C 46 56.923 56.923 60.657 -3.734 18049
4723 1 11 . 1 1 46 46 SER CB C 46 60.400 60.400 62.590 -2.189 18049
4724 1 11 . 1 1 46 46 SER H H 46 8.466 8.466 8.784 -0.318 18049
4725 1 11 . 1 1 47 47 LYS N N 47 127.929 127.929 121.108 6.821 18049
4726 1 11 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.176 0.184 18049
4727 1 11 . 1 1 47 47 LYS CA C 47 56.320 56.320 58.013 -1.693 18049
4728 1 11 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.119 -1.819 18049
4729 1 11 . 1 1 47 47 LYS H H 47 9.720 9.720 8.112 1.608 18049
4730 1 11 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.769 -0.179 18049
4731 1 11 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.473 -5.973 18049
4732 1 11 . 1 1 48 48 CYS CB C 48 28.100 28.100 29.642 -1.542 18049
4733 1 11 . 1 1 48 48 CYS H H 48 8.600 8.600 7.664 0.936 18049
4734 1 11 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.916 -0.206 18049
4735 1 11 . 1 1 49 49 ASP CA C 49 54.300 54.300 53.151 1.149 18049
4736 1 11 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.132 -1.931 18049
4737 1 11 . 1 1 49 49 ASP H H 49 8.830 8.830 8.358 0.472 18049
4738 1 11 . 1 1 50 50 GLU N N 50 118.700 118.700 119.754 -1.054 18049
4739 1 11 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.230 0.065 18049
4740 1 11 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.504 -3.164 18049
4741 1 11 . 1 1 50 50 GLU CB C 50 28.500 28.500 29.719 -1.219 18049
4742 1 11 . 1 1 50 50 GLU H H 50 8.226 8.226 8.674 -0.448 18049
4743 1 11 . 1 1 51 51 VAL N N 51 118.593 118.593 119.887 -1.294 18049
4744 1 11 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.604 0.669 18049
4745 1 11 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.014 -4.634 18049
4746 1 11 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.284 -1.034 18049
4747 1 11 . 1 1 51 51 VAL H H 51 8.216 8.216 7.765 0.451 18049
4748 1 11 . 1 1 52 52 GLY N N 52 110.908 110.908 107.387 3.521 18049
4749 1 11 . 1 1 52 52 GLY CA C 52 42.690 42.690 46.449 -3.759 18049
4750 1 11 . 1 1 52 52 GLY H H 52 8.630 8.630 8.657 -0.027 18049
4751 1 11 . 1 1 53 53 HIS N N 53 113.633 113.633 118.925 -5.292 18049
4752 1 11 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.504 0.086 18049
4753 1 11 . 1 1 53 53 HIS CA C 53 52.450 52.450 53.510 -1.060 18049
4754 1 11 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.231 -1.191 18049
4755 1 11 . 1 1 53 53 HIS H H 53 6.855 6.855 7.300 -0.445 18049
4756 1 11 . 1 1 54 54 TYR N N 54 115.154 115.154 120.178 -5.024 18049
4757 1 11 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.371 -0.201 18049
4758 1 11 . 1 1 54 54 TYR CA C 54 53.800 53.800 58.447 -4.647 18049
4759 1 11 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.860 -2.231 18049
4760 1 11 . 1 1 54 54 TYR H H 54 8.054 8.054 8.515 -0.461 18049
4761 1 11 . 1 1 55 55 ARG N N 55 126.509 126.509 123.216 3.293 18049
4762 1 11 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.244 -0.645 18049
4763 1 11 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.519 -0.696 18049
4764 1 11 . 1 1 55 55 ARG CB C 55 26.221 26.221 30.316 -4.095 18049
4765 1 11 . 1 1 55 55 ARG H H 55 8.490 8.490 8.591 -0.101 18049
4766 1 11 . 1 1 56 56 SER N N 56 116.450 116.450 114.018 2.432 18049
4767 1 11 . 1 1 56 56 SER CA C 56 56.523 56.523 58.529 -2.006 18049
4768 1 11 . 1 1 56 56 SER CB C 56 62.261 62.261 61.855 0.406 18049
4769 1 11 . 1 1 56 56 SER H H 56 8.247 8.247 8.677 -0.430 18049
4770 1 11 . 1 1 57 57 GLN N N 57 124.678 124.678 115.279 9.399 18049
4771 1 11 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.074 0.100 18049
4772 1 11 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.339 -2.729 18049
4773 1 11 . 1 1 57 57 GLN CB C 57 27.060 27.060 27.214 -0.154 18049
4774 1 11 . 1 1 57 57 GLN H H 57 8.702 8.702 8.045 0.657 18049
4775 1 11 . 1 1 58 58 CYS N N 58 126.577 126.577 120.581 5.996 18049
4776 1 11 . 1 1 58 58 CYS HA H 58 4.416 4.416 3.939 0.477 18049
4777 1 11 . 1 1 58 58 CYS CA C 58 55.001 55.001 59.025 -4.024 18049
4778 1 11 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.204 3.876 18049
4779 1 11 . 1 1 58 58 CYS H H 58 7.694 7.694 8.552 -0.858 18049
4780 1 11 . 1 1 62 62 TRP CA C 62 59.791 59.791 58.901 0.890 18049
4781 1 11 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.756 -2.345 18049
4782 1 11 . 1 1 63 63 LYS N N 63 121.641 121.641 126.281 -4.640 18049
4783 1 11 . 1 1 63 63 LYS CA C 63 52.372 52.372 54.497 -2.125 18049
4784 1 11 . 1 1 63 63 LYS CB C 63 27.792 27.792 34.739 -6.947 18049
4785 1 11 . 1 1 63 63 LYS H H 63 8.033 8.033 7.519 0.514 18049
4786 1 11 . 1 1 64 64 LYS N N 64 111.775 111.775 119.552 -7.777 18049
4787 1 11 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.045 -1.302 18049
4788 1 11 . 1 1 64 64 LYS H H 64 8.104 8.104 7.725 0.379 18049
4789 1 11 . 1 1 65 65 VAL N N 65 122.037 122.037 122.036 0.001 18049
4790 1 11 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.887 0.153 18049
4791 1 11 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.718 -3.428 18049
4792 1 11 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.440 -3.029 18049
4793 1 11 . 1 1 65 65 VAL H H 65 8.306 8.306 8.196 0.110 18049
4794 1 11 . 1 1 66 66 GLN N N 66 121.994 121.994 123.557 -1.563 18049
4795 1 11 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.437 -2.834 18049
4796 1 11 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.946 1.354 18049
4797 1 11 . 1 1 66 66 GLN H H 66 8.360 8.360 8.450 -0.090 18049
4798 1 11 . 1 1 67 67 CYS N N 67 121.582 121.582 117.868 3.714 18049
4799 1 11 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.879 -0.840 18049
4800 1 11 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.034 1.181 18049
4801 1 11 . 1 1 67 67 CYS CB C 67 30.532 30.532 31.131 -0.599 18049
4802 1 11 . 1 1 67 67 CYS H H 67 8.032 8.032 7.633 0.399 18049
4803 1 11 . 1 1 68 68 THR HA H 68 4.046 4.046 4.410 -0.364 18049
4804 1 11 . 1 1 68 68 THR CA C 68 61.228 61.228 62.670 -1.442 18049
4805 1 11 . 1 1 68 68 THR CB C 68 65.371 65.371 69.799 -4.428 18049
4806 1 11 . 1 1 69 69 LEU N N 69 124.335 124.335 122.995 1.340 18049
4807 1 11 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.185 0.197 18049
4808 1 11 . 1 1 69 69 LEU CA C 69 54.429 54.429 57.018 -2.589 18049
4809 1 11 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.764 -1.974 18049
4810 1 11 . 1 1 69 69 LEU H H 69 9.024 9.024 8.281 0.743 18049
4811 1 11 . 1 1 70 70 CYS N N 70 118.876 118.876 117.974 0.902 18049
4812 1 11 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.546 -0.210 18049
4813 1 11 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.935 -5.790 18049
4814 1 11 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.619 1.244 18049
4815 1 11 . 1 1 70 70 CYS H H 70 8.716 8.716 7.992 0.724 18049
4816 1 11 . 1 1 71 71 LYS N N 71 122.961 122.961 123.513 -0.552 18049
4817 1 11 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.599 -0.432 18049
4818 1 11 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.661 -1.826 18049
4819 1 11 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.709 0.811 18049
4820 1 11 . 1 1 71 71 LYS H H 71 8.505 8.505 8.677 -0.172 18049
4821 1 11 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.407 -0.169 18049
4822 1 11 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.161 -1.918 18049
4823 1 11 . 1 1 75 75 HIS N N 75 111.915 111.915 120.621 -8.706 18049
4824 1 11 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.703 -0.243 18049
4825 1 11 . 1 1 75 75 HIS CA C 75 52.255 52.255 56.043 -3.788 18049
4826 1 11 . 1 1 75 75 HIS CB C 75 28.700 28.700 32.650 -3.950 18049
4827 1 11 . 1 1 75 75 HIS H H 75 6.732 6.732 8.524 -1.792 18049
4828 1 11 . 1 1 78 78 GLU N N 78 118.980 118.980 117.534 1.446 18049
4829 1 11 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.299 -0.289 18049
4830 1 11 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.136 -0.656 18049
4831 1 11 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.302 5.048 18049
4832 1 11 . 1 1 78 78 GLU H H 78 8.831 8.831 8.463 0.368 18049
4833 1 11 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.566 -0.286 18049
4834 1 11 . 1 1 81 81 PRO CA C 81 61.512 61.512 63.531 -2.019 18049
4835 1 11 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.139 -2.625 18049
4836 1 11 . 1 1 82 82 SER N N 82 116.172 116.172 114.021 2.151 18049
4837 1 11 . 1 1 82 82 SER HA H 82 4.105 4.105 4.254 -0.149 18049
4838 1 11 . 1 1 82 82 SER CA C 82 58.317 58.317 58.583 -0.266 18049
4839 1 11 . 1 1 82 82 SER CB C 82 60.104 60.104 63.224 -3.120 18049
4840 1 11 . 1 1 82 82 SER H H 82 8.684 8.684 8.203 0.481 18049
4841 1 11 . 1 1 83 83 ILE N N 83 118.847 118.847 120.918 -2.071 18049
4842 1 11 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.449 -1.281 18049
4843 1 11 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.557 -1.075 18049
4844 1 11 . 1 1 83 83 ILE H H 83 7.424 7.424 8.227 -0.803 18049
4845 1 11 . 1 1 84 84 TRP N N 84 115.140 115.140 130.963 -15.823 18049
4846 1 11 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.083 -2.490 18049
4847 1 11 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.828 -3.960 18049
4848 1 11 . 1 1 84 84 TRP H H 84 8.131 8.131 8.709 -0.578 18049
4849 1 11 . 1 1 85 85 ARG N N 85 118.936 118.936 125.020 -6.084 18049
4850 1 11 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.771 -4.553 18049
4851 1 11 . 1 1 85 85 ARG CB C 85 29.330 29.330 31.583 -2.253 18049
4852 1 11 . 1 1 85 85 ARG H H 85 7.884 7.884 8.007 -0.123 18049
4853 1 11 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.503 -0.533 18049
4854 1 11 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.154 -1.134 18049
4855 1 11 . 1 1 86 86 ALA CB C 86 16.400 16.400 20.359 -3.959 18049
4856 1 11 . 1 1 87 87 TYR N N 87 117.965 117.965 118.144 -0.179 18049
4857 1 11 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.880 -0.424 18049
4858 1 11 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.364 -2.436 18049
4859 1 11 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.901 -0.889 18049
4860 1 11 . 1 1 87 87 TYR H H 87 7.733 7.733 8.224 -0.491 18049
4861 1 11 . 1 1 89 89 LEU CA C 89 55.641 55.641 53.887 1.754 18049
4862 1 11 . 1 1 89 89 LEU CB C 89 36.799 36.799 44.534 -7.735 18049
4863 1 11 . 1 1 90 90 VAL N N 90 118.969 118.969 121.980 -3.011 18049
4864 1 11 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.933 -2.823 18049
4865 1 11 . 1 1 90 90 VAL CB C 90 30.127 30.127 33.644 -3.517 18049
4866 1 11 . 1 1 90 90 VAL H H 90 8.944 8.944 8.297 0.647 18049
4867 1 11 . 1 1 91 91 ASP N N 91 127.947 127.947 124.862 3.085 18049
4868 1 11 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.534 -3.566 18049
4869 1 11 . 1 1 91 91 ASP CB C 91 38.862 38.862 43.792 -4.930 18049
4870 1 11 . 1 1 91 91 ASP H H 91 8.320 8.320 8.386 -0.066 18049
4871 1 11 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.409 -1.391 18049
4872 1 11 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.439 -3.992 18049
4873 1 11 . 1 1 93 93 ASN N N 93 118.727 118.727 120.430 -1.703 18049
4874 1 11 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.729 -1.576 18049
4875 1 11 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.671 -3.300 18049
4876 1 11 . 1 1 93 93 ASN H H 93 8.396 8.396 8.384 0.012 18049
4877 1 11 . 1 1 94 94 GLU N N 94 120.824 120.824 121.170 -0.346 18049
4878 1 11 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.181 -1.792 18049
4879 1 11 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.630 -4.360 18049
4880 1 11 . 1 1 94 94 GLU H H 94 8.266 8.266 8.545 -0.279 18049
4881 1 11 . 1 1 95 95 LYS N N 95 121.079 121.079 120.100 0.979 18049
4882 1 11 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.687 -0.531 18049
4883 1 11 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.908 -2.067 18049
4884 1 11 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.496 -3.323 18049
4885 1 11 . 1 1 95 95 LYS H H 95 8.055 8.055 8.429 -0.374 18049
4886 1 11 . 1 1 96 96 ALA N N 96 124.103 124.103 123.844 0.259 18049
4887 1 11 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.976 -0.774 18049
4888 1 11 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.291 -1.564 18049
4889 1 11 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.888 -4.136 18049
4890 1 11 . 1 1 96 96 ALA H H 96 8.053 8.053 8.726 -0.673 18049
4891 1 11 . 1 1 97 97 LYS N N 97 121.893 121.893 121.469 0.424 18049
4892 1 11 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.615 0.270 18049
4893 1 11 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.846 -3.387 18049
4894 1 11 . 1 1 97 97 LYS H H 97 8.091 8.091 8.488 -0.397 18049
4895 1 11 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.659 -0.223 18049
4896 1 11 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.518 -2.493 18049
4897 1 11 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.483 -2.941 18049
4898 1 11 . 1 1 99 99 LYS N N 99 121.497 121.497 119.220 2.277 18049
4899 1 11 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.304 0.061 18049
4900 1 11 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.463 -3.804 18049
4901 1 11 . 1 1 99 99 LYS CB C 99 31.973 31.973 32.594 -0.621 18049
4902 1 11 . 1 1 99 99 LYS H H 99 8.241 8.241 8.188 0.053 18049
4903 1 11 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.668 -0.401 18049
4904 1 11 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.819 -1.417 18049
4905 1 11 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.352 -2.895 18049
4906 1 11 . 1 1 103 103 PHE N N 103 118.755 118.755 118.494 0.261 18049
4907 1 11 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.816 -1.757 18049
4908 1 11 . 1 1 103 103 PHE H H 103 8.675 8.675 7.869 0.806 18049
4909 1 11 . 1 1 105 105 THR HA H 105 4.630 4.630 4.278 0.352 18049
4910 1 11 . 1 1 105 105 THR CA C 105 59.356 59.356 61.846 -2.490 18049
4911 1 11 . 1 1 105 105 THR CB C 105 67.299 67.299 68.359 -1.060 18049
4912 1 11 . 1 1 106 106 ILE N N 106 124.035 124.035 122.903 1.132 18049
4913 1 11 . 1 1 106 106 ILE HA H 106 4.631 4.631 3.654 0.977 18049
4914 1 11 . 1 1 106 106 ILE CA C 106 57.730 57.730 64.221 -6.491 18049
4915 1 11 . 1 1 106 106 ILE CB C 106 36.907 36.907 37.924 -1.017 18049
4916 1 11 . 1 1 106 106 ILE H H 106 7.833 7.833 7.926 -0.092 18049
4917 1 11 . 1 1 107 107 TYR N N 107 118.339 118.339 116.153 2.186 18049
4918 1 11 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.403 0.137 18049
4919 1 11 . 1 1 107 107 TYR CA C 107 55.828 55.828 59.062 -3.234 18049
4920 1 11 . 1 1 107 107 TYR CB C 107 37.240 37.240 38.431 -1.190 18049
4921 1 11 . 1 1 107 107 TYR H H 107 8.925 8.925 7.817 1.108 18049
4922 1 11 . 1 1 108 108 CYS N N 108 130.380 130.380 117.968 12.412 18049
4923 1 11 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.609 -0.489 18049
4924 1 11 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.519 -1.569 18049
4925 1 11 . 1 1 108 108 CYS CB C 108 27.900 27.900 26.392 1.508 18049
4926 1 11 . 1 1 108 108 CYS H H 108 8.335 8.335 8.320 0.015 18049
4927 1 11 . 1 1 109 109 TYR N N 109 126.618 126.618 122.391 4.227 18049
4928 1 11 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.240 0.160 18049
4929 1 11 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.542 -4.272 18049
4930 1 11 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.754 -3.254 18049
4931 1 11 . 1 1 109 109 TYR H H 109 8.011 8.011 7.644 0.367 18049
4932 1 11 . 1 1 110 110 ASN N N 110 125.398 125.398 115.911 9.487 18049
4933 1 11 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.306 0.496 18049
4934 1 11 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.501 -0.932 18049
4935 1 11 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.015 -0.093 18049
4936 1 11 . 1 1 110 110 ASN H H 110 9.284 9.284 7.498 1.786 18049
4937 1 11 . 1 1 111 111 CYS N N 111 118.921 118.921 115.049 3.872 18049
4938 1 11 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.718 0.192 18049
4939 1 11 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.376 -2.390 18049
4940 1 11 . 1 1 111 111 CYS CB C 111 30.172 30.172 30.095 0.077 18049
4941 1 11 . 1 1 111 111 CYS H H 111 9.171 9.171 7.770 1.401 18049
4942 1 11 . 1 1 112 112 GLY N N 112 114.064 114.064 112.898 1.166 18049
4943 1 11 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.631 -1.350 18049
4944 1 11 . 1 1 112 112 GLY H H 112 7.840 7.840 8.362 -0.522 18049
4945 1 11 . 1 1 113 113 GLY N N 113 112.541 112.541 106.261 6.280 18049
4946 1 11 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.882 -3.689 18049
4947 1 11 . 1 1 113 113 GLY H H 113 9.023 9.023 8.519 0.504 18049
4948 1 11 . 1 1 114 114 LYS N N 114 119.130 119.130 119.227 -0.097 18049
4949 1 11 . 1 1 114 114 LYS HA H 114 4.260 4.260 3.966 0.294 18049
4950 1 11 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.169 -4.419 18049
4951 1 11 . 1 1 114 114 LYS CB C 114 31.680 31.680 31.068 0.612 18049
4952 1 11 . 1 1 114 114 LYS H H 114 8.200 8.200 8.126 0.074 18049
4953 1 11 . 1 1 115 115 GLY N N 115 108.864 108.864 109.846 -0.982 18049
4954 1 11 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.012 -1.939 18049
4955 1 11 . 1 1 115 115 GLY H H 115 8.501 8.501 8.397 0.104 18049
4956 1 11 . 1 1 116 116 HIS N N 116 113.173 113.173 117.517 -4.344 18049
4957 1 11 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.450 -0.019 18049
4958 1 11 . 1 1 116 116 HIS CA C 116 52.400 52.400 53.682 -1.282 18049
4959 1 11 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.610 -2.079 18049
4960 1 11 . 1 1 116 116 HIS H H 116 6.665 6.665 7.686 -1.021 18049
4961 1 11 . 1 1 117 117 PHE N N 117 116.353 116.353 120.457 -4.104 18049
4962 1 11 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.082 0.598 18049
4963 1 11 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.920 -3.836 18049
4964 1 11 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.903 1.361 18049
4965 1 11 . 1 1 117 117 PHE H H 117 8.529 8.529 8.613 -0.084 18049
4966 1 11 . 1 1 118 118 GLY N N 118 108.977 108.977 107.815 1.162 18049
4967 1 11 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.668 -1.307 18049
4968 1 11 . 1 1 118 118 GLY H H 118 8.870 8.870 8.642 0.228 18049
4969 1 11 . 1 1 119 119 ASP N N 119 117.997 117.997 120.071 -2.074 18049
4970 1 11 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.508 -0.164 18049
4971 1 11 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.522 -3.018 18049
4972 1 11 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.177 -3.367 18049
4973 1 11 . 1 1 119 119 ASP H H 119 7.892 7.892 8.096 -0.204 18049
4974 1 11 . 1 1 120 120 ASP N N 120 116.782 116.782 119.795 -3.013 18049
4975 1 11 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.526 0.329 18049
4976 1 11 . 1 1 120 120 ASP CA C 120 50.685 50.685 56.248 -5.563 18049
4977 1 11 . 1 1 120 120 ASP CB C 120 40.199 40.199 40.987 -0.788 18049
4978 1 11 . 1 1 120 120 ASP H H 120 7.730 7.730 7.893 -0.163 18049
4979 1 11 . 1 1 121 121 CYS N N 121 125.836 125.836 117.678 8.158 18049
4980 1 11 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.301 0.479 18049
4981 1 11 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.644 -3.577 18049
4982 1 11 . 1 1 121 121 CYS CB C 121 28.200 28.200 26.439 1.761 18049
4983 1 11 . 1 1 121 121 CYS H H 121 7.667 7.667 8.147 -0.480 18049
4984 1 12 . 1 1 3 3 ALA N N 3 125.353 125.353 122.671 2.682 18049
4985 1 12 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.482 -0.287 18049
4986 1 12 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.880 -2.302 18049
4987 1 12 . 1 1 3 3 ALA CB C 3 16.811 16.811 19.139 -2.328 18049
4988 1 12 . 1 1 3 3 ALA H H 3 8.182 8.182 7.795 0.387 18049
4989 1 12 . 1 1 4 4 ALA N N 4 124.707 124.707 128.727 -4.020 18049
4990 1 12 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.419 0.041 18049
4991 1 12 . 1 1 4 4 ALA CA C 4 47.760 47.760 52.799 -5.039 18049
4992 1 12 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.311 -1.513 18049
4993 1 12 . 1 1 4 4 ALA H H 4 8.151 8.151 8.965 -0.814 18049
4994 1 12 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.376 0.094 18049
4995 1 12 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.422 -4.101 18049
4996 1 12 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.756 -1.956 18049
4997 1 12 . 1 1 6 6 LYS N N 6 121.400 121.400 118.248 3.152 18049
4998 1 12 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.002 0.261 18049
4999 1 12 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.278 -5.647 18049
5000 1 12 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.735 0.265 18049
5001 1 12 . 1 1 6 6 LYS H H 6 8.230 8.230 8.685 -0.455 18049
5002 1 12 . 1 1 7 7 CYS N N 7 128.995 128.995 116.426 12.569 18049
5003 1 12 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.737 -0.623 18049
5004 1 12 . 1 1 7 7 CYS CA C 7 57.020 57.020 58.041 -1.022 18049
5005 1 12 . 1 1 7 7 CYS CB C 7 27.720 27.720 31.040 -3.320 18049
5006 1 12 . 1 1 7 7 CYS H H 7 8.354 8.354 8.298 0.056 18049
5007 1 12 . 1 1 8 8 ASN N N 8 127.325 127.325 121.793 5.532 18049
5008 1 12 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.498 0.207 18049
5009 1 12 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.483 -3.574 18049
5010 1 12 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.818 -2.888 18049
5011 1 12 . 1 1 8 8 ASN H H 8 8.659 8.659 8.953 -0.294 18049
5012 1 12 . 1 1 9 9 ASN N N 9 122.394 122.394 116.108 6.286 18049
5013 1 12 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.701 0.099 18049
5014 1 12 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.219 0.093 18049
5015 1 12 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.125 -1.250 18049
5016 1 12 . 1 1 9 9 ASN H H 9 9.861 9.861 8.235 1.626 18049
5017 1 12 . 1 1 10 10 CYS N N 10 117.508 117.508 118.992 -1.484 18049
5018 1 12 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.716 -0.011 18049
5019 1 12 . 1 1 10 10 CYS CA C 10 56.350 56.350 57.805 -1.455 18049
5020 1 12 . 1 1 10 10 CYS CB C 10 29.540 29.540 29.259 0.281 18049
5021 1 12 . 1 1 10 10 CYS H H 10 8.814 8.814 8.088 0.726 18049
5022 1 12 . 1 1 11 11 SER N N 11 115.934 115.934 115.454 0.480 18049
5023 1 12 . 1 1 11 11 SER HA H 11 4.150 4.150 4.535 -0.385 18049
5024 1 12 . 1 1 11 11 SER CA C 11 58.769 58.769 57.833 0.936 18049
5025 1 12 . 1 1 11 11 SER CB C 11 59.635 59.635 64.317 -4.682 18049
5026 1 12 . 1 1 11 11 SER H H 11 7.821 7.821 8.100 -0.279 18049
5027 1 12 . 1 1 12 12 GLN N N 12 120.325 120.325 119.814 0.511 18049
5028 1 12 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.094 0.267 18049
5029 1 12 . 1 1 12 12 GLN CA C 12 52.870 52.870 57.399 -4.529 18049
5030 1 12 . 1 1 12 12 GLN CB C 12 27.913 27.913 27.496 0.417 18049
5031 1 12 . 1 1 12 12 GLN H H 12 8.311 8.311 8.728 -0.417 18049
5032 1 12 . 1 1 13 13 ARG N N 13 118.657 118.657 118.905 -0.248 18049
5033 1 12 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.481 -0.113 18049
5034 1 12 . 1 1 13 13 ARG CA C 13 53.030 53.030 54.197 -1.167 18049
5035 1 12 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.820 1.480 18049
5036 1 12 . 1 1 13 13 ARG H H 13 8.430 8.430 8.075 0.355 18049
5037 1 12 . 1 1 14 14 GLY N N 14 107.015 107.015 109.940 -2.925 18049
5038 1 12 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.985 -3.255 18049
5039 1 12 . 1 1 14 14 GLY H H 14 8.706 8.706 8.946 -0.240 18049
5040 1 12 . 1 1 15 15 HIS N N 15 113.397 113.397 122.251 -8.854 18049
5041 1 12 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.652 -0.052 18049
5042 1 12 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.373 -0.938 18049
5043 1 12 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.314 -0.427 18049
5044 1 12 . 1 1 15 15 HIS H H 15 6.998 6.998 8.034 -1.036 18049
5045 1 12 . 1 1 16 16 LEU N N 16 117.239 117.239 120.849 -3.610 18049
5046 1 12 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.350 0.235 18049
5047 1 12 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.339 -3.810 18049
5048 1 12 . 1 1 16 16 LEU CB C 16 42.196 42.196 41.741 0.455 18049
5049 1 12 . 1 1 16 16 LEU H H 16 8.614 8.614 7.942 0.672 18049
5050 1 12 . 1 1 17 17 LYS N N 17 122.561 122.561 121.568 0.993 18049
5051 1 12 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.912 0.868 18049
5052 1 12 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.375 -1.611 18049
5053 1 12 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.816 -2.015 18049
5054 1 12 . 1 1 17 17 LYS H H 17 8.681 8.681 8.738 -0.057 18049
5055 1 12 . 1 1 18 18 LYS N N 18 117.626 117.626 114.965 2.661 18049
5056 1 12 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.185 -0.081 18049
5057 1 12 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.050 -2.231 18049
5058 1 12 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.223 -3.468 18049
5059 1 12 . 1 1 18 18 LYS H H 18 8.320 8.320 8.034 0.286 18049
5060 1 12 . 1 1 19 19 ASP N N 19 118.071 118.071 120.261 -2.190 18049
5061 1 12 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.593 0.257 18049
5062 1 12 . 1 1 19 19 ASP CA C 19 50.832 50.832 57.091 -6.259 18049
5063 1 12 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.531 -1.631 18049
5064 1 12 . 1 1 19 19 ASP H H 19 7.770 7.770 8.015 -0.245 18049
5065 1 12 . 1 1 20 20 CYS N N 20 123.265 123.265 118.620 4.645 18049
5066 1 12 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.822 -0.120 18049
5067 1 12 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.804 -1.248 18049
5068 1 12 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.107 1.389 18049
5069 1 12 . 1 1 20 20 CYS H H 20 7.275 7.275 8.083 -0.808 18049
5070 1 12 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.394 -4.494 18049
5071 1 12 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.453 -0.734 18049
5072 1 12 . 1 1 22 22 HIS N N 22 121.576 121.576 123.741 -2.165 18049
5073 1 12 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.311 -2.827 18049
5074 1 12 . 1 1 22 22 HIS CB C 22 27.833 27.833 31.968 -4.135 18049
5075 1 12 . 1 1 22 22 HIS H H 22 7.882 7.882 8.483 -0.601 18049
5076 1 12 . 1 1 23 23 ILE N N 23 117.100 117.100 124.408 -7.308 18049
5077 1 12 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.046 0.124 18049
5078 1 12 . 1 1 23 23 ILE CA C 23 57.420 57.420 61.164 -3.744 18049
5079 1 12 . 1 1 23 23 ILE CB C 23 36.980 36.980 35.860 1.120 18049
5080 1 12 . 1 1 23 23 ILE H H 23 8.660 8.660 7.548 1.112 18049
5081 1 12 . 1 1 24 24 ILE N N 24 126.524 126.524 121.999 4.525 18049
5082 1 12 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.377 -0.427 18049
5083 1 12 . 1 1 24 24 ILE CA C 24 56.690 56.690 58.918 -2.228 18049
5084 1 12 . 1 1 24 24 ILE CB C 24 37.176 37.176 40.989 -3.813 18049
5085 1 12 . 1 1 24 24 ILE H H 24 8.486 8.486 7.695 0.791 18049
5086 1 12 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.286 -3.272 18049
5087 1 12 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.111 -0.838 18049
5088 1 12 . 1 1 26 26 SER N N 26 127.811 127.811 123.785 4.026 18049
5089 1 12 . 1 1 26 26 SER HA H 26 4.050 4.050 4.114 -0.064 18049
5090 1 12 . 1 1 26 26 SER CA C 26 58.170 58.170 59.291 -1.121 18049
5091 1 12 . 1 1 26 26 SER CB C 26 60.523 60.523 63.342 -2.819 18049
5092 1 12 . 1 1 26 26 SER H H 26 9.491 9.491 8.498 0.993 18049
5093 1 12 . 1 1 27 27 TYR N N 27 124.378 124.378 120.259 4.119 18049
5094 1 12 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.247 0.278 18049
5095 1 12 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.046 -1.156 18049
5096 1 12 . 1 1 27 27 TYR CB C 27 37.093 37.093 35.650 1.443 18049
5097 1 12 . 1 1 27 27 TYR H H 27 9.389 9.389 8.473 0.916 18049
5098 1 12 . 1 1 28 28 CYS N N 28 126.900 126.900 116.514 10.386 18049
5099 1 12 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.458 -2.537 18049
5100 1 12 . 1 1 28 28 CYS CB C 28 30.198 30.198 30.767 -0.569 18049
5101 1 12 . 1 1 28 28 CYS H H 28 8.490 8.490 7.539 0.951 18049
5102 1 12 . 1 1 29 29 GLY N N 29 113.271 113.271 105.649 7.622 18049
5103 1 12 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.825 -1.477 18049
5104 1 12 . 1 1 29 29 GLY H H 29 7.792 7.792 7.304 0.488 18049
5105 1 12 . 1 1 30 30 ALA N N 30 124.805 124.805 121.004 3.801 18049
5106 1 12 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.912 -0.793 18049
5107 1 12 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.176 0.964 18049
5108 1 12 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.686 -2.966 18049
5109 1 12 . 1 1 30 30 ALA H H 30 8.541 8.541 8.330 0.211 18049
5110 1 12 . 1 1 31 31 THR N N 31 118.352 118.352 112.835 5.517 18049
5111 1 12 . 1 1 31 31 THR CA C 31 58.082 58.082 64.664 -6.582 18049
5112 1 12 . 1 1 31 31 THR CB C 31 67.072 67.072 69.097 -2.025 18049
5113 1 12 . 1 1 31 31 THR H H 31 8.544 8.544 8.587 -0.043 18049
5114 1 12 . 1 1 32 32 ASP N N 32 123.222 123.222 118.995 4.227 18049
5115 1 12 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.755 -0.712 18049
5116 1 12 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.210 -1.061 18049
5117 1 12 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.395 -4.948 18049
5118 1 12 . 1 1 32 32 ASP H H 32 9.768 9.768 8.098 1.670 18049
5119 1 12 . 1 1 33 33 ASP N N 33 116.889 116.889 119.094 -2.205 18049
5120 1 12 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.127 -0.807 18049
5121 1 12 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.267 1.923 18049
5122 1 12 . 1 1 33 33 ASP H H 33 8.111 8.111 7.653 0.458 18049
5123 1 12 . 1 1 34 34 HIS N N 34 110.849 110.849 123.197 -12.348 18049
5124 1 12 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.072 -2.882 18049
5125 1 12 . 1 1 34 34 HIS CB C 34 37.770 37.770 32.443 5.327 18049
5126 1 12 . 1 1 34 34 HIS H H 34 6.959 6.959 7.940 -0.981 18049
5127 1 12 . 1 1 35 35 TYR N N 35 117.529 117.529 117.230 0.299 18049
5128 1 12 . 1 1 35 35 TYR CA C 35 54.137 54.137 59.504 -5.367 18049
5129 1 12 . 1 1 35 35 TYR CB C 35 37.567 37.567 35.819 1.748 18049
5130 1 12 . 1 1 35 35 TYR H H 35 8.813 8.813 7.114 1.699 18049
5131 1 12 . 1 1 36 36 SER N N 36 121.984 121.984 117.816 4.168 18049
5132 1 12 . 1 1 36 36 SER CA C 36 57.520 57.520 58.907 -1.387 18049
5133 1 12 . 1 1 36 36 SER CB C 36 59.800 59.800 63.539 -3.739 18049
5134 1 12 . 1 1 36 36 SER H H 36 8.518 8.518 7.510 1.008 18049
5135 1 12 . 1 1 37 37 ARG N N 37 119.707 119.707 119.592 0.115 18049
5136 1 12 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.021 -5.350 18049
5137 1 12 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.214 -2.121 18049
5138 1 12 . 1 1 37 37 ARG H H 37 7.963 7.963 8.619 -0.656 18049
5139 1 12 . 1 1 38 38 HIS N N 38 125.394 125.394 116.580 8.814 18049
5140 1 12 . 1 1 38 38 HIS CA C 38 56.276 56.276 57.508 -1.232 18049
5141 1 12 . 1 1 38 38 HIS H H 38 7.443 7.443 8.167 -0.724 18049
5142 1 12 . 1 1 39 39 CYS HA H 39 4.450 4.450 3.920 0.530 18049
5143 1 12 . 1 1 39 39 CYS CA C 39 51.680 51.680 62.334 -10.655 18049
5144 1 12 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.931 2.309 18049
5145 1 12 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.707 -0.397 18049
5146 1 12 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.880 -3.440 18049
5147 1 12 . 1 1 40 40 PRO CB C 40 30.300 30.300 32.212 -1.912 18049
5148 1 12 . 1 1 41 41 LYS N N 41 121.400 121.400 123.026 -1.626 18049
5149 1 12 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.478 -0.399 18049
5150 1 12 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.844 -2.164 18049
5151 1 12 . 1 1 41 41 LYS CB C 41 29.641 29.641 35.820 -6.179 18049
5152 1 12 . 1 1 41 41 LYS H H 41 8.650 8.650 8.871 -0.221 18049
5153 1 12 . 1 1 42 42 ALA N N 42 122.096 122.096 121.508 0.588 18049
5154 1 12 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.765 -1.246 18049
5155 1 12 . 1 1 42 42 ALA CA C 42 49.591 49.591 51.803 -2.212 18049
5156 1 12 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.953 -4.497 18049
5157 1 12 . 1 1 42 42 ALA H H 42 7.201 7.201 7.725 -0.524 18049
5158 1 12 . 1 1 43 43 ILE N N 43 119.646 119.646 116.891 2.755 18049
5159 1 12 . 1 1 43 43 ILE HA H 43 3.731 3.731 3.784 -0.053 18049
5160 1 12 . 1 1 43 43 ILE CA C 43 57.966 57.966 61.779 -3.813 18049
5161 1 12 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.661 -0.684 18049
5162 1 12 . 1 1 43 43 ILE H H 43 7.086 7.086 8.355 -1.269 18049
5163 1 12 . 1 1 44 44 GLN N N 44 125.541 125.541 117.976 7.565 18049
5164 1 12 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.563 -0.131 18049
5165 1 12 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.757 -2.021 18049
5166 1 12 . 1 1 44 44 GLN CB C 44 28.084 28.084 32.018 -3.934 18049
5167 1 12 . 1 1 44 44 GLN H H 44 7.980 7.980 7.898 0.082 18049
5168 1 12 . 1 1 45 45 CYS N N 45 130.678 130.678 120.309 10.369 18049
5169 1 12 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.561 -0.442 18049
5170 1 12 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.367 -2.037 18049
5171 1 12 . 1 1 45 45 CYS CB C 45 28.000 28.000 28.974 -0.974 18049
5172 1 12 . 1 1 45 45 CYS H H 45 8.353 8.353 8.184 0.169 18049
5173 1 12 . 1 1 46 46 SER N N 46 124.273 124.273 116.753 7.520 18049
5174 1 12 . 1 1 46 46 SER HA H 46 4.334 4.334 4.396 -0.062 18049
5175 1 12 . 1 1 46 46 SER CA C 46 56.923 56.923 60.515 -3.592 18049
5176 1 12 . 1 1 46 46 SER CB C 46 60.400 60.400 63.169 -2.769 18049
5177 1 12 . 1 1 46 46 SER H H 46 8.466 8.466 8.628 -0.162 18049
5178 1 12 . 1 1 47 47 LYS N N 47 127.929 127.929 119.611 8.318 18049
5179 1 12 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.495 -0.135 18049
5180 1 12 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.495 -0.175 18049
5181 1 12 . 1 1 47 47 LYS CB C 47 31.300 31.300 34.495 -3.195 18049
5182 1 12 . 1 1 47 47 LYS H H 47 9.720 9.720 8.361 1.359 18049
5183 1 12 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.856 -0.266 18049
5184 1 12 . 1 1 48 48 CYS CA C 48 51.500 51.500 56.694 -5.194 18049
5185 1 12 . 1 1 48 48 CYS CB C 48 28.100 28.100 31.241 -3.141 18049
5186 1 12 . 1 1 48 48 CYS H H 48 8.600 8.600 7.844 0.756 18049
5187 1 12 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.535 0.175 18049
5188 1 12 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.807 -0.507 18049
5189 1 12 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.922 0.278 18049
5190 1 12 . 1 1 49 49 ASP H H 49 8.830 8.830 8.332 0.498 18049
5191 1 12 . 1 1 50 50 GLU N N 50 118.700 118.700 116.693 2.007 18049
5192 1 12 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.104 0.191 18049
5193 1 12 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.496 -3.156 18049
5194 1 12 . 1 1 50 50 GLU CB C 50 28.500 28.500 28.720 -0.220 18049
5195 1 12 . 1 1 50 50 GLU H H 50 8.226 8.226 8.433 -0.207 18049
5196 1 12 . 1 1 51 51 VAL N N 51 118.593 118.593 115.473 3.120 18049
5197 1 12 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.011 0.262 18049
5198 1 12 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.203 -3.822 18049
5199 1 12 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.946 -1.696 18049
5200 1 12 . 1 1 51 51 VAL H H 51 8.216 8.216 7.988 0.228 18049
5201 1 12 . 1 1 52 52 GLY N N 52 110.908 110.908 108.583 2.325 18049
5202 1 12 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.250 -2.560 18049
5203 1 12 . 1 1 52 52 GLY H H 52 8.630 8.630 8.503 0.127 18049
5204 1 12 . 1 1 53 53 HIS N N 53 113.633 113.633 117.439 -3.806 18049
5205 1 12 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.677 -0.087 18049
5206 1 12 . 1 1 53 53 HIS CA C 53 52.450 52.450 53.085 -0.635 18049
5207 1 12 . 1 1 53 53 HIS CB C 53 28.040 28.040 30.272 -2.232 18049
5208 1 12 . 1 1 53 53 HIS H H 53 6.855 6.855 7.372 -0.517 18049
5209 1 12 . 1 1 54 54 TYR N N 54 115.154 115.154 122.881 -7.727 18049
5210 1 12 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.214 -0.044 18049
5211 1 12 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.945 -4.145 18049
5212 1 12 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.638 -2.009 18049
5213 1 12 . 1 1 54 54 TYR H H 54 8.054 8.054 8.519 -0.465 18049
5214 1 12 . 1 1 55 55 ARG N N 55 126.509 126.509 125.002 1.507 18049
5215 1 12 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.637 -0.038 18049
5216 1 12 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.857 -1.034 18049
5217 1 12 . 1 1 55 55 ARG CB C 55 26.221 26.221 27.737 -1.516 18049
5218 1 12 . 1 1 55 55 ARG H H 55 8.490 8.490 8.616 -0.126 18049
5219 1 12 . 1 1 56 56 SER N N 56 116.450 116.450 111.128 5.322 18049
5220 1 12 . 1 1 56 56 SER CA C 56 56.523 56.523 59.903 -3.380 18049
5221 1 12 . 1 1 56 56 SER CB C 56 62.261 62.261 61.742 0.519 18049
5222 1 12 . 1 1 56 56 SER H H 56 8.247 8.247 8.201 0.046 18049
5223 1 12 . 1 1 57 57 GLN N N 57 124.678 124.678 116.207 8.471 18049
5224 1 12 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.482 -0.308 18049
5225 1 12 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.570 -1.960 18049
5226 1 12 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.293 -4.233 18049
5227 1 12 . 1 1 57 57 GLN H H 57 8.702 8.702 8.210 0.492 18049
5228 1 12 . 1 1 58 58 CYS N N 58 126.577 126.577 119.066 7.511 18049
5229 1 12 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.178 0.238 18049
5230 1 12 . 1 1 58 58 CYS CA C 58 55.001 55.001 61.605 -6.604 18049
5231 1 12 . 1 1 58 58 CYS CB C 58 31.080 31.080 25.454 5.626 18049
5232 1 12 . 1 1 58 58 CYS H H 58 7.694 7.694 8.816 -1.122 18049
5233 1 12 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.250 2.541 18049
5234 1 12 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.895 -2.485 18049
5235 1 12 . 1 1 63 63 LYS N N 63 121.641 121.641 123.649 -2.008 18049
5236 1 12 . 1 1 63 63 LYS CA C 63 52.372 52.372 55.957 -3.585 18049
5237 1 12 . 1 1 63 63 LYS CB C 63 27.792 27.792 33.256 -5.464 18049
5238 1 12 . 1 1 63 63 LYS H H 63 8.033 8.033 8.436 -0.403 18049
5239 1 12 . 1 1 64 64 LYS N N 64 111.775 111.775 119.230 -7.455 18049
5240 1 12 . 1 1 64 64 LYS CA C 64 53.743 53.743 57.820 -4.077 18049
5241 1 12 . 1 1 64 64 LYS H H 64 8.104 8.104 8.251 -0.147 18049
5242 1 12 . 1 1 65 65 VAL N N 65 122.037 122.037 116.325 5.712 18049
5243 1 12 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.366 -0.326 18049
5244 1 12 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.235 -1.945 18049
5245 1 12 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.800 -4.389 18049
5246 1 12 . 1 1 65 65 VAL H H 65 8.306 8.306 7.487 0.819 18049
5247 1 12 . 1 1 66 66 GLN N N 66 121.994 121.994 126.599 -4.605 18049
5248 1 12 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.563 -3.960 18049
5249 1 12 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.339 1.961 18049
5250 1 12 . 1 1 66 66 GLN H H 66 8.360 8.360 9.161 -0.801 18049
5251 1 12 . 1 1 67 67 CYS N N 67 121.582 121.582 117.448 4.134 18049
5252 1 12 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.824 -0.785 18049
5253 1 12 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.264 0.951 18049
5254 1 12 . 1 1 67 67 CYS CB C 67 30.532 30.532 28.591 1.940 18049
5255 1 12 . 1 1 67 67 CYS H H 67 8.032 8.032 7.896 0.136 18049
5256 1 12 . 1 1 68 68 THR HA H 68 4.046 4.046 3.982 0.064 18049
5257 1 12 . 1 1 68 68 THR CA C 68 61.228 61.228 64.887 -3.659 18049
5258 1 12 . 1 1 68 68 THR CB C 68 65.371 65.371 68.506 -3.135 18049
5259 1 12 . 1 1 69 69 LEU N N 69 124.335 124.335 117.950 6.385 18049
5260 1 12 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.620 -0.238 18049
5261 1 12 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.984 -1.555 18049
5262 1 12 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.959 -2.169 18049
5263 1 12 . 1 1 69 69 LEU H H 69 9.024 9.024 7.839 1.185 18049
5264 1 12 . 1 1 70 70 CYS N N 70 118.876 118.876 119.136 -0.260 18049
5265 1 12 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.510 -0.174 18049
5266 1 12 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.605 -5.460 18049
5267 1 12 . 1 1 70 70 CYS CB C 70 29.863 29.863 27.792 2.071 18049
5268 1 12 . 1 1 70 70 CYS H H 70 8.716 8.716 7.860 0.856 18049
5269 1 12 . 1 1 71 71 LYS N N 71 122.961 122.961 120.683 2.278 18049
5270 1 12 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.295 -0.128 18049
5271 1 12 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.685 -2.850 18049
5272 1 12 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.041 0.479 18049
5273 1 12 . 1 1 71 71 LYS H H 71 8.505 8.505 8.139 0.366 18049
5274 1 12 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.421 -1.183 18049
5275 1 12 . 1 1 74 74 LYS CB C 74 31.243 31.243 31.600 -0.357 18049
5276 1 12 . 1 1 75 75 HIS N N 75 111.915 111.915 121.011 -9.096 18049
5277 1 12 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.741 -0.281 18049
5278 1 12 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.786 -3.531 18049
5279 1 12 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.559 -1.859 18049
5280 1 12 . 1 1 75 75 HIS H H 75 6.732 6.732 8.325 -1.593 18049
5281 1 12 . 1 1 78 78 GLU N N 78 118.980 118.980 119.591 -0.611 18049
5282 1 12 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.891 0.119 18049
5283 1 12 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.552 -1.072 18049
5284 1 12 . 1 1 78 78 GLU CB C 78 34.350 34.350 27.500 6.850 18049
5285 1 12 . 1 1 78 78 GLU H H 78 8.831 8.831 8.972 -0.141 18049
5286 1 12 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.435 -0.155 18049
5287 1 12 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.249 -2.737 18049
5288 1 12 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.210 -2.696 18049
5289 1 12 . 1 1 82 82 SER N N 82 116.172 116.172 113.567 2.605 18049
5290 1 12 . 1 1 82 82 SER HA H 82 4.105 4.105 4.492 -0.387 18049
5291 1 12 . 1 1 82 82 SER CA C 82 58.317 58.317 58.166 0.151 18049
5292 1 12 . 1 1 82 82 SER CB C 82 60.104 60.104 63.397 -3.293 18049
5293 1 12 . 1 1 82 82 SER H H 82 8.684 8.684 8.064 0.620 18049
5294 1 12 . 1 1 83 83 ILE N N 83 118.847 118.847 123.684 -4.837 18049
5295 1 12 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.878 -1.710 18049
5296 1 12 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.902 -0.420 18049
5297 1 12 . 1 1 83 83 ILE H H 83 7.424 7.424 7.404 0.020 18049
5298 1 12 . 1 1 84 84 TRP N N 84 115.140 115.140 127.711 -12.571 18049
5299 1 12 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.090 -1.497 18049
5300 1 12 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.623 -3.755 18049
5301 1 12 . 1 1 84 84 TRP H H 84 8.131 8.131 7.592 0.539 18049
5302 1 12 . 1 1 85 85 ARG N N 85 118.936 118.936 122.572 -3.636 18049
5303 1 12 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.413 -5.195 18049
5304 1 12 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.657 -1.327 18049
5305 1 12 . 1 1 85 85 ARG H H 85 7.884 7.884 8.534 -0.650 18049
5306 1 12 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.565 -0.595 18049
5307 1 12 . 1 1 86 86 ALA CA C 86 50.020 50.020 50.965 -0.945 18049
5308 1 12 . 1 1 86 86 ALA CB C 86 16.400 16.400 20.195 -3.795 18049
5309 1 12 . 1 1 87 87 TYR N N 87 117.965 117.965 118.443 -0.478 18049
5310 1 12 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.279 0.177 18049
5311 1 12 . 1 1 87 87 TYR CA C 87 54.928 54.928 60.369 -5.441 18049
5312 1 12 . 1 1 87 87 TYR CB C 87 40.012 40.012 37.495 2.517 18049
5313 1 12 . 1 1 87 87 TYR H H 87 7.733 7.733 8.651 -0.918 18049
5314 1 12 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.381 1.260 18049
5315 1 12 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.717 -5.918 18049
5316 1 12 . 1 1 90 90 VAL N N 90 118.969 118.969 121.600 -2.631 18049
5317 1 12 . 1 1 90 90 VAL CA C 90 59.110 59.110 64.936 -5.826 18049
5318 1 12 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.021 -1.894 18049
5319 1 12 . 1 1 90 90 VAL H H 90 8.944 8.944 7.561 1.383 18049
5320 1 12 . 1 1 91 91 ASP N N 91 127.947 127.947 119.666 8.281 18049
5321 1 12 . 1 1 91 91 ASP CA C 91 49.968 49.968 55.419 -5.451 18049
5322 1 12 . 1 1 91 91 ASP CB C 91 38.862 38.862 40.172 -1.310 18049
5323 1 12 . 1 1 91 91 ASP H H 91 8.320 8.320 8.629 -0.309 18049
5324 1 12 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.570 -1.552 18049
5325 1 12 . 1 1 92 92 ASP CB C 92 38.447 38.447 43.840 -5.393 18049
5326 1 12 . 1 1 93 93 ASN N N 93 118.727 118.727 120.949 -2.222 18049
5327 1 12 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.434 -2.280 18049
5328 1 12 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.544 -3.173 18049
5329 1 12 . 1 1 93 93 ASN H H 93 8.396 8.396 8.538 -0.142 18049
5330 1 12 . 1 1 94 94 GLU N N 94 120.824 120.824 122.287 -1.463 18049
5331 1 12 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.737 -1.348 18049
5332 1 12 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.056 -3.786 18049
5333 1 12 . 1 1 94 94 GLU H H 94 8.266 8.266 8.521 -0.255 18049
5334 1 12 . 1 1 95 95 LYS N N 95 121.079 121.079 121.720 -0.641 18049
5335 1 12 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.332 -0.176 18049
5336 1 12 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.675 -2.834 18049
5337 1 12 . 1 1 95 95 LYS CB C 95 30.173 30.173 32.742 -2.569 18049
5338 1 12 . 1 1 95 95 LYS H H 95 8.055 8.055 8.656 -0.601 18049
5339 1 12 . 1 1 96 96 ALA N N 96 124.103 124.103 126.668 -2.565 18049
5340 1 12 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.466 -0.264 18049
5341 1 12 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.095 -2.368 18049
5342 1 12 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.399 -2.647 18049
5343 1 12 . 1 1 96 96 ALA H H 96 8.053 8.053 8.564 -0.511 18049
5344 1 12 . 1 1 97 97 LYS N N 97 121.893 121.893 121.196 0.697 18049
5345 1 12 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.750 0.135 18049
5346 1 12 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.594 -3.135 18049
5347 1 12 . 1 1 97 97 LYS H H 97 8.091 8.091 8.228 -0.137 18049
5348 1 12 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.528 -0.092 18049
5349 1 12 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.996 -2.971 18049
5350 1 12 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.412 -2.870 18049
5351 1 12 . 1 1 99 99 LYS N N 99 121.497 121.497 120.124 1.373 18049
5352 1 12 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.516 -0.151 18049
5353 1 12 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.282 -2.623 18049
5354 1 12 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.717 -1.744 18049
5355 1 12 . 1 1 99 99 LYS H H 99 8.241 8.241 8.085 0.156 18049
5356 1 12 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.381 -0.114 18049
5357 1 12 . 1 1 102 102 PRO CA C 102 61.403 61.403 64.510 -3.107 18049
5358 1 12 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.010 -2.553 18049
5359 1 12 . 1 1 103 103 PHE N N 103 118.755 118.755 119.751 -0.996 18049
5360 1 12 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.230 -1.171 18049
5361 1 12 . 1 1 103 103 PHE H H 103 8.675 8.675 7.751 0.924 18049
5362 1 12 . 1 1 105 105 THR HA H 105 4.630 4.630 4.453 0.177 18049
5363 1 12 . 1 1 105 105 THR CA C 105 59.356 59.356 60.030 -0.674 18049
5364 1 12 . 1 1 105 105 THR CB C 105 67.299 67.299 69.894 -2.595 18049
5365 1 12 . 1 1 106 106 ILE N N 106 124.035 124.035 122.189 1.846 18049
5366 1 12 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.381 0.250 18049
5367 1 12 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.821 -3.091 18049
5368 1 12 . 1 1 106 106 ILE CB C 106 36.907 36.907 40.026 -3.119 18049
5369 1 12 . 1 1 106 106 ILE H H 106 7.833 7.833 8.363 -0.530 18049
5370 1 12 . 1 1 107 107 TYR N N 107 118.339 118.339 128.523 -10.184 18049
5371 1 12 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.581 -0.041 18049
5372 1 12 . 1 1 107 107 TYR CA C 107 55.828 55.828 59.948 -4.120 18049
5373 1 12 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.374 -3.134 18049
5374 1 12 . 1 1 107 107 TYR H H 107 8.925 8.925 9.005 -0.080 18049
5375 1 12 . 1 1 108 108 CYS N N 108 130.380 130.380 120.509 9.871 18049
5376 1 12 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.458 -0.338 18049
5377 1 12 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.417 -2.467 18049
5378 1 12 . 1 1 108 108 CYS CB C 108 27.900 27.900 27.870 0.030 18049
5379 1 12 . 1 1 108 108 CYS H H 108 8.335 8.335 8.511 -0.176 18049
5380 1 12 . 1 1 109 109 TYR N N 109 126.618 126.618 128.285 -1.667 18049
5381 1 12 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.286 0.114 18049
5382 1 12 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.484 -4.214 18049
5383 1 12 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.707 -4.207 18049
5384 1 12 . 1 1 109 109 TYR H H 109 8.011 8.011 8.915 -0.904 18049
5385 1 12 . 1 1 110 110 ASN N N 110 125.398 125.398 114.537 10.861 18049
5386 1 12 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.590 0.212 18049
5387 1 12 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.827 -1.258 18049
5388 1 12 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.999 -2.077 18049
5389 1 12 . 1 1 110 110 ASN H H 110 9.284 9.284 8.260 1.024 18049
5390 1 12 . 1 1 111 111 CYS N N 111 118.921 118.921 113.011 5.910 18049
5391 1 12 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.769 0.141 18049
5392 1 12 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.449 -2.463 18049
5393 1 12 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.783 0.389 18049
5394 1 12 . 1 1 111 111 CYS H H 111 9.171 9.171 7.604 1.567 18049
5395 1 12 . 1 1 112 112 GLY N N 112 114.064 114.064 110.317 3.747 18049
5396 1 12 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.406 -2.125 18049
5397 1 12 . 1 1 112 112 GLY H H 112 7.840 7.840 8.285 -0.445 18049
5398 1 12 . 1 1 113 113 GLY N N 113 112.541 112.541 107.755 4.786 18049
5399 1 12 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.649 -3.456 18049
5400 1 12 . 1 1 113 113 GLY H H 113 9.023 9.023 7.776 1.247 18049
5401 1 12 . 1 1 114 114 LYS N N 114 119.130 119.130 117.249 1.881 18049
5402 1 12 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.646 -0.386 18049
5403 1 12 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.444 -2.695 18049
5404 1 12 . 1 1 114 114 LYS CB C 114 31.680 31.680 34.132 -2.452 18049
5405 1 12 . 1 1 114 114 LYS H H 114 8.200 8.200 8.237 -0.037 18049
5406 1 12 . 1 1 115 115 GLY N N 115 108.864 108.864 107.849 1.015 18049
5407 1 12 . 1 1 115 115 GLY CA C 115 43.073 43.073 47.020 -3.947 18049
5408 1 12 . 1 1 115 115 GLY H H 115 8.501 8.501 9.015 -0.514 18049
5409 1 12 . 1 1 116 116 HIS N N 116 113.173 113.173 116.092 -2.919 18049
5410 1 12 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.606 -0.175 18049
5411 1 12 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.304 -1.904 18049
5412 1 12 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.212 -2.682 18049
5413 1 12 . 1 1 116 116 HIS H H 116 6.665 6.665 7.919 -1.254 18049
5414 1 12 . 1 1 117 117 PHE N N 117 116.353 116.353 120.646 -4.293 18049
5415 1 12 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.423 0.257 18049
5416 1 12 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.874 -2.790 18049
5417 1 12 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.710 1.554 18049
5418 1 12 . 1 1 117 117 PHE H H 117 8.529 8.529 8.665 -0.136 18049
5419 1 12 . 1 1 118 118 GLY N N 118 108.977 108.977 108.352 0.625 18049
5420 1 12 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.624 -1.263 18049
5421 1 12 . 1 1 118 118 GLY H H 118 8.870 8.870 7.576 1.294 18049
5422 1 12 . 1 1 119 119 ASP N N 119 117.997 117.997 119.567 -1.570 18049
5423 1 12 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.447 -0.103 18049
5424 1 12 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.666 -3.162 18049
5425 1 12 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.863 -3.053 18049
5426 1 12 . 1 1 119 119 ASP H H 119 7.892 7.892 8.260 -0.368 18049
5427 1 12 . 1 1 120 120 ASP N N 120 116.782 116.782 118.169 -1.387 18049
5428 1 12 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.789 0.066 18049
5429 1 12 . 1 1 120 120 ASP CA C 120 50.685 50.685 53.842 -3.157 18049
5430 1 12 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.336 -2.137 18049
5431 1 12 . 1 1 120 120 ASP H H 120 7.730 7.730 7.957 -0.227 18049
5432 1 12 . 1 1 121 121 CYS N N 121 125.836 125.836 121.095 4.741 18049
5433 1 12 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.523 0.257 18049
5434 1 12 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.571 -2.504 18049
5435 1 12 . 1 1 121 121 CYS CB C 121 28.200 28.200 29.589 -1.389 18049
5436 1 12 . 1 1 121 121 CYS H H 121 7.667 7.667 7.815 -0.148 18049
5437 1 13 . 1 1 3 3 ALA N N 3 125.353 125.353 123.143 2.210 18049
5438 1 13 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.503 -0.308 18049
5439 1 13 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.576 -1.998 18049
5440 1 13 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.028 -3.217 18049
5441 1 13 . 1 1 3 3 ALA H H 3 8.182 8.182 8.376 -0.194 18049
5442 1 13 . 1 1 4 4 ALA N N 4 124.707 124.707 128.969 -4.262 18049
5443 1 13 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.109 0.351 18049
5444 1 13 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.543 -5.783 18049
5445 1 13 . 1 1 4 4 ALA CB C 4 15.798 15.798 16.933 -1.135 18049
5446 1 13 . 1 1 4 4 ALA H H 4 8.151 8.151 8.704 -0.553 18049
5447 1 13 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.357 0.113 18049
5448 1 13 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.526 -4.206 18049
5449 1 13 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.700 -1.900 18049
5450 1 13 . 1 1 6 6 LYS N N 6 121.400 121.400 118.251 3.149 18049
5451 1 13 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.012 0.251 18049
5452 1 13 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.373 -5.743 18049
5453 1 13 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.837 0.163 18049
5454 1 13 . 1 1 6 6 LYS H H 6 8.230 8.230 8.759 -0.529 18049
5455 1 13 . 1 1 7 7 CYS N N 7 128.995 128.995 114.900 14.095 18049
5456 1 13 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.749 -0.635 18049
5457 1 13 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.452 -0.432 18049
5458 1 13 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.991 -3.272 18049
5459 1 13 . 1 1 7 7 CYS H H 7 8.354 8.354 8.263 0.091 18049
5460 1 13 . 1 1 8 8 ASN N N 8 127.325 127.325 121.194 6.131 18049
5461 1 13 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.469 0.236 18049
5462 1 13 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.706 -3.796 18049
5463 1 13 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.551 -2.621 18049
5464 1 13 . 1 1 8 8 ASN H H 8 8.659 8.659 9.019 -0.360 18049
5465 1 13 . 1 1 9 9 ASN N N 9 122.394 122.394 117.052 5.342 18049
5466 1 13 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.681 0.118 18049
5467 1 13 . 1 1 9 9 ASN CA C 9 53.312 53.312 52.969 0.343 18049
5468 1 13 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.109 -1.234 18049
5469 1 13 . 1 1 9 9 ASN H H 9 9.861 9.861 8.212 1.649 18049
5470 1 13 . 1 1 10 10 CYS N N 10 117.508 117.508 119.317 -1.809 18049
5471 1 13 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.880 -0.175 18049
5472 1 13 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.222 -1.872 18049
5473 1 13 . 1 1 10 10 CYS CB C 10 29.540 29.540 30.656 -1.116 18049
5474 1 13 . 1 1 10 10 CYS H H 10 8.814 8.814 8.078 0.736 18049
5475 1 13 . 1 1 11 11 SER N N 11 115.934 115.934 114.952 0.982 18049
5476 1 13 . 1 1 11 11 SER HA H 11 4.150 4.150 4.595 -0.445 18049
5477 1 13 . 1 1 11 11 SER CA C 11 58.769 58.769 57.866 0.903 18049
5478 1 13 . 1 1 11 11 SER CB C 11 59.635 59.635 62.806 -3.171 18049
5479 1 13 . 1 1 11 11 SER H H 11 7.821 7.821 8.414 -0.593 18049
5480 1 13 . 1 1 12 12 GLN N N 12 120.325 120.325 121.585 -1.260 18049
5481 1 13 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.503 -0.142 18049
5482 1 13 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.098 -2.228 18049
5483 1 13 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.513 -2.600 18049
5484 1 13 . 1 1 12 12 GLN H H 12 8.311 8.311 7.859 0.452 18049
5485 1 13 . 1 1 13 13 ARG N N 13 118.657 118.657 123.371 -4.714 18049
5486 1 13 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.177 0.191 18049
5487 1 13 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.987 -3.957 18049
5488 1 13 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.537 1.763 18049
5489 1 13 . 1 1 13 13 ARG H H 13 8.430 8.430 8.567 -0.137 18049
5490 1 13 . 1 1 14 14 GLY N N 14 107.015 107.015 108.757 -1.742 18049
5491 1 13 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.483 -2.753 18049
5492 1 13 . 1 1 14 14 GLY H H 14 8.706 8.706 8.922 -0.216 18049
5493 1 13 . 1 1 15 15 HIS N N 15 113.397 113.397 116.491 -3.094 18049
5494 1 13 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.800 -0.200 18049
5495 1 13 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.373 -0.937 18049
5496 1 13 . 1 1 15 15 HIS CB C 15 27.887 27.887 30.407 -2.520 18049
5497 1 13 . 1 1 15 15 HIS H H 15 6.998 6.998 7.978 -0.980 18049
5498 1 13 . 1 1 16 16 LEU N N 16 117.239 117.239 118.535 -1.296 18049
5499 1 13 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.444 0.141 18049
5500 1 13 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.605 -4.076 18049
5501 1 13 . 1 1 16 16 LEU CB C 16 42.196 42.196 43.043 -0.847 18049
5502 1 13 . 1 1 16 16 LEU H H 16 8.614 8.614 8.140 0.474 18049
5503 1 13 . 1 1 17 17 LYS N N 17 122.561 122.561 121.571 0.990 18049
5504 1 13 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.932 0.848 18049
5505 1 13 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.277 -1.513 18049
5506 1 13 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.627 -1.826 18049
5507 1 13 . 1 1 17 17 LYS H H 17 8.681 8.681 8.853 -0.172 18049
5508 1 13 . 1 1 18 18 LYS N N 18 117.626 117.626 115.204 2.422 18049
5509 1 13 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.194 -0.090 18049
5510 1 13 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.108 -2.289 18049
5511 1 13 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.271 -3.516 18049
5512 1 13 . 1 1 18 18 LYS H H 18 8.320 8.320 8.185 0.135 18049
5513 1 13 . 1 1 19 19 ASP N N 19 118.071 118.071 120.424 -2.353 18049
5514 1 13 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.911 -0.061 18049
5515 1 13 . 1 1 19 19 ASP CA C 19 50.832 50.832 56.158 -5.326 18049
5516 1 13 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.164 -2.264 18049
5517 1 13 . 1 1 19 19 ASP H H 19 7.770 7.770 8.107 -0.337 18049
5518 1 13 . 1 1 20 20 CYS N N 20 123.265 123.265 121.118 2.147 18049
5519 1 13 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.059 -0.357 18049
5520 1 13 . 1 1 20 20 CYS CA C 20 59.556 59.556 63.433 -3.877 18049
5521 1 13 . 1 1 20 20 CYS CB C 20 28.496 28.496 26.427 2.069 18049
5522 1 13 . 1 1 20 20 CYS H H 20 7.275 7.275 8.351 -1.076 18049
5523 1 13 . 1 1 21 21 PRO CA C 21 58.900 58.900 64.870 -5.970 18049
5524 1 13 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.006 -0.286 18049
5525 1 13 . 1 1 22 22 HIS N N 22 121.576 121.576 116.953 4.623 18049
5526 1 13 . 1 1 22 22 HIS CA C 22 52.484 52.484 58.936 -6.452 18049
5527 1 13 . 1 1 22 22 HIS CB C 22 27.833 27.833 29.138 -1.305 18049
5528 1 13 . 1 1 22 22 HIS H H 22 7.882 7.882 7.391 0.491 18049
5529 1 13 . 1 1 23 23 ILE N N 23 117.100 117.100 118.744 -1.644 18049
5530 1 13 . 1 1 23 23 ILE HA H 23 4.170 4.170 3.974 0.196 18049
5531 1 13 . 1 1 23 23 ILE CA C 23 57.420 57.420 62.442 -5.022 18049
5532 1 13 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.763 -1.783 18049
5533 1 13 . 1 1 23 23 ILE H H 23 8.660 8.660 7.396 1.264 18049
5534 1 13 . 1 1 24 24 ILE N N 24 126.524 126.524 120.141 6.383 18049
5535 1 13 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.175 -0.225 18049
5536 1 13 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.949 -3.259 18049
5537 1 13 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.561 -1.385 18049
5538 1 13 . 1 1 24 24 ILE H H 24 8.486 8.486 7.535 0.951 18049
5539 1 13 . 1 1 25 25 CYS CA C 25 56.014 56.014 57.426 -1.413 18049
5540 1 13 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.757 -1.484 18049
5541 1 13 . 1 1 26 26 SER N N 26 127.811 127.811 121.207 6.604 18049
5542 1 13 . 1 1 26 26 SER HA H 26 4.050 4.050 4.138 -0.088 18049
5543 1 13 . 1 1 26 26 SER CA C 26 58.170 58.170 58.939 -0.769 18049
5544 1 13 . 1 1 26 26 SER CB C 26 60.523 60.523 63.026 -2.503 18049
5545 1 13 . 1 1 26 26 SER H H 26 9.491 9.491 8.281 1.210 18049
5546 1 13 . 1 1 27 27 TYR N N 27 124.378 124.378 119.827 4.551 18049
5547 1 13 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.092 0.433 18049
5548 1 13 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.810 -1.920 18049
5549 1 13 . 1 1 27 27 TYR CB C 27 37.093 37.093 35.993 1.100 18049
5550 1 13 . 1 1 27 27 TYR H H 27 9.389 9.389 8.551 0.838 18049
5551 1 13 . 1 1 28 28 CYS N N 28 126.900 126.900 120.860 6.040 18049
5552 1 13 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.614 -2.693 18049
5553 1 13 . 1 1 28 28 CYS CB C 28 30.198 30.198 26.327 3.871 18049
5554 1 13 . 1 1 28 28 CYS H H 28 8.490 8.490 7.747 0.743 18049
5555 1 13 . 1 1 29 29 GLY N N 29 113.271 113.271 107.645 5.626 18049
5556 1 13 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.682 -1.334 18049
5557 1 13 . 1 1 29 29 GLY H H 29 7.792 7.792 7.365 0.427 18049
5558 1 13 . 1 1 30 30 ALA N N 30 124.805 124.805 120.816 3.989 18049
5559 1 13 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.784 -0.665 18049
5560 1 13 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.729 0.411 18049
5561 1 13 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.126 -3.406 18049
5562 1 13 . 1 1 30 30 ALA H H 30 8.541 8.541 8.355 0.186 18049
5563 1 13 . 1 1 31 31 THR N N 31 118.352 118.352 115.280 3.072 18049
5564 1 13 . 1 1 31 31 THR CA C 31 58.082 58.082 64.388 -6.306 18049
5565 1 13 . 1 1 31 31 THR CB C 31 67.072 67.072 68.816 -1.744 18049
5566 1 13 . 1 1 31 31 THR H H 31 8.544 8.544 8.507 0.037 18049
5567 1 13 . 1 1 32 32 ASP N N 32 123.222 123.222 118.386 4.836 18049
5568 1 13 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.716 -0.673 18049
5569 1 13 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.777 -1.628 18049
5570 1 13 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.330 -4.883 18049
5571 1 13 . 1 1 32 32 ASP H H 32 9.768 9.768 8.112 1.656 18049
5572 1 13 . 1 1 33 33 ASP N N 33 116.889 116.889 118.911 -2.022 18049
5573 1 13 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.937 -1.617 18049
5574 1 13 . 1 1 33 33 ASP CB C 33 43.190 43.190 43.365 -0.175 18049
5575 1 13 . 1 1 33 33 ASP H H 33 8.111 8.111 8.043 0.068 18049
5576 1 13 . 1 1 34 34 HIS N N 34 110.849 110.849 120.685 -9.836 18049
5577 1 13 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.035 -3.845 18049
5578 1 13 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.973 6.797 18049
5579 1 13 . 1 1 34 34 HIS H H 34 6.959 6.959 8.089 -1.130 18049
5580 1 13 . 1 1 35 35 TYR N N 35 117.529 117.529 123.630 -6.101 18049
5581 1 13 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.764 -2.627 18049
5582 1 13 . 1 1 35 35 TYR CB C 35 37.567 37.567 42.036 -4.469 18049
5583 1 13 . 1 1 35 35 TYR H H 35 8.813 8.813 7.844 0.969 18049
5584 1 13 . 1 1 36 36 SER N N 36 121.984 121.984 118.303 3.681 18049
5585 1 13 . 1 1 36 36 SER CA C 36 57.520 57.520 60.337 -2.817 18049
5586 1 13 . 1 1 36 36 SER CB C 36 59.800 59.800 63.250 -3.450 18049
5587 1 13 . 1 1 36 36 SER H H 36 8.518 8.518 7.842 0.676 18049
5588 1 13 . 1 1 37 37 ARG N N 37 119.707 119.707 119.131 0.576 18049
5589 1 13 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.340 -5.669 18049
5590 1 13 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.375 -3.282 18049
5591 1 13 . 1 1 37 37 ARG H H 37 7.963 7.963 7.954 0.009 18049
5592 1 13 . 1 1 38 38 HIS N N 38 125.394 125.394 119.424 5.970 18049
5593 1 13 . 1 1 38 38 HIS CA C 38 56.276 56.276 56.042 0.234 18049
5594 1 13 . 1 1 38 38 HIS H H 38 7.443 7.443 7.539 -0.096 18049
5595 1 13 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.083 0.367 18049
5596 1 13 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.437 -11.757 18049
5597 1 13 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.726 1.514 18049
5598 1 13 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.336 -0.026 18049
5599 1 13 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.405 -3.965 18049
5600 1 13 . 1 1 40 40 PRO CB C 40 30.300 30.300 32.008 -1.708 18049
5601 1 13 . 1 1 41 41 LYS N N 41 121.400 121.400 120.481 0.919 18049
5602 1 13 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.296 -0.217 18049
5603 1 13 . 1 1 41 41 LYS CA C 41 53.680 53.680 56.201 -2.521 18049
5604 1 13 . 1 1 41 41 LYS CB C 41 29.641 29.641 32.218 -2.577 18049
5605 1 13 . 1 1 41 41 LYS H H 41 8.650 8.650 7.841 0.809 18049
5606 1 13 . 1 1 42 42 ALA N N 42 122.096 122.096 125.072 -2.976 18049
5607 1 13 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.976 -1.457 18049
5608 1 13 . 1 1 42 42 ALA CA C 42 49.591 49.591 51.083 -1.492 18049
5609 1 13 . 1 1 42 42 ALA CB C 42 16.456 16.456 21.609 -5.153 18049
5610 1 13 . 1 1 42 42 ALA H H 42 7.201 7.201 8.179 -0.978 18049
5611 1 13 . 1 1 43 43 ILE N N 43 119.646 119.646 121.900 -2.254 18049
5612 1 13 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.129 -0.398 18049
5613 1 13 . 1 1 43 43 ILE CA C 43 57.966 57.966 61.504 -3.538 18049
5614 1 13 . 1 1 43 43 ILE CB C 43 35.977 35.977 35.886 0.091 18049
5615 1 13 . 1 1 43 43 ILE H H 43 7.086 7.086 8.032 -0.946 18049
5616 1 13 . 1 1 44 44 GLN N N 44 125.541 125.541 126.180 -0.639 18049
5617 1 13 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.851 -0.419 18049
5618 1 13 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.942 -2.206 18049
5619 1 13 . 1 1 44 44 GLN CB C 44 28.084 28.084 32.006 -3.922 18049
5620 1 13 . 1 1 44 44 GLN H H 44 7.980 7.980 8.170 -0.190 18049
5621 1 13 . 1 1 45 45 CYS N N 45 130.678 130.678 119.323 11.355 18049
5622 1 13 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.366 -0.246 18049
5623 1 13 . 1 1 45 45 CYS CA C 45 57.330 57.330 60.518 -3.188 18049
5624 1 13 . 1 1 45 45 CYS CB C 45 28.000 28.000 27.967 0.033 18049
5625 1 13 . 1 1 45 45 CYS H H 45 8.353 8.353 8.905 -0.552 18049
5626 1 13 . 1 1 46 46 SER N N 46 124.273 124.273 114.399 9.874 18049
5627 1 13 . 1 1 46 46 SER HA H 46 4.334 4.334 4.041 0.293 18049
5628 1 13 . 1 1 46 46 SER CA C 46 56.923 56.923 60.447 -3.524 18049
5629 1 13 . 1 1 46 46 SER CB C 46 60.400 60.400 62.085 -1.685 18049
5630 1 13 . 1 1 46 46 SER H H 46 8.466 8.466 8.870 -0.404 18049
5631 1 13 . 1 1 47 47 LYS N N 47 127.929 127.929 119.138 8.791 18049
5632 1 13 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.498 -0.138 18049
5633 1 13 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.724 -0.404 18049
5634 1 13 . 1 1 47 47 LYS CB C 47 31.300 31.300 35.154 -3.854 18049
5635 1 13 . 1 1 47 47 LYS H H 47 9.720 9.720 7.845 1.875 18049
5636 1 13 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.754 -0.164 18049
5637 1 13 . 1 1 48 48 CYS CA C 48 51.500 51.500 58.022 -6.522 18049
5638 1 13 . 1 1 48 48 CYS CB C 48 28.100 28.100 27.973 0.127 18049
5639 1 13 . 1 1 48 48 CYS H H 48 8.600 8.600 8.081 0.519 18049
5640 1 13 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.281 0.429 18049
5641 1 13 . 1 1 49 49 ASP CA C 49 54.300 54.300 56.268 -1.968 18049
5642 1 13 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.523 0.677 18049
5643 1 13 . 1 1 49 49 ASP H H 49 8.830 8.830 8.202 0.628 18049
5644 1 13 . 1 1 50 50 GLU N N 50 118.700 118.700 120.645 -1.945 18049
5645 1 13 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.236 0.059 18049
5646 1 13 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.576 -3.236 18049
5647 1 13 . 1 1 50 50 GLU CB C 50 28.500 28.500 30.032 -1.532 18049
5648 1 13 . 1 1 50 50 GLU H H 50 8.226 8.226 8.573 -0.347 18049
5649 1 13 . 1 1 51 51 VAL N N 51 118.593 118.593 120.906 -2.313 18049
5650 1 13 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.880 0.393 18049
5651 1 13 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.571 -5.191 18049
5652 1 13 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.649 -1.399 18049
5653 1 13 . 1 1 51 51 VAL H H 51 8.216 8.216 8.347 -0.131 18049
5654 1 13 . 1 1 52 52 GLY N N 52 110.908 110.908 106.825 4.083 18049
5655 1 13 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.675 -2.985 18049
5656 1 13 . 1 1 52 52 GLY H H 52 8.630 8.630 8.458 0.172 18049
5657 1 13 . 1 1 53 53 HIS N N 53 113.633 113.633 117.842 -4.209 18049
5658 1 13 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.270 0.320 18049
5659 1 13 . 1 1 53 53 HIS CA C 53 52.450 52.450 56.739 -4.289 18049
5660 1 13 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.787 -1.747 18049
5661 1 13 . 1 1 53 53 HIS H H 53 6.855 6.855 7.118 -0.263 18049
5662 1 13 . 1 1 54 54 TYR N N 54 115.154 115.154 118.452 -3.298 18049
5663 1 13 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.664 -0.494 18049
5664 1 13 . 1 1 54 54 TYR CA C 54 53.800 53.800 55.987 -2.187 18049
5665 1 13 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.660 -4.032 18049
5666 1 13 . 1 1 54 54 TYR H H 54 8.054 8.054 7.482 0.572 18049
5667 1 13 . 1 1 55 55 ARG N N 55 126.509 126.509 124.401 2.108 18049
5668 1 13 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.096 -0.497 18049
5669 1 13 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.996 -1.173 18049
5670 1 13 . 1 1 55 55 ARG CB C 55 26.221 26.221 30.527 -4.306 18049
5671 1 13 . 1 1 55 55 ARG H H 55 8.490 8.490 8.654 -0.164 18049
5672 1 13 . 1 1 56 56 SER N N 56 116.450 116.450 116.068 0.382 18049
5673 1 13 . 1 1 56 56 SER CA C 56 56.523 56.523 59.513 -2.990 18049
5674 1 13 . 1 1 56 56 SER CB C 56 62.261 62.261 61.703 0.558 18049
5675 1 13 . 1 1 56 56 SER H H 56 8.247 8.247 8.757 -0.510 18049
5676 1 13 . 1 1 57 57 GLN N N 57 124.678 124.678 113.314 11.364 18049
5677 1 13 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.005 0.169 18049
5678 1 13 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.567 -2.957 18049
5679 1 13 . 1 1 57 57 GLN CB C 57 27.060 27.060 26.735 0.325 18049
5680 1 13 . 1 1 57 57 GLN H H 57 8.702 8.702 8.278 0.424 18049
5681 1 13 . 1 1 58 58 CYS N N 58 126.577 126.577 114.959 11.618 18049
5682 1 13 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.227 0.189 18049
5683 1 13 . 1 1 58 58 CYS CA C 58 55.001 55.001 60.220 -5.219 18049
5684 1 13 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.468 3.612 18049
5685 1 13 . 1 1 58 58 CYS H H 58 7.694 7.694 8.003 -0.309 18049
5686 1 13 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.017 2.774 18049
5687 1 13 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.523 -3.112 18049
5688 1 13 . 1 1 63 63 LYS N N 63 121.641 121.641 121.600 0.041 18049
5689 1 13 . 1 1 63 63 LYS CA C 63 52.372 52.372 55.275 -2.903 18049
5690 1 13 . 1 1 63 63 LYS CB C 63 27.792 27.792 33.614 -5.822 18049
5691 1 13 . 1 1 63 63 LYS H H 63 8.033 8.033 7.181 0.852 18049
5692 1 13 . 1 1 64 64 LYS N N 64 111.775 111.775 121.425 -9.650 18049
5693 1 13 . 1 1 64 64 LYS CA C 64 53.743 53.743 57.514 -3.771 18049
5694 1 13 . 1 1 64 64 LYS H H 64 8.104 8.104 8.343 -0.239 18049
5695 1 13 . 1 1 65 65 VAL N N 65 122.037 122.037 118.373 3.664 18049
5696 1 13 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.064 -0.024 18049
5697 1 13 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.099 -1.809 18049
5698 1 13 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.386 -3.975 18049
5699 1 13 . 1 1 65 65 VAL H H 65 8.306 8.306 7.547 0.759 18049
5700 1 13 . 1 1 66 66 GLN N N 66 121.994 121.994 124.029 -2.035 18049
5701 1 13 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.012 -2.409 18049
5702 1 13 . 1 1 66 66 GLN CB C 66 30.300 30.300 27.766 2.534 18049
5703 1 13 . 1 1 66 66 GLN H H 66 8.360 8.360 8.400 -0.041 18049
5704 1 13 . 1 1 67 67 CYS N N 67 121.582 121.582 116.539 5.043 18049
5705 1 13 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.755 -0.716 18049
5706 1 13 . 1 1 67 67 CYS CA C 67 59.215 59.215 57.256 1.959 18049
5707 1 13 . 1 1 67 67 CYS CB C 67 30.532 30.532 29.931 0.601 18049
5708 1 13 . 1 1 67 67 CYS H H 67 8.032 8.032 7.136 0.896 18049
5709 1 13 . 1 1 68 68 THR HA H 68 4.046 4.046 4.265 -0.219 18049
5710 1 13 . 1 1 68 68 THR CA C 68 61.228 61.228 63.325 -2.097 18049
5711 1 13 . 1 1 68 68 THR CB C 68 65.371 65.371 69.329 -3.958 18049
5712 1 13 . 1 1 69 69 LEU N N 69 124.335 124.335 113.832 10.503 18049
5713 1 13 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.028 0.354 18049
5714 1 13 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.344 -1.915 18049
5715 1 13 . 1 1 69 69 LEU CB C 69 39.790 39.790 39.907 -0.117 18049
5716 1 13 . 1 1 69 69 LEU H H 69 9.024 9.024 8.344 0.680 18049
5717 1 13 . 1 1 70 70 CYS N N 70 118.876 118.876 119.265 -0.389 18049
5718 1 13 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.515 -0.179 18049
5719 1 13 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.785 -4.640 18049
5720 1 13 . 1 1 70 70 CYS CB C 70 29.863 29.863 30.639 -0.776 18049
5721 1 13 . 1 1 70 70 CYS H H 70 8.716 8.716 7.704 1.012 18049
5722 1 13 . 1 1 71 71 LYS N N 71 122.961 122.961 119.353 3.608 18049
5723 1 13 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.048 0.119 18049
5724 1 13 . 1 1 71 71 LYS CA C 71 53.835 53.835 57.857 -4.022 18049
5725 1 13 . 1 1 71 71 LYS CB C 71 33.520 33.520 30.428 3.092 18049
5726 1 13 . 1 1 71 71 LYS H H 71 8.505 8.505 9.068 -0.563 18049
5727 1 13 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.815 -0.577 18049
5728 1 13 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.840 -1.597 18049
5729 1 13 . 1 1 75 75 HIS N N 75 111.915 111.915 122.438 -10.523 18049
5730 1 13 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.547 -0.087 18049
5731 1 13 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.889 -3.634 18049
5732 1 13 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.273 -1.573 18049
5733 1 13 . 1 1 75 75 HIS H H 75 6.732 6.732 8.629 -1.897 18049
5734 1 13 . 1 1 78 78 GLU N N 78 118.980 118.980 114.591 4.389 18049
5735 1 13 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.246 -0.236 18049
5736 1 13 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.763 -1.283 18049
5737 1 13 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.177 5.173 18049
5738 1 13 . 1 1 78 78 GLU H H 78 8.831 8.831 8.513 0.318 18049
5739 1 13 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.381 -0.101 18049
5740 1 13 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.399 -2.887 18049
5741 1 13 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.954 -2.440 18049
5742 1 13 . 1 1 82 82 SER N N 82 116.172 116.172 111.139 5.033 18049
5743 1 13 . 1 1 82 82 SER HA H 82 4.105 4.105 4.536 -0.431 18049
5744 1 13 . 1 1 82 82 SER CA C 82 58.317 58.317 57.500 0.817 18049
5745 1 13 . 1 1 82 82 SER CB C 82 60.104 60.104 65.638 -5.534 18049
5746 1 13 . 1 1 82 82 SER H H 82 8.684 8.684 7.697 0.987 18049
5747 1 13 . 1 1 83 83 ILE N N 83 118.847 118.847 122.322 -3.475 18049
5748 1 13 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.297 -2.129 18049
5749 1 13 . 1 1 83 83 ILE CB C 83 38.482 38.482 40.366 -1.884 18049
5750 1 13 . 1 1 83 83 ILE H H 83 7.424 7.424 8.059 -0.635 18049
5751 1 13 . 1 1 84 84 TRP N N 84 115.140 115.140 123.436 -8.296 18049
5752 1 13 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.317 -2.724 18049
5753 1 13 . 1 1 84 84 TRP CB C 84 25.868 25.868 27.313 -1.445 18049
5754 1 13 . 1 1 84 84 TRP H H 84 8.131 8.131 8.256 -0.125 18049
5755 1 13 . 1 1 85 85 ARG N N 85 118.936 118.936 119.981 -1.045 18049
5756 1 13 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.977 -4.759 18049
5757 1 13 . 1 1 85 85 ARG CB C 85 29.330 29.330 31.021 -1.691 18049
5758 1 13 . 1 1 85 85 ARG H H 85 7.884 7.884 7.844 0.040 18049
5759 1 13 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.403 -0.433 18049
5760 1 13 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.540 -1.520 18049
5761 1 13 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.827 -3.427 18049
5762 1 13 . 1 1 87 87 TYR N N 87 117.965 117.965 121.176 -3.211 18049
5763 1 13 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.651 -0.195 18049
5764 1 13 . 1 1 87 87 TYR CA C 87 54.928 54.928 56.950 -2.022 18049
5765 1 13 . 1 1 87 87 TYR CB C 87 40.012 40.012 38.070 1.942 18049
5766 1 13 . 1 1 87 87 TYR H H 87 7.733 7.733 8.608 -0.875 18049
5767 1 13 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.020 1.621 18049
5768 1 13 . 1 1 89 89 LEU CB C 89 36.799 36.799 43.656 -6.857 18049
5769 1 13 . 1 1 90 90 VAL N N 90 118.969 118.969 122.789 -3.820 18049
5770 1 13 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.457 -2.347 18049
5771 1 13 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.735 -2.608 18049
5772 1 13 . 1 1 90 90 VAL H H 90 8.944 8.944 8.439 0.505 18049
5773 1 13 . 1 1 91 91 ASP N N 91 127.947 127.947 123.221 4.726 18049
5774 1 13 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.804 -3.836 18049
5775 1 13 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.346 -2.484 18049
5776 1 13 . 1 1 91 91 ASP H H 91 8.320 8.320 8.352 -0.032 18049
5777 1 13 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.008 -0.990 18049
5778 1 13 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.496 -4.049 18049
5779 1 13 . 1 1 93 93 ASN N N 93 118.727 118.727 117.484 1.243 18049
5780 1 13 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.731 -1.578 18049
5781 1 13 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.094 -2.724 18049
5782 1 13 . 1 1 93 93 ASN H H 93 8.396 8.396 8.438 -0.042 18049
5783 1 13 . 1 1 94 94 GLU N N 94 120.824 120.824 120.941 -0.117 18049
5784 1 13 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.919 -2.530 18049
5785 1 13 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.096 -2.826 18049
5786 1 13 . 1 1 94 94 GLU H H 94 8.266 8.266 7.984 0.282 18049
5787 1 13 . 1 1 95 95 LYS N N 95 121.079 121.079 127.872 -6.793 18049
5788 1 13 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.221 -0.065 18049
5789 1 13 . 1 1 95 95 LYS CA C 95 53.841 53.841 57.205 -3.364 18049
5790 1 13 . 1 1 95 95 LYS CB C 95 30.173 30.173 32.510 -2.337 18049
5791 1 13 . 1 1 95 95 LYS H H 95 8.055 8.055 8.733 -0.678 18049
5792 1 13 . 1 1 96 96 ALA N N 96 124.103 124.103 120.599 3.504 18049
5793 1 13 . 1 1 96 96 ALA HA H 96 4.202 4.202 3.990 0.212 18049
5794 1 13 . 1 1 96 96 ALA CA C 96 49.727 49.727 53.145 -3.418 18049
5795 1 13 . 1 1 96 96 ALA CB C 96 16.752 16.752 17.559 -0.807 18049
5796 1 13 . 1 1 96 96 ALA H H 96 8.053 8.053 8.137 -0.084 18049
5797 1 13 . 1 1 97 97 LYS N N 97 121.893 121.893 118.075 3.818 18049
5798 1 13 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.093 0.792 18049
5799 1 13 . 1 1 97 97 LYS CA C 97 51.459 51.459 56.243 -4.785 18049
5800 1 13 . 1 1 97 97 LYS H H 97 8.091 8.091 7.920 0.171 18049
5801 1 13 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.260 0.176 18049
5802 1 13 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.003 -2.978 18049
5803 1 13 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.729 -3.187 18049
5804 1 13 . 1 1 99 99 LYS N N 99 121.497 121.497 120.440 1.057 18049
5805 1 13 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.615 -0.250 18049
5806 1 13 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.398 -2.739 18049
5807 1 13 . 1 1 99 99 LYS CB C 99 31.973 31.973 35.466 -3.493 18049
5808 1 13 . 1 1 99 99 LYS H H 99 8.241 8.241 8.453 -0.212 18049
5809 1 13 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.390 -0.123 18049
5810 1 13 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.691 -1.288 18049
5811 1 13 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.253 -2.796 18049
5812 1 13 . 1 1 103 103 PHE N N 103 118.755 118.755 120.706 -1.951 18049
5813 1 13 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.016 -1.957 18049
5814 1 13 . 1 1 103 103 PHE H H 103 8.675 8.675 8.320 0.355 18049
5815 1 13 . 1 1 105 105 THR HA H 105 4.630 4.630 4.271 0.359 18049
5816 1 13 . 1 1 105 105 THR CA C 105 59.356 59.356 61.944 -2.588 18049
5817 1 13 . 1 1 105 105 THR CB C 105 67.299 67.299 69.343 -2.044 18049
5818 1 13 . 1 1 106 106 ILE N N 106 124.035 124.035 120.081 3.954 18049
5819 1 13 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.621 0.010 18049
5820 1 13 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.752 -3.022 18049
5821 1 13 . 1 1 106 106 ILE CB C 106 36.907 36.907 40.026 -3.119 18049
5822 1 13 . 1 1 106 106 ILE H H 106 7.833 7.833 7.424 0.409 18049
5823 1 13 . 1 1 107 107 TYR N N 107 118.339 118.339 120.654 -2.315 18049
5824 1 13 . 1 1 107 107 TYR HA H 107 4.540 4.540 5.167 -0.627 18049
5825 1 13 . 1 1 107 107 TYR CA C 107 55.828 55.828 55.700 0.128 18049
5826 1 13 . 1 1 107 107 TYR CB C 107 37.240 37.240 39.672 -2.432 18049
5827 1 13 . 1 1 107 107 TYR H H 107 8.925 8.925 8.293 0.632 18049
5828 1 13 . 1 1 108 108 CYS N N 108 130.380 130.380 122.276 8.104 18049
5829 1 13 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.555 -0.435 18049
5830 1 13 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.025 -1.075 18049
5831 1 13 . 1 1 108 108 CYS CB C 108 27.900 27.900 30.683 -2.783 18049
5832 1 13 . 1 1 108 108 CYS H H 108 8.335 8.335 8.196 0.139 18049
5833 1 13 . 1 1 109 109 TYR N N 109 126.618 126.618 122.586 4.032 18049
5834 1 13 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.578 -0.178 18049
5835 1 13 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.206 -2.936 18049
5836 1 13 . 1 1 109 109 TYR CB C 109 34.500 34.500 40.656 -6.156 18049
5837 1 13 . 1 1 109 109 TYR H H 109 8.011 8.011 8.548 -0.537 18049
5838 1 13 . 1 1 110 110 ASN N N 110 125.398 125.398 118.135 7.263 18049
5839 1 13 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.615 0.187 18049
5840 1 13 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.541 -0.972 18049
5841 1 13 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.132 -1.210 18049
5842 1 13 . 1 1 110 110 ASN H H 110 9.284 9.284 8.578 0.706 18049
5843 1 13 . 1 1 111 111 CYS N N 111 118.921 118.921 116.423 2.498 18049
5844 1 13 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.937 -0.027 18049
5845 1 13 . 1 1 111 111 CYS CA C 111 55.986 55.986 57.122 -1.136 18049
5846 1 13 . 1 1 111 111 CYS CB C 111 30.172 30.172 30.062 0.110 18049
5847 1 13 . 1 1 111 111 CYS H H 111 9.171 9.171 7.409 1.762 18049
5848 1 13 . 1 1 112 112 GLY N N 112 114.064 114.064 112.420 1.644 18049
5849 1 13 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.376 -2.095 18049
5850 1 13 . 1 1 112 112 GLY H H 112 7.840 7.840 8.372 -0.532 18049
5851 1 13 . 1 1 113 113 GLY N N 113 112.541 112.541 108.815 3.726 18049
5852 1 13 . 1 1 113 113 GLY CA C 113 41.193 41.193 45.384 -4.191 18049
5853 1 13 . 1 1 113 113 GLY H H 113 9.023 9.023 8.401 0.622 18049
5854 1 13 . 1 1 114 114 LYS N N 114 119.130 119.130 116.644 2.486 18049
5855 1 13 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.067 0.193 18049
5856 1 13 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.386 -4.636 18049
5857 1 13 . 1 1 114 114 LYS CB C 114 31.680 31.680 30.134 1.546 18049
5858 1 13 . 1 1 114 114 LYS H H 114 8.200 8.200 7.884 0.316 18049
5859 1 13 . 1 1 115 115 GLY N N 115 108.864 108.864 106.103 2.761 18049
5860 1 13 . 1 1 115 115 GLY CA C 115 43.073 43.073 44.939 -1.866 18049
5861 1 13 . 1 1 115 115 GLY H H 115 8.501 8.501 8.928 -0.427 18049
5862 1 13 . 1 1 116 116 HIS N N 116 113.173 113.173 116.231 -3.058 18049
5863 1 13 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.858 -0.427 18049
5864 1 13 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.941 -2.541 18049
5865 1 13 . 1 1 116 116 HIS CB C 116 27.530 27.530 32.064 -4.534 18049
5866 1 13 . 1 1 116 116 HIS H H 116 6.665 6.665 7.277 -0.612 18049
5867 1 13 . 1 1 117 117 PHE N N 117 116.353 116.353 120.245 -3.892 18049
5868 1 13 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.165 0.515 18049
5869 1 13 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.368 -4.284 18049
5870 1 13 . 1 1 117 117 PHE CB C 117 38.264 38.264 38.586 -0.322 18049
5871 1 13 . 1 1 117 117 PHE H H 117 8.529 8.529 9.224 -0.695 18049
5872 1 13 . 1 1 118 118 GLY N N 118 108.977 108.977 108.599 0.378 18049
5873 1 13 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.360 -0.999 18049
5874 1 13 . 1 1 118 118 GLY H H 118 8.870 8.870 8.497 0.373 18049
5875 1 13 . 1 1 119 119 ASP N N 119 117.997 117.997 119.015 -1.018 18049
5876 1 13 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.359 -0.015 18049
5877 1 13 . 1 1 119 119 ASP CA C 119 53.504 53.504 55.981 -2.477 18049
5878 1 13 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.728 -2.918 18049
5879 1 13 . 1 1 119 119 ASP H H 119 7.892 7.892 8.063 -0.171 18049
5880 1 13 . 1 1 120 120 ASP N N 120 116.782 116.782 116.424 0.358 18049
5881 1 13 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.613 0.242 18049
5882 1 13 . 1 1 120 120 ASP CA C 120 50.685 50.685 53.785 -3.100 18049
5883 1 13 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.552 -2.353 18049
5884 1 13 . 1 1 120 120 ASP H H 120 7.730 7.730 7.339 0.391 18049
5885 1 13 . 1 1 121 121 CYS N N 121 125.836 125.836 123.466 2.370 18049
5886 1 13 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.418 0.362 18049
5887 1 13 . 1 1 121 121 CYS CA C 121 56.067 56.067 60.563 -4.496 18049
5888 1 13 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.991 0.209 18049
5889 1 13 . 1 1 121 121 CYS H H 121 7.667 7.667 7.742 -0.075 18049
5890 1 14 . 1 1 3 3 ALA N N 3 125.353 125.353 123.433 1.920 18049
5891 1 14 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.285 -0.090 18049
5892 1 14 . 1 1 3 3 ALA CA C 3 49.578 49.578 52.081 -2.503 18049
5893 1 14 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.976 -2.165 18049
5894 1 14 . 1 1 3 3 ALA H H 3 8.182 8.182 7.584 0.598 18049
5895 1 14 . 1 1 4 4 ALA N N 4 124.707 124.707 129.202 -4.495 18049
5896 1 14 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.493 -0.033 18049
5897 1 14 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.476 -5.716 18049
5898 1 14 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.285 -1.487 18049
5899 1 14 . 1 1 4 4 ALA H H 4 8.151 8.151 8.737 -0.586 18049
5900 1 14 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.395 0.075 18049
5901 1 14 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.276 -3.956 18049
5902 1 14 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.918 -2.118 18049
5903 1 14 . 1 1 6 6 LYS N N 6 121.400 121.400 119.277 2.123 18049
5904 1 14 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.007 0.256 18049
5905 1 14 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.896 -5.266 18049
5906 1 14 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.669 0.331 18049
5907 1 14 . 1 1 6 6 LYS H H 6 8.230 8.230 8.669 -0.439 18049
5908 1 14 . 1 1 7 7 CYS N N 7 128.995 128.995 116.596 12.399 18049
5909 1 14 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.749 -0.635 18049
5910 1 14 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.842 -0.822 18049
5911 1 14 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.038 -2.318 18049
5912 1 14 . 1 1 7 7 CYS H H 7 8.354 8.354 8.177 0.177 18049
5913 1 14 . 1 1 8 8 ASN N N 8 127.325 127.325 121.089 6.236 18049
5914 1 14 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.506 0.199 18049
5915 1 14 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.313 -3.403 18049
5916 1 14 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.965 -3.035 18049
5917 1 14 . 1 1 8 8 ASN H H 8 8.659 8.659 8.735 -0.076 18049
5918 1 14 . 1 1 9 9 ASN N N 9 122.394 122.394 116.585 5.809 18049
5919 1 14 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.718 0.082 18049
5920 1 14 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.589 -0.277 18049
5921 1 14 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.307 -1.432 18049
5922 1 14 . 1 1 9 9 ASN H H 9 9.861 9.861 8.489 1.372 18049
5923 1 14 . 1 1 10 10 CYS N N 10 117.508 117.508 119.584 -2.076 18049
5924 1 14 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.588 0.117 18049
5925 1 14 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.021 -1.671 18049
5926 1 14 . 1 1 10 10 CYS CB C 10 29.540 29.540 29.360 0.180 18049
5927 1 14 . 1 1 10 10 CYS H H 10 8.814 8.814 8.298 0.516 18049
5928 1 14 . 1 1 11 11 SER N N 11 115.934 115.934 114.615 1.319 18049
5929 1 14 . 1 1 11 11 SER HA H 11 4.150 4.150 4.541 -0.391 18049
5930 1 14 . 1 1 11 11 SER CA C 11 58.769 58.769 57.724 1.045 18049
5931 1 14 . 1 1 11 11 SER CB C 11 59.635 59.635 64.995 -5.360 18049
5932 1 14 . 1 1 11 11 SER H H 11 7.821 7.821 8.066 -0.245 18049
5933 1 14 . 1 1 12 12 GLN N N 12 120.325 120.325 118.018 2.307 18049
5934 1 14 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.097 0.264 18049
5935 1 14 . 1 1 12 12 GLN CA C 12 52.870 52.870 57.298 -4.428 18049
5936 1 14 . 1 1 12 12 GLN CB C 12 27.913 27.913 27.658 0.255 18049
5937 1 14 . 1 1 12 12 GLN H H 12 8.311 8.311 8.716 -0.405 18049
5938 1 14 . 1 1 13 13 ARG N N 13 118.657 118.657 117.569 1.088 18049
5939 1 14 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.470 -0.102 18049
5940 1 14 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.751 -2.721 18049
5941 1 14 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.650 1.650 18049
5942 1 14 . 1 1 13 13 ARG H H 13 8.430 8.430 8.488 -0.058 18049
5943 1 14 . 1 1 14 14 GLY N N 14 107.015 107.015 109.174 -2.159 18049
5944 1 14 . 1 1 14 14 GLY CA C 14 42.730 42.730 46.047 -3.317 18049
5945 1 14 . 1 1 14 14 GLY H H 14 8.706 8.706 8.756 -0.050 18049
5946 1 14 . 1 1 15 15 HIS N N 15 113.397 113.397 121.367 -7.970 18049
5947 1 14 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.705 -0.105 18049
5948 1 14 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.282 -0.846 18049
5949 1 14 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.381 -0.494 18049
5950 1 14 . 1 1 15 15 HIS H H 15 6.998 6.998 7.881 -0.883 18049
5951 1 14 . 1 1 16 16 LEU N N 16 117.239 117.239 122.583 -5.344 18049
5952 1 14 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.268 0.317 18049
5953 1 14 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.907 -4.378 18049
5954 1 14 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.348 -0.152 18049
5955 1 14 . 1 1 16 16 LEU H H 16 8.614 8.614 8.001 0.613 18049
5956 1 14 . 1 1 17 17 LYS N N 17 122.561 122.561 121.399 1.162 18049
5957 1 14 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.979 0.801 18049
5958 1 14 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.630 -1.866 18049
5959 1 14 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.627 -1.826 18049
5960 1 14 . 1 1 17 17 LYS H H 17 8.681 8.681 8.633 0.048 18049
5961 1 14 . 1 1 18 18 LYS N N 18 117.626 117.626 111.753 5.873 18049
5962 1 14 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.325 -0.221 18049
5963 1 14 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.557 -1.738 18049
5964 1 14 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.105 -3.349 18049
5965 1 14 . 1 1 18 18 LYS H H 18 8.320 8.320 8.049 0.271 18049
5966 1 14 . 1 1 19 19 ASP N N 19 118.071 118.071 119.930 -1.859 18049
5967 1 14 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.716 0.134 18049
5968 1 14 . 1 1 19 19 ASP CA C 19 50.832 50.832 54.617 -3.785 18049
5969 1 14 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.330 -2.430 18049
5970 1 14 . 1 1 19 19 ASP H H 19 7.770 7.770 7.838 -0.068 18049
5971 1 14 . 1 1 20 20 CYS N N 20 123.265 123.265 120.694 2.571 18049
5972 1 14 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.765 -0.063 18049
5973 1 14 . 1 1 20 20 CYS CA C 20 59.556 59.556 57.895 1.661 18049
5974 1 14 . 1 1 20 20 CYS CB C 20 28.496 28.496 28.016 0.480 18049
5975 1 14 . 1 1 20 20 CYS H H 20 7.275 7.275 7.768 -0.493 18049
5976 1 14 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.156 -4.256 18049
5977 1 14 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.310 -1.591 18049
5978 1 14 . 1 1 22 22 HIS N N 22 121.576 121.576 119.867 1.709 18049
5979 1 14 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.972 -3.488 18049
5980 1 14 . 1 1 22 22 HIS CB C 22 27.833 27.833 29.956 -2.123 18049
5981 1 14 . 1 1 22 22 HIS H H 22 7.882 7.882 8.565 -0.683 18049
5982 1 14 . 1 1 23 23 ILE N N 23 117.100 117.100 120.688 -3.588 18049
5983 1 14 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.132 0.038 18049
5984 1 14 . 1 1 23 23 ILE CA C 23 57.420 57.420 59.560 -2.140 18049
5985 1 14 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.153 -0.173 18049
5986 1 14 . 1 1 23 23 ILE H H 23 8.660 8.660 8.050 0.610 18049
5987 1 14 . 1 1 24 24 ILE N N 24 126.524 126.524 121.705 4.819 18049
5988 1 14 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.977 -0.027 18049
5989 1 14 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.736 -4.046 18049
5990 1 14 . 1 1 24 24 ILE CB C 24 37.176 37.176 36.646 0.530 18049
5991 1 14 . 1 1 24 24 ILE H H 24 8.486 8.486 7.695 0.791 18049
5992 1 14 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.591 -3.577 18049
5993 1 14 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.708 -1.435 18049
5994 1 14 . 1 1 26 26 SER N N 26 127.811 127.811 113.318 14.493 18049
5995 1 14 . 1 1 26 26 SER HA H 26 4.050 4.050 4.280 -0.230 18049
5996 1 14 . 1 1 26 26 SER CA C 26 58.170 58.170 57.741 0.429 18049
5997 1 14 . 1 1 26 26 SER CB C 26 60.523 60.523 64.441 -3.918 18049
5998 1 14 . 1 1 26 26 SER H H 26 9.491 9.491 7.587 1.904 18049
5999 1 14 . 1 1 27 27 TYR N N 27 124.378 124.378 119.761 4.617 18049
6000 1 14 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.700 -0.175 18049
6001 1 14 . 1 1 27 27 TYR CA C 27 57.890 57.890 57.547 0.343 18049
6002 1 14 . 1 1 27 27 TYR CB C 27 37.093 37.093 35.879 1.214 18049
6003 1 14 . 1 1 27 27 TYR H H 27 9.389 9.389 8.753 0.636 18049
6004 1 14 . 1 1 28 28 CYS N N 28 126.900 126.900 114.508 12.392 18049
6005 1 14 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.518 -1.597 18049
6006 1 14 . 1 1 28 28 CYS CB C 28 30.198 30.198 30.625 -0.427 18049
6007 1 14 . 1 1 28 28 CYS H H 28 8.490 8.490 7.857 0.633 18049
6008 1 14 . 1 1 29 29 GLY N N 29 113.271 113.271 107.595 5.676 18049
6009 1 14 . 1 1 29 29 GLY CA C 29 43.348 43.348 45.332 -1.984 18049
6010 1 14 . 1 1 29 29 GLY H H 29 7.792 7.792 7.587 0.205 18049
6011 1 14 . 1 1 30 30 ALA N N 30 124.805 124.805 123.283 1.522 18049
6012 1 14 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.383 -0.264 18049
6013 1 14 . 1 1 30 30 ALA CA C 30 51.140 51.140 52.004 -0.864 18049
6014 1 14 . 1 1 30 30 ALA CB C 30 17.720 17.720 18.371 -0.651 18049
6015 1 14 . 1 1 30 30 ALA H H 30 8.541 8.541 8.235 0.306 18049
6016 1 14 . 1 1 31 31 THR N N 31 118.352 118.352 118.185 0.167 18049
6017 1 14 . 1 1 31 31 THR CA C 31 58.082 58.082 63.210 -5.128 18049
6018 1 14 . 1 1 31 31 THR CB C 31 67.072 67.072 67.721 -0.649 18049
6019 1 14 . 1 1 31 31 THR H H 31 8.544 8.544 7.945 0.599 18049
6020 1 14 . 1 1 32 32 ASP N N 32 123.222 123.222 121.611 1.611 18049
6021 1 14 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.685 -0.642 18049
6022 1 14 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.627 -1.478 18049
6023 1 14 . 1 1 32 32 ASP CB C 32 36.447 36.447 40.732 -4.285 18049
6024 1 14 . 1 1 32 32 ASP H H 32 9.768 9.768 8.489 1.279 18049
6025 1 14 . 1 1 33 33 ASP N N 33 116.889 116.889 118.955 -2.066 18049
6026 1 14 . 1 1 33 33 ASP CA C 33 53.320 53.320 55.436 -2.116 18049
6027 1 14 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.874 1.316 18049
6028 1 14 . 1 1 33 33 ASP H H 33 8.111 8.111 7.750 0.361 18049
6029 1 14 . 1 1 34 34 HIS N N 34 110.849 110.849 117.194 -6.345 18049
6030 1 14 . 1 1 34 34 HIS CA C 34 53.190 53.190 54.808 -1.618 18049
6031 1 14 . 1 1 34 34 HIS CB C 34 37.770 37.770 29.898 7.872 18049
6032 1 14 . 1 1 34 34 HIS H H 34 6.959 6.959 7.370 -0.411 18049
6033 1 14 . 1 1 35 35 TYR N N 35 117.529 117.529 119.572 -2.043 18049
6034 1 14 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.596 -2.459 18049
6035 1 14 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.350 -3.783 18049
6036 1 14 . 1 1 35 35 TYR H H 35 8.813 8.813 8.530 0.283 18049
6037 1 14 . 1 1 36 36 SER N N 36 121.984 121.984 117.646 4.338 18049
6038 1 14 . 1 1 36 36 SER CA C 36 57.520 57.520 59.738 -2.218 18049
6039 1 14 . 1 1 36 36 SER CB C 36 59.800 59.800 62.454 -2.654 18049
6040 1 14 . 1 1 36 36 SER H H 36 8.518 8.518 7.576 0.942 18049
6041 1 14 . 1 1 37 37 ARG N N 37 119.707 119.707 118.352 1.355 18049
6042 1 14 . 1 1 37 37 ARG CA C 37 51.671 51.671 56.761 -5.090 18049
6043 1 14 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.206 -3.113 18049
6044 1 14 . 1 1 37 37 ARG H H 37 7.963 7.963 7.911 0.052 18049
6045 1 14 . 1 1 38 38 HIS N N 38 125.394 125.394 117.790 7.604 18049
6046 1 14 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.062 1.214 18049
6047 1 14 . 1 1 38 38 HIS H H 38 7.443 7.443 8.390 -0.947 18049
6048 1 14 . 1 1 39 39 CYS HA H 39 4.450 4.450 3.325 1.125 18049
6049 1 14 . 1 1 39 39 CYS CA C 39 51.680 51.680 61.360 -9.680 18049
6050 1 14 . 1 1 39 39 CYS CB C 39 28.240 28.240 27.168 1.072 18049
6051 1 14 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.707 -0.397 18049
6052 1 14 . 1 1 40 40 PRO CA C 40 60.440 60.440 62.683 -2.243 18049
6053 1 14 . 1 1 40 40 PRO CB C 40 30.300 30.300 29.919 0.381 18049
6054 1 14 . 1 1 41 41 LYS N N 41 121.400 121.400 122.552 -1.152 18049
6055 1 14 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.393 -0.314 18049
6056 1 14 . 1 1 41 41 LYS CA C 41 53.680 53.680 56.107 -2.427 18049
6057 1 14 . 1 1 41 41 LYS CB C 41 29.641 29.641 34.867 -5.226 18049
6058 1 14 . 1 1 41 41 LYS H H 41 8.650 8.650 7.574 1.076 18049
6059 1 14 . 1 1 42 42 ALA N N 42 122.096 122.096 125.004 -2.908 18049
6060 1 14 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.114 -0.595 18049
6061 1 14 . 1 1 42 42 ALA CA C 42 49.591 49.591 54.349 -4.758 18049
6062 1 14 . 1 1 42 42 ALA CB C 42 16.456 16.456 17.973 -1.517 18049
6063 1 14 . 1 1 42 42 ALA H H 42 7.201 7.201 8.796 -1.595 18049
6064 1 14 . 1 1 43 43 ILE N N 43 119.646 119.646 119.866 -0.220 18049
6065 1 14 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.389 -0.658 18049
6066 1 14 . 1 1 43 43 ILE CA C 43 57.966 57.966 59.356 -1.390 18049
6067 1 14 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.405 -0.428 18049
6068 1 14 . 1 1 43 43 ILE H H 43 7.086 7.086 7.795 -0.709 18049
6069 1 14 . 1 1 44 44 GLN N N 44 125.541 125.541 120.128 5.413 18049
6070 1 14 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.700 -0.268 18049
6071 1 14 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.743 -2.007 18049
6072 1 14 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.978 -3.894 18049
6073 1 14 . 1 1 44 44 GLN H H 44 7.980 7.980 7.475 0.505 18049
6074 1 14 . 1 1 45 45 CYS N N 45 130.678 130.678 119.914 10.764 18049
6075 1 14 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.737 -0.617 18049
6076 1 14 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.287 1.043 18049
6077 1 14 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.203 -2.203 18049
6078 1 14 . 1 1 45 45 CYS H H 45 8.353 8.353 8.647 -0.294 18049
6079 1 14 . 1 1 46 46 SER N N 46 124.273 124.273 116.962 7.311 18049
6080 1 14 . 1 1 46 46 SER HA H 46 4.334 4.334 4.263 0.071 18049
6081 1 14 . 1 1 46 46 SER CA C 46 56.923 56.923 59.581 -2.658 18049
6082 1 14 . 1 1 46 46 SER CB C 46 60.400 60.400 63.273 -2.873 18049
6083 1 14 . 1 1 46 46 SER H H 46 8.466 8.466 8.623 -0.157 18049
6084 1 14 . 1 1 47 47 LYS N N 47 127.929 127.929 122.566 5.363 18049
6085 1 14 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.003 0.357 18049
6086 1 14 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.589 -1.269 18049
6087 1 14 . 1 1 47 47 LYS CB C 47 31.300 31.300 31.326 -0.026 18049
6088 1 14 . 1 1 47 47 LYS H H 47 9.720 9.720 8.905 0.815 18049
6089 1 14 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.800 -0.210 18049
6090 1 14 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.343 -5.843 18049
6091 1 14 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.904 -2.804 18049
6092 1 14 . 1 1 48 48 CYS H H 48 8.600 8.600 7.784 0.817 18049
6093 1 14 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.754 -0.044 18049
6094 1 14 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.415 -0.115 18049
6095 1 14 . 1 1 49 49 ASP CB C 49 41.200 41.200 42.595 -1.395 18049
6096 1 14 . 1 1 49 49 ASP H H 49 8.830 8.830 8.823 0.007 18049
6097 1 14 . 1 1 50 50 GLU N N 50 118.700 118.700 117.089 1.611 18049
6098 1 14 . 1 1 50 50 GLU HA H 50 4.295 4.295 5.291 -0.996 18049
6099 1 14 . 1 1 50 50 GLU CA C 50 54.340 54.340 54.141 0.199 18049
6100 1 14 . 1 1 50 50 GLU CB C 50 28.500 28.500 34.370 -5.870 18049
6101 1 14 . 1 1 50 50 GLU H H 50 8.226 8.226 7.973 0.253 18049
6102 1 14 . 1 1 51 51 VAL N N 51 118.593 118.593 117.136 1.457 18049
6103 1 14 . 1 1 51 51 VAL HA H 51 4.273 4.273 3.891 0.382 18049
6104 1 14 . 1 1 51 51 VAL CA C 51 59.380 59.380 64.211 -4.831 18049
6105 1 14 . 1 1 51 51 VAL CB C 51 30.250 30.250 30.948 -0.699 18049
6106 1 14 . 1 1 51 51 VAL H H 51 8.216 8.216 8.256 -0.040 18049
6107 1 14 . 1 1 52 52 GLY N N 52 110.908 110.908 106.761 4.147 18049
6108 1 14 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.756 -2.066 18049
6109 1 14 . 1 1 52 52 GLY H H 52 8.630 8.630 7.705 0.925 18049
6110 1 14 . 1 1 53 53 HIS N N 53 113.633 113.633 118.454 -4.821 18049
6111 1 14 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.680 -0.090 18049
6112 1 14 . 1 1 53 53 HIS CA C 53 52.450 52.450 55.140 -2.690 18049
6113 1 14 . 1 1 53 53 HIS CB C 53 28.040 28.040 30.477 -2.437 18049
6114 1 14 . 1 1 53 53 HIS H H 53 6.855 6.855 7.754 -0.899 18049
6115 1 14 . 1 1 54 54 TYR N N 54 115.154 115.154 118.365 -3.211 18049
6116 1 14 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.684 -0.514 18049
6117 1 14 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.053 -2.253 18049
6118 1 14 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.263 -3.634 18049
6119 1 14 . 1 1 54 54 TYR H H 54 8.054 8.054 7.157 0.897 18049
6120 1 14 . 1 1 55 55 ARG N N 55 126.509 126.509 123.068 3.441 18049
6121 1 14 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.822 -0.223 18049
6122 1 14 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.647 -1.824 18049
6123 1 14 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.820 -2.599 18049
6124 1 14 . 1 1 55 55 ARG H H 55 8.490 8.490 9.159 -0.669 18049
6125 1 14 . 1 1 56 56 SER N N 56 116.450 116.450 108.506 7.944 18049
6126 1 14 . 1 1 56 56 SER CA C 56 56.523 56.523 60.964 -4.441 18049
6127 1 14 . 1 1 56 56 SER CB C 56 62.261 62.261 62.024 0.237 18049
6128 1 14 . 1 1 56 56 SER H H 56 8.247 8.247 8.865 -0.618 18049
6129 1 14 . 1 1 57 57 GLN N N 57 124.678 124.678 117.921 6.757 18049
6130 1 14 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.904 -0.730 18049
6131 1 14 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.101 -1.491 18049
6132 1 14 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.535 -4.474 18049
6133 1 14 . 1 1 57 57 GLN H H 57 8.702 8.702 7.978 0.724 18049
6134 1 14 . 1 1 58 58 CYS N N 58 126.577 126.577 119.247 7.330 18049
6135 1 14 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.110 0.306 18049
6136 1 14 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.190 -3.188 18049
6137 1 14 . 1 1 58 58 CYS CB C 58 31.080 31.080 25.722 5.358 18049
6138 1 14 . 1 1 58 58 CYS H H 58 7.694 7.694 7.898 -0.204 18049
6139 1 14 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.734 2.057 18049
6140 1 14 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.131 -2.720 18049
6141 1 14 . 1 1 63 63 LYS N N 63 121.641 121.641 122.405 -0.764 18049
6142 1 14 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.149 -3.777 18049
6143 1 14 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.913 -5.120 18049
6144 1 14 . 1 1 63 63 LYS H H 63 8.033 8.033 7.415 0.618 18049
6145 1 14 . 1 1 64 64 LYS N N 64 111.775 111.775 118.047 -6.272 18049
6146 1 14 . 1 1 64 64 LYS CA C 64 53.743 53.743 54.495 -0.752 18049
6147 1 14 . 1 1 64 64 LYS H H 64 8.104 8.104 6.398 1.706 18049
6148 1 14 . 1 1 65 65 VAL N N 65 122.037 122.037 121.318 0.719 18049
6149 1 14 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.241 -0.201 18049
6150 1 14 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.292 -2.002 18049
6151 1 14 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.691 -4.280 18049
6152 1 14 . 1 1 65 65 VAL H H 65 8.306 8.306 8.445 -0.139 18049
6153 1 14 . 1 1 66 66 GLN N N 66 121.994 121.994 126.905 -4.911 18049
6154 1 14 . 1 1 66 66 GLN CA C 66 53.603 53.603 58.533 -4.930 18049
6155 1 14 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.386 1.914 18049
6156 1 14 . 1 1 66 66 GLN H H 66 8.360 8.360 9.142 -0.782 18049
6157 1 14 . 1 1 67 67 CYS N N 67 121.582 121.582 116.354 5.228 18049
6158 1 14 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.581 -0.542 18049
6159 1 14 . 1 1 67 67 CYS CA C 67 59.215 59.215 60.883 -1.668 18049
6160 1 14 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.818 2.714 18049
6161 1 14 . 1 1 67 67 CYS H H 67 8.032 8.032 8.487 -0.455 18049
6162 1 14 . 1 1 68 68 THR HA H 68 4.046 4.046 3.900 0.146 18049
6163 1 14 . 1 1 68 68 THR CA C 68 61.228 61.228 65.527 -4.299 18049
6164 1 14 . 1 1 68 68 THR CB C 68 65.371 65.371 68.081 -2.710 18049
6165 1 14 . 1 1 69 69 LEU N N 69 124.335 124.335 120.320 4.015 18049
6166 1 14 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.315 0.067 18049
6167 1 14 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.213 -1.784 18049
6168 1 14 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.154 -2.365 18049
6169 1 14 . 1 1 69 69 LEU H H 69 9.024 9.024 7.654 1.370 18049
6170 1 14 . 1 1 70 70 CYS N N 70 118.876 118.876 118.142 0.734 18049
6171 1 14 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.618 -0.282 18049
6172 1 14 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.844 -4.699 18049
6173 1 14 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.647 0.216 18049
6174 1 14 . 1 1 70 70 CYS H H 70 8.716 8.716 7.663 1.053 18049
6175 1 14 . 1 1 71 71 LYS N N 71 122.961 122.961 123.090 -0.129 18049
6176 1 14 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.558 -0.391 18049
6177 1 14 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.471 -1.636 18049
6178 1 14 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.243 1.277 18049
6179 1 14 . 1 1 71 71 LYS H H 71 8.505 8.505 8.457 0.048 18049
6180 1 14 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.319 -0.081 18049
6181 1 14 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.551 -2.308 18049
6182 1 14 . 1 1 75 75 HIS N N 75 111.915 111.915 118.963 -7.048 18049
6183 1 14 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.718 -0.258 18049
6184 1 14 . 1 1 75 75 HIS CA C 75 52.255 52.255 53.965 -1.710 18049
6185 1 14 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.410 -1.710 18049
6186 1 14 . 1 1 75 75 HIS H H 75 6.732 6.732 7.547 -0.815 18049
6187 1 14 . 1 1 78 78 GLU N N 78 118.980 118.980 120.874 -1.894 18049
6188 1 14 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.292 -0.282 18049
6189 1 14 . 1 1 78 78 GLU CA C 78 56.480 56.480 55.920 0.560 18049
6190 1 14 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.649 5.700 18049
6191 1 14 . 1 1 78 78 GLU H H 78 8.831 8.831 7.764 1.067 18049
6192 1 14 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.306 -0.026 18049
6193 1 14 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.707 -3.196 18049
6194 1 14 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.002 -2.488 18049
6195 1 14 . 1 1 82 82 SER N N 82 116.172 116.172 112.262 3.910 18049
6196 1 14 . 1 1 82 82 SER HA H 82 4.105 4.105 4.630 -0.525 18049
6197 1 14 . 1 1 82 82 SER CA C 82 58.317 58.317 57.770 0.547 18049
6198 1 14 . 1 1 82 82 SER CB C 82 60.104 60.104 63.334 -3.231 18049
6199 1 14 . 1 1 82 82 SER H H 82 8.684 8.684 8.102 0.582 18049
6200 1 14 . 1 1 83 83 ILE N N 83 118.847 118.847 124.155 -5.308 18049
6201 1 14 . 1 1 83 83 ILE CA C 83 59.168 59.168 62.830 -3.662 18049
6202 1 14 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.187 0.295 18049
6203 1 14 . 1 1 83 83 ILE H H 83 7.424 7.424 7.694 -0.270 18049
6204 1 14 . 1 1 84 84 TRP N N 84 115.140 115.140 121.190 -6.050 18049
6205 1 14 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.983 -3.389 18049
6206 1 14 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.343 -3.475 18049
6207 1 14 . 1 1 84 84 TRP H H 84 8.131 8.131 8.187 -0.056 18049
6208 1 14 . 1 1 85 85 ARG N N 85 118.936 118.936 116.687 2.249 18049
6209 1 14 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.061 -3.843 18049
6210 1 14 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.324 -0.994 18049
6211 1 14 . 1 1 85 85 ARG H H 85 7.884 7.884 7.883 0.001 18049
6212 1 14 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.210 -0.240 18049
6213 1 14 . 1 1 86 86 ALA CA C 86 50.020 50.020 54.183 -4.163 18049
6214 1 14 . 1 1 86 86 ALA CB C 86 16.400 16.400 18.383 -1.983 18049
6215 1 14 . 1 1 87 87 TYR N N 87 117.965 117.965 115.952 2.013 18049
6216 1 14 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.293 0.163 18049
6217 1 14 . 1 1 87 87 TYR CA C 87 54.928 54.928 58.123 -3.195 18049
6218 1 14 . 1 1 87 87 TYR CB C 87 40.012 40.012 37.248 2.764 18049
6219 1 14 . 1 1 87 87 TYR H H 87 7.733 7.733 7.984 -0.251 18049
6220 1 14 . 1 1 89 89 LEU CA C 89 55.641 55.641 55.624 0.017 18049
6221 1 14 . 1 1 89 89 LEU CB C 89 36.799 36.799 40.007 -3.208 18049
6222 1 14 . 1 1 90 90 VAL N N 90 118.969 118.969 118.209 0.760 18049
6223 1 14 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.994 -2.884 18049
6224 1 14 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.568 -2.441 18049
6225 1 14 . 1 1 90 90 VAL H H 90 8.944 8.944 7.846 1.098 18049
6226 1 14 . 1 1 91 91 ASP N N 91 127.947 127.947 119.684 8.263 18049
6227 1 14 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.514 -3.546 18049
6228 1 14 . 1 1 91 91 ASP CB C 91 38.862 38.862 43.083 -4.221 18049
6229 1 14 . 1 1 91 91 ASP H H 91 8.320 8.320 7.898 0.422 18049
6230 1 14 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.175 -2.157 18049
6231 1 14 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.054 -3.607 18049
6232 1 14 . 1 1 93 93 ASN N N 93 118.727 118.727 117.443 1.284 18049
6233 1 14 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.568 -1.415 18049
6234 1 14 . 1 1 93 93 ASN CB C 93 36.371 36.371 41.052 -4.681 18049
6235 1 14 . 1 1 93 93 ASN H H 93 8.396 8.396 8.064 0.332 18049
6236 1 14 . 1 1 94 94 GLU N N 94 120.824 120.824 120.284 0.540 18049
6237 1 14 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.073 -2.684 18049
6238 1 14 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.355 -3.085 18049
6239 1 14 . 1 1 94 94 GLU H H 94 8.266 8.266 8.764 -0.498 18049
6240 1 14 . 1 1 95 95 LYS N N 95 121.079 121.079 120.385 0.694 18049
6241 1 14 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.617 -0.461 18049
6242 1 14 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.588 -1.747 18049
6243 1 14 . 1 1 95 95 LYS CB C 95 30.173 30.173 34.213 -4.040 18049
6244 1 14 . 1 1 95 95 LYS H H 95 8.055 8.055 7.778 0.277 18049
6245 1 14 . 1 1 96 96 ALA N N 96 124.103 124.103 123.309 0.794 18049
6246 1 14 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.704 -0.502 18049
6247 1 14 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.450 -1.723 18049
6248 1 14 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.564 -3.812 18049
6249 1 14 . 1 1 96 96 ALA H H 96 8.053 8.053 8.230 -0.177 18049
6250 1 14 . 1 1 97 97 LYS N N 97 121.893 121.893 120.947 0.946 18049
6251 1 14 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.986 -0.101 18049
6252 1 14 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.671 -3.212 18049
6253 1 14 . 1 1 97 97 LYS H H 97 8.091 8.091 8.596 -0.505 18049
6254 1 14 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.728 -0.292 18049
6255 1 14 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.749 -2.724 18049
6256 1 14 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.271 -2.729 18049
6257 1 14 . 1 1 99 99 LYS N N 99 121.497 121.497 120.800 0.697 18049
6258 1 14 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.443 -0.078 18049
6259 1 14 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.284 -2.625 18049
6260 1 14 . 1 1 99 99 LYS CB C 99 31.973 31.973 35.290 -3.317 18049
6261 1 14 . 1 1 99 99 LYS H H 99 8.241 8.241 8.236 0.005 18049
6262 1 14 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.375 -0.108 18049
6263 1 14 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.825 -1.423 18049
6264 1 14 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.247 -2.790 18049
6265 1 14 . 1 1 103 103 PHE N N 103 118.755 118.755 118.341 0.414 18049
6266 1 14 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.864 -1.805 18049
6267 1 14 . 1 1 103 103 PHE H H 103 8.675 8.675 7.611 1.064 18049
6268 1 14 . 1 1 105 105 THR HA H 105 4.630 4.630 4.677 -0.047 18049
6269 1 14 . 1 1 105 105 THR CA C 105 59.356 59.356 61.239 -1.883 18049
6270 1 14 . 1 1 105 105 THR CB C 105 67.299 67.299 68.790 -1.491 18049
6271 1 14 . 1 1 106 106 ILE N N 106 124.035 124.035 116.732 7.303 18049
6272 1 14 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.483 0.148 18049
6273 1 14 . 1 1 106 106 ILE CA C 106 57.730 57.730 61.700 -3.970 18049
6274 1 14 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.594 -1.687 18049
6275 1 14 . 1 1 106 106 ILE H H 106 7.833 7.833 7.854 -0.021 18049
6276 1 14 . 1 1 107 107 TYR N N 107 118.339 118.339 118.989 -0.650 18049
6277 1 14 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.586 -0.046 18049
6278 1 14 . 1 1 107 107 TYR CA C 107 55.828 55.828 57.201 -1.373 18049
6279 1 14 . 1 1 107 107 TYR CB C 107 37.240 37.240 41.063 -3.823 18049
6280 1 14 . 1 1 107 107 TYR H H 107 8.925 8.925 7.214 1.711 18049
6281 1 14 . 1 1 108 108 CYS N N 108 130.380 130.380 121.885 8.495 18049
6282 1 14 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.224 -0.104 18049
6283 1 14 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.753 -2.803 18049
6284 1 14 . 1 1 108 108 CYS CB C 108 27.900 27.900 27.903 -0.003 18049
6285 1 14 . 1 1 108 108 CYS H H 108 8.335 8.335 8.393 -0.058 18049
6286 1 14 . 1 1 109 109 TYR N N 109 126.618 126.618 115.380 11.238 18049
6287 1 14 . 1 1 109 109 TYR HA H 109 4.400 4.400 3.968 0.432 18049
6288 1 14 . 1 1 109 109 TYR CA C 109 56.270 56.270 60.292 -4.022 18049
6289 1 14 . 1 1 109 109 TYR CB C 109 34.500 34.500 36.452 -1.952 18049
6290 1 14 . 1 1 109 109 TYR H H 109 8.011 8.011 7.411 0.600 18049
6291 1 14 . 1 1 110 110 ASN N N 110 125.398 125.398 115.969 9.429 18049
6292 1 14 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.819 -0.017 18049
6293 1 14 . 1 1 110 110 ASN CA C 110 53.569 53.569 53.698 -0.129 18049
6294 1 14 . 1 1 110 110 ASN CB C 110 37.922 37.922 41.081 -3.159 18049
6295 1 14 . 1 1 110 110 ASN H H 110 9.284 9.284 8.140 1.144 18049
6296 1 14 . 1 1 111 111 CYS N N 111 118.921 118.921 116.028 2.893 18049
6297 1 14 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.743 0.167 18049
6298 1 14 . 1 1 111 111 CYS CA C 111 55.986 55.986 56.508 -0.522 18049
6299 1 14 . 1 1 111 111 CYS CB C 111 30.172 30.172 30.166 0.007 18049
6300 1 14 . 1 1 111 111 CYS H H 111 9.171 9.171 7.460 1.711 18049
6301 1 14 . 1 1 112 112 GLY N N 112 114.064 114.064 108.188 5.876 18049
6302 1 14 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.830 -2.549 18049
6303 1 14 . 1 1 112 112 GLY H H 112 7.840 7.840 8.396 -0.556 18049
6304 1 14 . 1 1 113 113 GLY N N 113 112.541 112.541 109.125 3.416 18049
6305 1 14 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.678 -3.485 18049
6306 1 14 . 1 1 113 113 GLY H H 113 9.023 9.023 8.106 0.917 18049
6307 1 14 . 1 1 114 114 LYS N N 114 119.130 119.130 119.483 -0.353 18049
6308 1 14 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.458 -0.198 18049
6309 1 14 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.656 -3.906 18049
6310 1 14 . 1 1 114 114 LYS CB C 114 31.680 31.680 34.253 -2.573 18049
6311 1 14 . 1 1 114 114 LYS H H 114 8.200 8.200 8.439 -0.239 18049
6312 1 14 . 1 1 115 115 GLY N N 115 108.864 108.864 106.940 1.924 18049
6313 1 14 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.433 -2.360 18049
6314 1 14 . 1 1 115 115 GLY H H 115 8.501 8.501 7.909 0.592 18049
6315 1 14 . 1 1 116 116 HIS N N 116 113.173 113.173 118.736 -5.563 18049
6316 1 14 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.399 0.032 18049
6317 1 14 . 1 1 116 116 HIS CA C 116 52.400 52.400 57.928 -5.528 18049
6318 1 14 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.951 -2.421 18049
6319 1 14 . 1 1 116 116 HIS H H 116 6.665 6.665 8.225 -1.560 18049
6320 1 14 . 1 1 117 117 PHE N N 117 116.353 116.353 119.220 -2.867 18049
6321 1 14 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.716 -0.036 18049
6322 1 14 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.622 -2.538 18049
6323 1 14 . 1 1 117 117 PHE CB C 117 38.264 38.264 39.804 -1.540 18049
6324 1 14 . 1 1 117 117 PHE H H 117 8.529 8.529 7.548 0.981 18049
6325 1 14 . 1 1 118 118 GLY N N 118 108.977 108.977 109.588 -0.611 18049
6326 1 14 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.634 -1.273 18049
6327 1 14 . 1 1 118 118 GLY H H 118 8.870 8.870 8.325 0.545 18049
6328 1 14 . 1 1 119 119 ASP N N 119 117.997 117.997 118.511 -0.514 18049
6329 1 14 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.442 -0.098 18049
6330 1 14 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.141 -2.637 18049
6331 1 14 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.700 -2.890 18049
6332 1 14 . 1 1 119 119 ASP H H 119 7.892 7.892 7.941 -0.049 18049
6333 1 14 . 1 1 120 120 ASP N N 120 116.782 116.782 116.364 0.418 18049
6334 1 14 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.704 0.151 18049
6335 1 14 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.137 -3.452 18049
6336 1 14 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.145 -1.946 18049
6337 1 14 . 1 1 120 120 ASP H H 120 7.730 7.730 7.788 -0.058 18049
6338 1 14 . 1 1 121 121 CYS N N 121 125.836 125.836 121.242 4.594 18049
6339 1 14 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.670 0.110 18049
6340 1 14 . 1 1 121 121 CYS CA C 121 56.067 56.067 57.934 -1.867 18049
6341 1 14 . 1 1 121 121 CYS CB C 121 28.200 28.200 26.075 2.125 18049
6342 1 14 . 1 1 121 121 CYS H H 121 7.667 7.667 8.057 -0.390 18049
6343 1 15 . 1 1 3 3 ALA N N 3 125.353 125.353 122.261 3.092 18049
6344 1 15 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.390 -0.195 18049
6345 1 15 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.812 -2.234 18049
6346 1 15 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.766 -1.955 18049
6347 1 15 . 1 1 3 3 ALA H H 3 8.182 8.182 7.877 0.305 18049
6348 1 15 . 1 1 4 4 ALA N N 4 124.707 124.707 129.526 -4.819 18049
6349 1 15 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.384 0.076 18049
6350 1 15 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.876 -6.116 18049
6351 1 15 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.131 -1.333 18049
6352 1 15 . 1 1 4 4 ALA H H 4 8.151 8.151 8.628 -0.477 18049
6353 1 15 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.390 0.080 18049
6354 1 15 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.402 -4.082 18049
6355 1 15 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.732 -1.932 18049
6356 1 15 . 1 1 6 6 LYS N N 6 121.400 121.400 117.435 3.965 18049
6357 1 15 . 1 1 6 6 LYS HA H 6 4.263 4.263 4.024 0.239 18049
6358 1 15 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.388 -5.758 18049
6359 1 15 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.326 0.674 18049
6360 1 15 . 1 1 6 6 LYS H H 6 8.230 8.230 8.763 -0.533 18049
6361 1 15 . 1 1 7 7 CYS N N 7 128.995 128.995 115.723 13.272 18049
6362 1 15 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.817 -0.703 18049
6363 1 15 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.789 -0.769 18049
6364 1 15 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.901 -3.181 18049
6365 1 15 . 1 1 7 7 CYS H H 7 8.354 8.354 8.241 0.113 18049
6366 1 15 . 1 1 8 8 ASN N N 8 127.325 127.325 119.380 7.945 18049
6367 1 15 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.545 0.160 18049
6368 1 15 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.058 -3.148 18049
6369 1 15 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.345 -3.415 18049
6370 1 15 . 1 1 8 8 ASN H H 8 8.659 8.659 8.732 -0.073 18049
6371 1 15 . 1 1 9 9 ASN N N 9 122.394 122.394 116.989 5.405 18049
6372 1 15 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.793 0.008 18049
6373 1 15 . 1 1 9 9 ASN CA C 9 53.312 53.312 52.172 1.140 18049
6374 1 15 . 1 1 9 9 ASN CB C 9 37.875 37.875 40.033 -2.158 18049
6375 1 15 . 1 1 9 9 ASN H H 9 9.861 9.861 7.642 2.219 18049
6376 1 15 . 1 1 10 10 CYS N N 10 117.508 117.508 118.567 -1.059 18049
6377 1 15 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.239 0.466 18049
6378 1 15 . 1 1 10 10 CYS CA C 10 56.350 56.350 59.948 -3.598 18049
6379 1 15 . 1 1 10 10 CYS CB C 10 29.540 29.540 27.870 1.670 18049
6380 1 15 . 1 1 10 10 CYS H H 10 8.814 8.814 8.280 0.534 18049
6381 1 15 . 1 1 11 11 SER N N 11 115.934 115.934 115.772 0.162 18049
6382 1 15 . 1 1 11 11 SER HA H 11 4.150 4.150 4.568 -0.418 18049
6383 1 15 . 1 1 11 11 SER CA C 11 58.769 58.769 57.560 1.209 18049
6384 1 15 . 1 1 11 11 SER CB C 11 59.635 59.635 64.292 -4.657 18049
6385 1 15 . 1 1 11 11 SER H H 11 7.821 7.821 8.250 -0.429 18049
6386 1 15 . 1 1 12 12 GLN N N 12 120.325 120.325 121.873 -1.548 18049
6387 1 15 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.482 -0.121 18049
6388 1 15 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.275 -2.405 18049
6389 1 15 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.555 -2.642 18049
6390 1 15 . 1 1 12 12 GLN H H 12 8.311 8.311 7.811 0.500 18049
6391 1 15 . 1 1 13 13 ARG N N 13 118.657 118.657 123.635 -4.978 18049
6392 1 15 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.131 0.237 18049
6393 1 15 . 1 1 13 13 ARG CA C 13 53.030 53.030 58.084 -5.054 18049
6394 1 15 . 1 1 13 13 ARG CB C 13 32.300 32.300 29.713 2.587 18049
6395 1 15 . 1 1 13 13 ARG H H 13 8.430 8.430 8.721 -0.291 18049
6396 1 15 . 1 1 14 14 GLY N N 14 107.015 107.015 105.754 1.261 18049
6397 1 15 . 1 1 14 14 GLY CA C 14 42.730 42.730 44.830 -2.099 18049
6398 1 15 . 1 1 14 14 GLY H H 14 8.706 8.706 8.201 0.505 18049
6399 1 15 . 1 1 15 15 HIS N N 15 113.397 113.397 117.858 -4.461 18049
6400 1 15 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.871 -0.271 18049
6401 1 15 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.255 -0.819 18049
6402 1 15 . 1 1 15 15 HIS CB C 15 27.887 27.887 29.669 -1.782 18049
6403 1 15 . 1 1 15 15 HIS H H 15 6.998 6.998 7.702 -0.704 18049
6404 1 15 . 1 1 16 16 LEU N N 16 117.239 117.239 119.675 -2.436 18049
6405 1 15 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.403 0.182 18049
6406 1 15 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.741 -4.212 18049
6407 1 15 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.820 -0.624 18049
6408 1 15 . 1 1 16 16 LEU H H 16 8.614 8.614 8.115 0.499 18049
6409 1 15 . 1 1 17 17 LYS N N 17 122.561 122.561 121.410 1.151 18049
6410 1 15 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.978 0.802 18049
6411 1 15 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.628 -1.864 18049
6412 1 15 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.466 -1.665 18049
6413 1 15 . 1 1 17 17 LYS H H 17 8.681 8.681 8.644 0.037 18049
6414 1 15 . 1 1 18 18 LYS N N 18 117.626 117.626 114.897 2.729 18049
6415 1 15 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.168 -0.064 18049
6416 1 15 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.581 -2.762 18049
6417 1 15 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.142 -3.387 18049
6418 1 15 . 1 1 18 18 LYS H H 18 8.320 8.320 8.221 0.099 18049
6419 1 15 . 1 1 19 19 ASP N N 19 118.071 118.071 120.535 -2.464 18049
6420 1 15 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.770 0.080 18049
6421 1 15 . 1 1 19 19 ASP CA C 19 50.832 50.832 56.755 -5.923 18049
6422 1 15 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.815 -1.915 18049
6423 1 15 . 1 1 19 19 ASP H H 19 7.770 7.770 8.007 -0.237 18049
6424 1 15 . 1 1 20 20 CYS N N 20 123.265 123.265 120.739 2.526 18049
6425 1 15 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.982 -0.280 18049
6426 1 15 . 1 1 20 20 CYS CA C 20 59.556 59.556 63.147 -3.591 18049
6427 1 15 . 1 1 20 20 CYS CB C 20 28.496 28.496 25.893 2.603 18049
6428 1 15 . 1 1 20 20 CYS H H 20 7.275 7.275 8.197 -0.922 18049
6429 1 15 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.085 -4.185 18049
6430 1 15 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.437 -0.717 18049
6431 1 15 . 1 1 22 22 HIS N N 22 121.576 121.576 117.144 4.432 18049
6432 1 15 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.113 -2.629 18049
6433 1 15 . 1 1 22 22 HIS CB C 22 27.833 27.833 32.730 -4.897 18049
6434 1 15 . 1 1 22 22 HIS H H 22 7.882 7.882 7.362 0.520 18049
6435 1 15 . 1 1 23 23 ILE N N 23 117.100 117.100 119.433 -2.333 18049
6436 1 15 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.383 -0.213 18049
6437 1 15 . 1 1 23 23 ILE CA C 23 57.420 57.420 61.469 -4.050 18049
6438 1 15 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.627 -1.647 18049
6439 1 15 . 1 1 23 23 ILE H H 23 8.660 8.660 8.564 0.096 18049
6440 1 15 . 1 1 24 24 ILE N N 24 126.524 126.524 117.325 9.199 18049
6441 1 15 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.450 -0.500 18049
6442 1 15 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.194 -3.503 18049
6443 1 15 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.540 -1.364 18049
6444 1 15 . 1 1 24 24 ILE H H 24 8.486 8.486 7.363 1.123 18049
6445 1 15 . 1 1 25 25 CYS CA C 25 56.014 56.014 57.826 -1.812 18049
6446 1 15 . 1 1 25 25 CYS CB C 25 27.273 27.273 26.540 0.733 18049
6447 1 15 . 1 1 26 26 SER N N 26 127.811 127.811 121.510 6.301 18049
6448 1 15 . 1 1 26 26 SER HA H 26 4.050 4.050 4.119 -0.069 18049
6449 1 15 . 1 1 26 26 SER CA C 26 58.170 58.170 58.802 -0.632 18049
6450 1 15 . 1 1 26 26 SER CB C 26 60.523 60.523 62.014 -1.491 18049
6451 1 15 . 1 1 26 26 SER H H 26 9.491 9.491 9.210 0.281 18049
6452 1 15 . 1 1 27 27 TYR N N 27 124.378 124.378 115.761 8.617 18049
6453 1 15 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.081 0.444 18049
6454 1 15 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.954 -1.064 18049
6455 1 15 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.123 -0.030 18049
6456 1 15 . 1 1 27 27 TYR H H 27 9.389 9.389 8.407 0.982 18049
6457 1 15 . 1 1 28 28 CYS N N 28 126.900 126.900 118.706 8.194 18049
6458 1 15 . 1 1 28 28 CYS CA C 28 55.921 55.921 60.143 -4.222 18049
6459 1 15 . 1 1 28 28 CYS CB C 28 30.198 30.198 28.061 2.137 18049
6460 1 15 . 1 1 28 28 CYS H H 28 8.490 8.490 7.972 0.518 18049
6461 1 15 . 1 1 29 29 GLY N N 29 113.271 113.271 103.652 9.619 18049
6462 1 15 . 1 1 29 29 GLY CA C 29 43.348 43.348 43.936 -0.588 18049
6463 1 15 . 1 1 29 29 GLY H H 29 7.792 7.792 7.090 0.702 18049
6464 1 15 . 1 1 30 30 ALA N N 30 124.805 124.805 121.335 3.470 18049
6465 1 15 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.300 -0.181 18049
6466 1 15 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.244 -0.104 18049
6467 1 15 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.062 -2.342 18049
6468 1 15 . 1 1 30 30 ALA H H 30 8.541 8.541 8.228 0.313 18049
6469 1 15 . 1 1 31 31 THR N N 31 118.352 118.352 118.197 0.155 18049
6470 1 15 . 1 1 31 31 THR CA C 31 58.082 58.082 64.665 -6.583 18049
6471 1 15 . 1 1 31 31 THR CB C 31 67.072 67.072 68.732 -1.660 18049
6472 1 15 . 1 1 31 31 THR H H 31 8.544 8.544 8.765 -0.221 18049
6473 1 15 . 1 1 32 32 ASP N N 32 123.222 123.222 119.214 4.008 18049
6474 1 15 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.609 -0.566 18049
6475 1 15 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.112 -1.963 18049
6476 1 15 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.223 -4.776 18049
6477 1 15 . 1 1 32 32 ASP H H 32 9.768 9.768 8.328 1.440 18049
6478 1 15 . 1 1 33 33 ASP N N 33 116.889 116.889 118.474 -1.585 18049
6479 1 15 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.505 -1.185 18049
6480 1 15 . 1 1 33 33 ASP CB C 33 43.190 43.190 43.084 0.106 18049
6481 1 15 . 1 1 33 33 ASP H H 33 8.111 8.111 7.911 0.200 18049
6482 1 15 . 1 1 34 34 HIS N N 34 110.849 110.849 119.383 -8.534 18049
6483 1 15 . 1 1 34 34 HIS CA C 34 53.190 53.190 57.444 -4.254 18049
6484 1 15 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.921 6.849 18049
6485 1 15 . 1 1 34 34 HIS H H 34 6.959 6.959 7.718 -0.759 18049
6486 1 15 . 1 1 35 35 TYR N N 35 117.529 117.529 125.520 -7.991 18049
6487 1 15 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.967 -2.830 18049
6488 1 15 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.311 -3.744 18049
6489 1 15 . 1 1 35 35 TYR H H 35 8.813 8.813 7.966 0.847 18049
6490 1 15 . 1 1 36 36 SER N N 36 121.984 121.984 118.621 3.363 18049
6491 1 15 . 1 1 36 36 SER CA C 36 57.520 57.520 60.129 -2.609 18049
6492 1 15 . 1 1 36 36 SER CB C 36 59.800 59.800 63.032 -3.232 18049
6493 1 15 . 1 1 36 36 SER H H 36 8.518 8.518 7.764 0.754 18049
6494 1 15 . 1 1 37 37 ARG N N 37 119.707 119.707 118.041 1.666 18049
6495 1 15 . 1 1 37 37 ARG CA C 37 51.671 51.671 56.154 -4.483 18049
6496 1 15 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.257 -2.164 18049
6497 1 15 . 1 1 37 37 ARG H H 37 7.963 7.963 7.687 0.276 18049
6498 1 15 . 1 1 38 38 HIS N N 38 125.394 125.394 118.642 6.752 18049
6499 1 15 . 1 1 38 38 HIS CA C 38 56.276 56.276 56.478 -0.202 18049
6500 1 15 . 1 1 38 38 HIS H H 38 7.443 7.443 7.854 -0.410 18049
6501 1 15 . 1 1 39 39 CYS HA H 39 4.450 4.450 3.631 0.819 18049
6502 1 15 . 1 1 39 39 CYS CA C 39 51.680 51.680 64.970 -13.290 18049
6503 1 15 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.496 2.744 18049
6504 1 15 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.289 0.021 18049
6505 1 15 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.380 -3.940 18049
6506 1 15 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.619 -1.319 18049
6507 1 15 . 1 1 41 41 LYS N N 41 121.400 121.400 119.271 2.129 18049
6508 1 15 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.411 -0.332 18049
6509 1 15 . 1 1 41 41 LYS CA C 41 53.680 53.680 54.479 -0.799 18049
6510 1 15 . 1 1 41 41 LYS CB C 41 29.641 29.641 30.030 -0.389 18049
6511 1 15 . 1 1 41 41 LYS H H 41 8.650 8.650 7.767 0.883 18049
6512 1 15 . 1 1 42 42 ALA N N 42 122.096 122.096 122.086 0.010 18049
6513 1 15 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.484 -0.965 18049
6514 1 15 . 1 1 42 42 ALA CA C 42 49.591 49.591 51.699 -2.108 18049
6515 1 15 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.229 -3.773 18049
6516 1 15 . 1 1 42 42 ALA H H 42 7.201 7.201 7.410 -0.209 18049
6517 1 15 . 1 1 43 43 ILE N N 43 119.646 119.646 121.022 -1.376 18049
6518 1 15 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.135 -0.404 18049
6519 1 15 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.776 -2.809 18049
6520 1 15 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.164 -1.187 18049
6521 1 15 . 1 1 43 43 ILE H H 43 7.086 7.086 7.930 -0.844 18049
6522 1 15 . 1 1 44 44 GLN N N 44 125.541 125.541 117.753 7.788 18049
6523 1 15 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.525 -0.093 18049
6524 1 15 . 1 1 44 44 GLN CA C 44 51.736 51.736 53.486 -1.750 18049
6525 1 15 . 1 1 44 44 GLN CB C 44 28.084 28.084 32.045 -3.961 18049
6526 1 15 . 1 1 44 44 GLN H H 44 7.980 7.980 7.634 0.346 18049
6527 1 15 . 1 1 45 45 CYS N N 45 130.678 130.678 118.373 12.305 18049
6528 1 15 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.786 -0.666 18049
6529 1 15 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.401 0.929 18049
6530 1 15 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.337 -2.337 18049
6531 1 15 . 1 1 45 45 CYS H H 45 8.353 8.353 8.207 0.146 18049
6532 1 15 . 1 1 46 46 SER N N 46 124.273 124.273 117.936 6.337 18049
6533 1 15 . 1 1 46 46 SER HA H 46 4.334 4.334 4.171 0.163 18049
6534 1 15 . 1 1 46 46 SER CA C 46 56.923 56.923 60.151 -3.228 18049
6535 1 15 . 1 1 46 46 SER CB C 46 60.400 60.400 63.320 -2.920 18049
6536 1 15 . 1 1 46 46 SER H H 46 8.466 8.466 8.544 -0.078 18049
6537 1 15 . 1 1 47 47 LYS N N 47 127.929 127.929 119.666 8.263 18049
6538 1 15 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.012 0.348 18049
6539 1 15 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.772 -1.452 18049
6540 1 15 . 1 1 47 47 LYS CB C 47 31.300 31.300 30.551 0.749 18049
6541 1 15 . 1 1 47 47 LYS H H 47 9.720 9.720 8.948 0.772 18049
6542 1 15 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.660 -0.070 18049
6543 1 15 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.100 -5.600 18049
6544 1 15 . 1 1 48 48 CYS CB C 48 28.100 28.100 31.041 -2.941 18049
6545 1 15 . 1 1 48 48 CYS H H 48 8.600 8.600 7.832 0.768 18049
6546 1 15 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.712 -0.002 18049
6547 1 15 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.290 0.010 18049
6548 1 15 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.699 -0.499 18049
6549 1 15 . 1 1 49 49 ASP H H 49 8.830 8.830 8.563 0.267 18049
6550 1 15 . 1 1 50 50 GLU N N 50 118.700 118.700 117.279 1.421 18049
6551 1 15 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.905 -0.610 18049
6552 1 15 . 1 1 50 50 GLU CA C 50 54.340 54.340 55.029 -0.689 18049
6553 1 15 . 1 1 50 50 GLU CB C 50 28.500 28.500 33.211 -4.711 18049
6554 1 15 . 1 1 50 50 GLU H H 50 8.226 8.226 7.796 0.430 18049
6555 1 15 . 1 1 51 51 VAL N N 51 118.593 118.593 119.841 -1.248 18049
6556 1 15 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.203 0.070 18049
6557 1 15 . 1 1 51 51 VAL CA C 51 59.380 59.380 62.633 -3.252 18049
6558 1 15 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.176 -0.926 18049
6559 1 15 . 1 1 51 51 VAL H H 51 8.216 8.216 8.065 0.151 18049
6560 1 15 . 1 1 52 52 GLY N N 52 110.908 110.908 108.106 2.802 18049
6561 1 15 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.887 -2.197 18049
6562 1 15 . 1 1 52 52 GLY H H 52 8.630 8.630 7.521 1.109 18049
6563 1 15 . 1 1 53 53 HIS N N 53 113.633 113.633 117.143 -3.510 18049
6564 1 15 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.048 0.542 18049
6565 1 15 . 1 1 53 53 HIS CA C 53 52.450 52.450 57.275 -4.825 18049
6566 1 15 . 1 1 53 53 HIS CB C 53 28.040 28.040 28.284 -0.244 18049
6567 1 15 . 1 1 53 53 HIS H H 53 6.855 6.855 8.303 -1.448 18049
6568 1 15 . 1 1 54 54 TYR N N 54 115.154 115.154 117.965 -2.811 18049
6569 1 15 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.753 -0.583 18049
6570 1 15 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.620 -2.820 18049
6571 1 15 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.932 -2.303 18049
6572 1 15 . 1 1 54 54 TYR H H 54 8.054 8.054 8.051 0.003 18049
6573 1 15 . 1 1 55 55 ARG N N 55 126.509 126.509 121.860 4.649 18049
6574 1 15 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.962 -0.363 18049
6575 1 15 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.959 -2.136 18049
6576 1 15 . 1 1 55 55 ARG CB C 55 26.221 26.221 30.453 -4.232 18049
6577 1 15 . 1 1 55 55 ARG H H 55 8.490 8.490 8.872 -0.382 18049
6578 1 15 . 1 1 56 56 SER N N 56 116.450 116.450 118.224 -1.774 18049
6579 1 15 . 1 1 56 56 SER CA C 56 56.523 56.523 58.799 -2.276 18049
6580 1 15 . 1 1 56 56 SER CB C 56 62.261 62.261 62.157 0.104 18049
6581 1 15 . 1 1 56 56 SER H H 56 8.247 8.247 8.944 -0.697 18049
6582 1 15 . 1 1 57 57 GLN N N 57 124.678 124.678 114.690 9.988 18049
6583 1 15 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.213 -0.039 18049
6584 1 15 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.550 -2.940 18049
6585 1 15 . 1 1 57 57 GLN CB C 57 27.060 27.060 26.772 0.288 18049
6586 1 15 . 1 1 57 57 GLN H H 57 8.702 8.702 8.358 0.344 18049
6587 1 15 . 1 1 58 58 CYS N N 58 126.577 126.577 115.460 11.117 18049
6588 1 15 . 1 1 58 58 CYS HA H 58 4.416 4.416 3.542 0.874 18049
6589 1 15 . 1 1 58 58 CYS CA C 58 55.001 55.001 59.235 -4.234 18049
6590 1 15 . 1 1 58 58 CYS CB C 58 31.080 31.080 25.804 5.276 18049
6591 1 15 . 1 1 58 58 CYS H H 58 7.694 7.694 8.166 -0.472 18049
6592 1 15 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.219 3.572 18049
6593 1 15 . 1 1 62 62 TRP CB C 62 27.411 27.411 29.594 -2.183 18049
6594 1 15 . 1 1 63 63 LYS N N 63 121.641 121.641 124.146 -2.505 18049
6595 1 15 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.229 -3.857 18049
6596 1 15 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.845 -5.053 18049
6597 1 15 . 1 1 63 63 LYS H H 63 8.033 8.033 8.375 -0.342 18049
6598 1 15 . 1 1 64 64 LYS N N 64 111.775 111.775 125.645 -13.870 18049
6599 1 15 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.026 -1.283 18049
6600 1 15 . 1 1 64 64 LYS H H 64 8.104 8.104 8.437 -0.333 18049
6601 1 15 . 1 1 65 65 VAL N N 65 122.037 122.037 123.673 -1.636 18049
6602 1 15 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.008 0.032 18049
6603 1 15 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.735 -3.445 18049
6604 1 15 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.442 -3.031 18049
6605 1 15 . 1 1 65 65 VAL H H 65 8.306 8.306 8.324 -0.018 18049
6606 1 15 . 1 1 66 66 GLN N N 66 121.994 121.994 125.654 -3.660 18049
6607 1 15 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.868 -3.265 18049
6608 1 15 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.431 1.869 18049
6609 1 15 . 1 1 66 66 GLN H H 66 8.360 8.360 8.470 -0.110 18049
6610 1 15 . 1 1 67 67 CYS N N 67 121.582 121.582 120.762 0.820 18049
6611 1 15 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.557 -0.518 18049
6612 1 15 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.307 -0.092 18049
6613 1 15 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.505 3.027 18049
6614 1 15 . 1 1 67 67 CYS H H 67 8.032 8.032 8.229 -0.197 18049
6615 1 15 . 1 1 68 68 THR HA H 68 4.046 4.046 3.911 0.135 18049
6616 1 15 . 1 1 68 68 THR CA C 68 61.228 61.228 64.474 -3.245 18049
6617 1 15 . 1 1 68 68 THR CB C 68 65.371 65.371 68.486 -3.115 18049
6618 1 15 . 1 1 69 69 LEU N N 69 124.335 124.335 119.100 5.235 18049
6619 1 15 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.351 0.031 18049
6620 1 15 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.262 -1.833 18049
6621 1 15 . 1 1 69 69 LEU CB C 69 39.790 39.790 42.606 -2.816 18049
6622 1 15 . 1 1 69 69 LEU H H 69 9.024 9.024 7.813 1.211 18049
6623 1 15 . 1 1 70 70 CYS N N 70 118.876 118.876 117.446 1.430 18049
6624 1 15 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.700 -0.364 18049
6625 1 15 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.638 -4.493 18049
6626 1 15 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.676 0.187 18049
6627 1 15 . 1 1 70 70 CYS H H 70 8.716 8.716 7.351 1.365 18049
6628 1 15 . 1 1 71 71 LYS N N 71 122.961 122.961 120.965 1.996 18049
6629 1 15 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.008 0.159 18049
6630 1 15 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.990 -3.155 18049
6631 1 15 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.712 0.808 18049
6632 1 15 . 1 1 71 71 LYS H H 71 8.505 8.505 8.433 0.072 18049
6633 1 15 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.055 -0.817 18049
6634 1 15 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.311 -1.068 18049
6635 1 15 . 1 1 75 75 HIS N N 75 111.915 111.915 122.293 -10.378 18049
6636 1 15 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.540 -0.080 18049
6637 1 15 . 1 1 75 75 HIS CA C 75 52.255 52.255 56.512 -4.257 18049
6638 1 15 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.790 -2.090 18049
6639 1 15 . 1 1 75 75 HIS H H 75 6.732 6.732 8.486 -1.754 18049
6640 1 15 . 1 1 78 78 GLU N N 78 118.980 118.980 120.310 -1.330 18049
6641 1 15 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.970 0.040 18049
6642 1 15 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.680 -2.200 18049
6643 1 15 . 1 1 78 78 GLU CB C 78 34.350 34.350 27.811 6.539 18049
6644 1 15 . 1 1 78 78 GLU H H 78 8.831 8.831 9.229 -0.398 18049
6645 1 15 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.284 -0.003 18049
6646 1 15 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.647 -3.135 18049
6647 1 15 . 1 1 81 81 PRO CB C 81 29.514 29.514 31.976 -2.462 18049
6648 1 15 . 1 1 82 82 SER N N 82 116.172 116.172 113.042 3.130 18049
6649 1 15 . 1 1 82 82 SER HA H 82 4.105 4.105 4.264 -0.159 18049
6650 1 15 . 1 1 82 82 SER CA C 82 58.317 58.317 58.461 -0.144 18049
6651 1 15 . 1 1 82 82 SER CB C 82 60.104 60.104 63.225 -3.121 18049
6652 1 15 . 1 1 82 82 SER H H 82 8.684 8.684 8.470 0.214 18049
6653 1 15 . 1 1 83 83 ILE N N 83 118.847 118.847 116.244 2.603 18049
6654 1 15 . 1 1 83 83 ILE CA C 83 59.168 59.168 59.088 0.080 18049
6655 1 15 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.914 -1.432 18049
6656 1 15 . 1 1 83 83 ILE H H 83 7.424 7.424 7.040 0.384 18049
6657 1 15 . 1 1 84 84 TRP N N 84 115.140 115.140 121.443 -6.303 18049
6658 1 15 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.777 -2.184 18049
6659 1 15 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.972 -5.104 18049
6660 1 15 . 1 1 84 84 TRP H H 84 8.131 8.131 8.149 -0.018 18049
6661 1 15 . 1 1 85 85 ARG N N 85 118.936 118.936 121.981 -3.045 18049
6662 1 15 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.761 -4.543 18049
6663 1 15 . 1 1 85 85 ARG CB C 85 29.330 29.330 33.298 -3.968 18049
6664 1 15 . 1 1 85 85 ARG H H 85 7.884 7.884 8.519 -0.635 18049
6665 1 15 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.077 -0.107 18049
6666 1 15 . 1 1 86 86 ALA CA C 86 50.020 50.020 53.033 -3.013 18049
6667 1 15 . 1 1 86 86 ALA CB C 86 16.400 16.400 17.992 -1.592 18049
6668 1 15 . 1 1 87 87 TYR N N 87 117.965 117.965 116.129 1.836 18049
6669 1 15 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.449 0.007 18049
6670 1 15 . 1 1 87 87 TYR CA C 87 54.928 54.928 58.197 -3.268 18049
6671 1 15 . 1 1 87 87 TYR CB C 87 40.012 40.012 38.864 1.148 18049
6672 1 15 . 1 1 87 87 TYR H H 87 7.733 7.733 7.608 0.125 18049
6673 1 15 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.960 0.681 18049
6674 1 15 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.328 -5.529 18049
6675 1 15 . 1 1 90 90 VAL N N 90 118.969 118.969 122.192 -3.223 18049
6676 1 15 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.742 -2.632 18049
6677 1 15 . 1 1 90 90 VAL CB C 90 30.127 30.127 31.838 -1.711 18049
6678 1 15 . 1 1 90 90 VAL H H 90 8.944 8.944 8.394 0.550 18049
6679 1 15 . 1 1 91 91 ASP N N 91 127.947 127.947 120.518 7.429 18049
6680 1 15 . 1 1 91 91 ASP CA C 91 49.968 49.968 55.230 -5.262 18049
6681 1 15 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.158 -2.296 18049
6682 1 15 . 1 1 91 91 ASP H H 91 8.320 8.320 8.414 -0.094 18049
6683 1 15 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.531 -1.513 18049
6684 1 15 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.112 -3.665 18049
6685 1 15 . 1 1 93 93 ASN N N 93 118.727 118.727 120.747 -2.020 18049
6686 1 15 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.752 -1.599 18049
6687 1 15 . 1 1 93 93 ASN CB C 93 36.371 36.371 40.450 -4.079 18049
6688 1 15 . 1 1 93 93 ASN H H 93 8.396 8.396 8.373 0.023 18049
6689 1 15 . 1 1 94 94 GLU N N 94 120.824 120.824 121.215 -0.391 18049
6690 1 15 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.026 -1.637 18049
6691 1 15 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.445 -3.175 18049
6692 1 15 . 1 1 94 94 GLU H H 94 8.266 8.266 8.590 -0.324 18049
6693 1 15 . 1 1 95 95 LYS N N 95 121.079 121.079 123.307 -2.228 18049
6694 1 15 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.469 -0.313 18049
6695 1 15 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.486 -1.645 18049
6696 1 15 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.662 -3.489 18049
6697 1 15 . 1 1 95 95 LYS H H 95 8.055 8.055 8.259 -0.204 18049
6698 1 15 . 1 1 96 96 ALA N N 96 124.103 124.103 124.494 -0.391 18049
6699 1 15 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.384 -0.182 18049
6700 1 15 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.730 -2.003 18049
6701 1 15 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.102 -2.350 18049
6702 1 15 . 1 1 96 96 ALA H H 96 8.053 8.053 8.395 -0.342 18049
6703 1 15 . 1 1 97 97 LYS N N 97 121.893 121.893 121.010 0.883 18049
6704 1 15 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.287 0.598 18049
6705 1 15 . 1 1 97 97 LYS CA C 97 51.459 51.459 55.480 -4.021 18049
6706 1 15 . 1 1 97 97 LYS H H 97 8.091 8.091 8.308 -0.217 18049
6707 1 15 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.410 0.026 18049
6708 1 15 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.010 -2.985 18049
6709 1 15 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.067 -2.525 18049
6710 1 15 . 1 1 99 99 LYS N N 99 121.497 121.497 122.528 -1.031 18049
6711 1 15 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.188 0.177 18049
6712 1 15 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.666 -4.007 18049
6713 1 15 . 1 1 99 99 LYS CB C 99 31.973 31.973 32.699 -0.726 18049
6714 1 15 . 1 1 99 99 LYS H H 99 8.241 8.241 8.207 0.034 18049
6715 1 15 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.184 0.083 18049
6716 1 15 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.250 -1.847 18049
6717 1 15 . 1 1 102 102 PRO CB C 102 29.457 29.457 31.639 -2.182 18049
6718 1 15 . 1 1 103 103 PHE N N 103 118.755 118.755 118.379 0.376 18049
6719 1 15 . 1 1 103 103 PHE CA C 103 56.059 56.059 56.840 -0.781 18049
6720 1 15 . 1 1 103 103 PHE H H 103 8.675 8.675 7.325 1.350 18049
6721 1 15 . 1 1 105 105 THR HA H 105 4.630 4.630 4.556 0.074 18049
6722 1 15 . 1 1 105 105 THR CA C 105 59.356 59.356 62.095 -2.739 18049
6723 1 15 . 1 1 105 105 THR CB C 105 67.299 67.299 69.670 -2.371 18049
6724 1 15 . 1 1 106 106 ILE N N 106 124.035 124.035 124.135 -0.100 18049
6725 1 15 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.114 0.517 18049
6726 1 15 . 1 1 106 106 ILE CA C 106 57.730 57.730 61.261 -3.531 18049
6727 1 15 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.641 -1.734 18049
6728 1 15 . 1 1 106 106 ILE H H 106 7.833 7.833 8.272 -0.439 18049
6729 1 15 . 1 1 107 107 TYR N N 107 118.339 118.339 123.632 -5.293 18049
6730 1 15 . 1 1 107 107 TYR HA H 107 4.540 4.540 5.194 -0.654 18049
6731 1 15 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.002 -0.174 18049
6732 1 15 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.465 -3.225 18049
6733 1 15 . 1 1 107 107 TYR H H 107 8.925 8.925 7.730 1.195 18049
6734 1 15 . 1 1 108 108 CYS N N 108 130.380 130.380 121.993 8.387 18049
6735 1 15 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.839 -0.719 18049
6736 1 15 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.049 -1.099 18049
6737 1 15 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.559 -0.659 18049
6738 1 15 . 1 1 108 108 CYS H H 108 8.335 8.335 8.793 -0.458 18049
6739 1 15 . 1 1 109 109 TYR N N 109 126.618 126.618 121.109 5.509 18049
6740 1 15 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.376 0.024 18049
6741 1 15 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.676 -3.406 18049
6742 1 15 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.127 -2.627 18049
6743 1 15 . 1 1 109 109 TYR H H 109 8.011 8.011 8.757 -0.746 18049
6744 1 15 . 1 1 110 110 ASN N N 110 125.398 125.398 119.618 5.780 18049
6745 1 15 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.322 0.480 18049
6746 1 15 . 1 1 110 110 ASN CA C 110 53.569 53.569 55.507 -1.938 18049
6747 1 15 . 1 1 110 110 ASN CB C 110 37.922 37.922 37.785 0.137 18049
6748 1 15 . 1 1 110 110 ASN H H 110 9.284 9.284 8.266 1.018 18049
6749 1 15 . 1 1 111 111 CYS N N 111 118.921 118.921 115.181 3.740 18049
6750 1 15 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.830 0.080 18049
6751 1 15 . 1 1 111 111 CYS CA C 111 55.986 55.986 57.813 -1.827 18049
6752 1 15 . 1 1 111 111 CYS CB C 111 30.172 30.172 28.275 1.897 18049
6753 1 15 . 1 1 111 111 CYS H H 111 9.171 9.171 7.644 1.527 18049
6754 1 15 . 1 1 112 112 GLY N N 112 114.064 114.064 111.150 2.914 18049
6755 1 15 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.161 -1.880 18049
6756 1 15 . 1 1 112 112 GLY H H 112 7.840 7.840 7.803 0.037 18049
6757 1 15 . 1 1 113 113 GLY N N 113 112.541 112.541 109.229 3.312 18049
6758 1 15 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.606 -3.413 18049
6759 1 15 . 1 1 113 113 GLY H H 113 9.023 9.023 8.360 0.663 18049
6760 1 15 . 1 1 114 114 LYS N N 114 119.130 119.130 119.425 -0.295 18049
6761 1 15 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.465 -0.205 18049
6762 1 15 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.265 -4.515 18049
6763 1 15 . 1 1 114 114 LYS CB C 114 31.680 31.680 33.076 -1.396 18049
6764 1 15 . 1 1 114 114 LYS H H 114 8.200 8.200 8.612 -0.412 18049
6765 1 15 . 1 1 115 115 GLY N N 115 108.864 108.864 107.392 1.472 18049
6766 1 15 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.167 -2.094 18049
6767 1 15 . 1 1 115 115 GLY H H 115 8.501 8.501 8.011 0.490 18049
6768 1 15 . 1 1 116 116 HIS N N 116 113.173 113.173 118.809 -5.636 18049
6769 1 15 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.688 -0.257 18049
6770 1 15 . 1 1 116 116 HIS CA C 116 52.400 52.400 56.208 -3.808 18049
6771 1 15 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.649 -3.119 18049
6772 1 15 . 1 1 116 116 HIS H H 116 6.665 6.665 8.226 -1.561 18049
6773 1 15 . 1 1 117 117 PHE N N 117 116.353 116.353 122.671 -6.318 18049
6774 1 15 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.815 -0.135 18049
6775 1 15 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.794 -2.710 18049
6776 1 15 . 1 1 117 117 PHE CB C 117 38.264 38.264 39.361 -1.097 18049
6777 1 15 . 1 1 117 117 PHE H H 117 8.529 8.529 7.432 1.097 18049
6778 1 15 . 1 1 118 118 GLY N N 118 108.977 108.977 110.441 -1.464 18049
6779 1 15 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.822 -1.461 18049
6780 1 15 . 1 1 118 118 GLY H H 118 8.870 8.870 8.344 0.526 18049
6781 1 15 . 1 1 119 119 ASP N N 119 117.997 117.997 119.512 -1.515 18049
6782 1 15 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.315 0.029 18049
6783 1 15 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.082 -2.578 18049
6784 1 15 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.789 -2.979 18049
6785 1 15 . 1 1 119 119 ASP H H 119 7.892 7.892 8.035 -0.143 18049
6786 1 15 . 1 1 120 120 ASP N N 120 116.782 116.782 116.694 0.088 18049
6787 1 15 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.665 0.190 18049
6788 1 15 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.347 -3.662 18049
6789 1 15 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.587 -2.388 18049
6790 1 15 . 1 1 120 120 ASP H H 120 7.730 7.730 7.650 0.080 18049
6791 1 15 . 1 1 121 121 CYS N N 121 125.836 125.836 119.802 6.034 18049
6792 1 15 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.426 0.354 18049
6793 1 15 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.367 -3.300 18049
6794 1 15 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.785 0.415 18049
6795 1 15 . 1 1 121 121 CYS H H 121 7.667 7.667 8.004 -0.337 18049
6796 1 16 . 1 1 3 3 ALA N N 3 125.353 125.353 124.887 0.466 18049
6797 1 16 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.538 -0.343 18049
6798 1 16 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.918 -2.340 18049
6799 1 16 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.962 -2.151 18049
6800 1 16 . 1 1 3 3 ALA H H 3 8.182 8.182 8.668 -0.486 18049
6801 1 16 . 1 1 4 4 ALA N N 4 124.707 124.707 129.354 -4.647 18049
6802 1 16 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.269 0.191 18049
6803 1 16 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.118 -5.358 18049
6804 1 16 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.416 -1.618 18049
6805 1 16 . 1 1 4 4 ALA H H 4 8.151 8.151 8.996 -0.845 18049
6806 1 16 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.389 0.081 18049
6807 1 16 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.302 -3.982 18049
6808 1 16 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.906 -2.106 18049
6809 1 16 . 1 1 6 6 LYS N N 6 121.400 121.400 118.950 2.450 18049
6810 1 16 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.972 0.291 18049
6811 1 16 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.848 -5.218 18049
6812 1 16 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.582 0.418 18049
6813 1 16 . 1 1 6 6 LYS H H 6 8.230 8.230 8.672 -0.442 18049
6814 1 16 . 1 1 7 7 CYS N N 7 128.995 128.995 115.947 13.048 18049
6815 1 16 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.869 -0.755 18049
6816 1 16 . 1 1 7 7 CYS CA C 7 57.020 57.020 56.648 0.372 18049
6817 1 16 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.589 -2.869 18049
6818 1 16 . 1 1 7 7 CYS H H 7 8.354 8.354 8.140 0.214 18049
6819 1 16 . 1 1 8 8 ASN N N 8 127.325 127.325 122.439 4.886 18049
6820 1 16 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.563 0.142 18049
6821 1 16 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.443 -3.533 18049
6822 1 16 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.728 -2.798 18049
6823 1 16 . 1 1 8 8 ASN H H 8 8.659 8.659 8.799 -0.140 18049
6824 1 16 . 1 1 9 9 ASN N N 9 122.394 122.394 116.903 5.491 18049
6825 1 16 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.730 0.070 18049
6826 1 16 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.883 -0.571 18049
6827 1 16 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.343 -1.468 18049
6828 1 16 . 1 1 9 9 ASN H H 9 9.861 9.861 7.844 2.017 18049
6829 1 16 . 1 1 10 10 CYS N N 10 117.508 117.508 121.541 -4.033 18049
6830 1 16 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.633 0.072 18049
6831 1 16 . 1 1 10 10 CYS CA C 10 56.350 56.350 57.152 -0.802 18049
6832 1 16 . 1 1 10 10 CYS CB C 10 29.540 29.540 26.553 2.987 18049
6833 1 16 . 1 1 10 10 CYS H H 10 8.814 8.814 8.001 0.813 18049
6834 1 16 . 1 1 11 11 SER N N 11 115.934 115.934 119.123 -3.189 18049
6835 1 16 . 1 1 11 11 SER HA H 11 4.150 4.150 4.126 0.024 18049
6836 1 16 . 1 1 11 11 SER CA C 11 58.769 58.769 59.773 -1.004 18049
6837 1 16 . 1 1 11 11 SER CB C 11 59.635 59.635 62.821 -3.186 18049
6838 1 16 . 1 1 11 11 SER H H 11 7.821 7.821 7.899 -0.078 18049
6839 1 16 . 1 1 12 12 GLN N N 12 120.325 120.325 121.766 -1.441 18049
6840 1 16 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.392 -0.031 18049
6841 1 16 . 1 1 12 12 GLN CA C 12 52.870 52.870 54.153 -1.283 18049
6842 1 16 . 1 1 12 12 GLN CB C 12 27.913 27.913 33.068 -5.155 18049
6843 1 16 . 1 1 12 12 GLN H H 12 8.311 8.311 7.990 0.321 18049
6844 1 16 . 1 1 13 13 ARG N N 13 118.657 118.657 121.421 -2.764 18049
6845 1 16 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.305 0.063 18049
6846 1 16 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.956 -2.926 18049
6847 1 16 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.379 1.921 18049
6848 1 16 . 1 1 13 13 ARG H H 13 8.430 8.430 8.471 -0.041 18049
6849 1 16 . 1 1 14 14 GLY N N 14 107.015 107.015 110.660 -3.645 18049
6850 1 16 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.174 -2.444 18049
6851 1 16 . 1 1 14 14 GLY H H 14 8.706 8.706 8.857 -0.150 18049
6852 1 16 . 1 1 15 15 HIS N N 15 113.397 113.397 118.994 -5.597 18049
6853 1 16 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.936 -0.336 18049
6854 1 16 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.495 -1.059 18049
6855 1 16 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.986 -1.099 18049
6856 1 16 . 1 1 15 15 HIS H H 15 6.998 6.998 7.813 -0.815 18049
6857 1 16 . 1 1 16 16 LEU N N 16 117.239 117.239 120.601 -3.362 18049
6858 1 16 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.431 0.154 18049
6859 1 16 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.510 -3.981 18049
6860 1 16 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.659 -0.463 18049
6861 1 16 . 1 1 16 16 LEU H H 16 8.614 8.614 7.959 0.655 18049
6862 1 16 . 1 1 17 17 LYS N N 17 122.561 122.561 121.307 1.254 18049
6863 1 16 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.996 0.784 18049
6864 1 16 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.804 -2.040 18049
6865 1 16 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.615 -1.814 18049
6866 1 16 . 1 1 17 17 LYS H H 17 8.681 8.681 8.642 0.039 18049
6867 1 16 . 1 1 18 18 LYS N N 18 117.626 117.626 113.006 4.620 18049
6868 1 16 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.172 -0.068 18049
6869 1 16 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.361 -2.542 18049
6870 1 16 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.990 -3.235 18049
6871 1 16 . 1 1 18 18 LYS H H 18 8.320 8.320 8.116 0.204 18049
6872 1 16 . 1 1 19 19 ASP N N 19 118.071 118.071 119.453 -1.382 18049
6873 1 16 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.739 0.111 18049
6874 1 16 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.202 -4.370 18049
6875 1 16 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.757 -1.857 18049
6876 1 16 . 1 1 19 19 ASP H H 19 7.770 7.770 7.718 0.052 18049
6877 1 16 . 1 1 20 20 CYS N N 20 123.265 123.265 120.708 2.557 18049
6878 1 16 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.355 -0.653 18049
6879 1 16 . 1 1 20 20 CYS CA C 20 59.556 59.556 57.544 2.013 18049
6880 1 16 . 1 1 20 20 CYS CB C 20 28.496 28.496 28.611 -0.115 18049
6881 1 16 . 1 1 20 20 CYS H H 20 7.275 7.275 7.778 -0.503 18049
6882 1 16 . 1 1 21 21 PRO CA C 21 58.900 58.900 62.417 -3.517 18049
6883 1 16 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.188 -1.468 18049
6884 1 16 . 1 1 22 22 HIS N N 22 121.576 121.576 118.486 3.090 18049
6885 1 16 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.156 -3.672 18049
6886 1 16 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.434 -2.601 18049
6887 1 16 . 1 1 22 22 HIS H H 22 7.882 7.882 8.020 -0.138 18049
6888 1 16 . 1 1 23 23 ILE N N 23 117.100 117.100 122.966 -5.866 18049
6889 1 16 . 1 1 23 23 ILE HA H 23 4.170 4.170 3.991 0.179 18049
6890 1 16 . 1 1 23 23 ILE CA C 23 57.420 57.420 62.515 -5.095 18049
6891 1 16 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.319 -1.339 18049
6892 1 16 . 1 1 23 23 ILE H H 23 8.660 8.660 8.449 0.211 18049
6893 1 16 . 1 1 24 24 ILE N N 24 126.524 126.524 116.836 9.688 18049
6894 1 16 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.572 0.378 18049
6895 1 16 . 1 1 24 24 ILE CA C 24 56.690 56.690 63.731 -7.041 18049
6896 1 16 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.495 -0.319 18049
6897 1 16 . 1 1 24 24 ILE H H 24 8.486 8.486 8.214 0.272 18049
6898 1 16 . 1 1 25 25 CYS CA C 25 56.014 56.014 58.243 -2.229 18049
6899 1 16 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.500 -1.227 18049
6900 1 16 . 1 1 26 26 SER N N 26 127.811 127.811 122.913 4.898 18049
6901 1 16 . 1 1 26 26 SER HA H 26 4.050 4.050 4.122 -0.071 18049
6902 1 16 . 1 1 26 26 SER CA C 26 58.170 58.170 59.733 -1.563 18049
6903 1 16 . 1 1 26 26 SER CB C 26 60.523 60.523 61.731 -1.208 18049
6904 1 16 . 1 1 26 26 SER H H 26 9.491 9.491 8.877 0.614 18049
6905 1 16 . 1 1 27 27 TYR N N 27 124.378 124.378 116.555 7.823 18049
6906 1 16 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.150 0.375 18049
6907 1 16 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.432 -1.542 18049
6908 1 16 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.210 -0.117 18049
6909 1 16 . 1 1 27 27 TYR H H 27 9.389 9.389 8.375 1.014 18049
6910 1 16 . 1 1 28 28 CYS N N 28 126.900 126.900 117.887 9.013 18049
6911 1 16 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.496 -2.575 18049
6912 1 16 . 1 1 28 28 CYS CB C 28 30.198 30.198 30.386 -0.188 18049
6913 1 16 . 1 1 28 28 CYS H H 28 8.490 8.490 7.266 1.224 18049
6914 1 16 . 1 1 29 29 GLY N N 29 113.271 113.271 108.828 4.443 18049
6915 1 16 . 1 1 29 29 GLY CA C 29 43.348 43.348 45.280 -1.932 18049
6916 1 16 . 1 1 29 29 GLY H H 29 7.792 7.792 8.320 -0.528 18049
6917 1 16 . 1 1 30 30 ALA N N 30 124.805 124.805 123.319 1.486 18049
6918 1 16 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.501 -0.382 18049
6919 1 16 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.382 -0.242 18049
6920 1 16 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.325 -2.605 18049
6921 1 16 . 1 1 30 30 ALA H H 30 8.541 8.541 8.479 0.062 18049
6922 1 16 . 1 1 31 31 THR N N 31 118.352 118.352 114.938 3.414 18049
6923 1 16 . 1 1 31 31 THR CA C 31 58.082 58.082 63.910 -5.828 18049
6924 1 16 . 1 1 31 31 THR CB C 31 67.072 67.072 69.336 -2.264 18049
6925 1 16 . 1 1 31 31 THR H H 31 8.544 8.544 7.624 0.920 18049
6926 1 16 . 1 1 32 32 ASP N N 32 123.222 123.222 122.626 0.596 18049
6927 1 16 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.236 -0.193 18049
6928 1 16 . 1 1 32 32 ASP CA C 32 53.149 53.149 56.754 -3.605 18049
6929 1 16 . 1 1 32 32 ASP CB C 32 36.447 36.447 40.712 -4.266 18049
6930 1 16 . 1 1 32 32 ASP H H 32 9.768 9.768 8.817 0.951 18049
6931 1 16 . 1 1 33 33 ASP N N 33 116.889 116.889 122.285 -5.396 18049
6932 1 16 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.450 -0.130 18049
6933 1 16 . 1 1 33 33 ASP CB C 33 43.190 43.190 40.158 3.032 18049
6934 1 16 . 1 1 33 33 ASP H H 33 8.111 8.111 8.120 -0.009 18049
6935 1 16 . 1 1 34 34 HIS N N 34 110.849 110.849 121.619 -10.770 18049
6936 1 16 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.340 -3.150 18049
6937 1 16 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.752 6.019 18049
6938 1 16 . 1 1 34 34 HIS H H 34 6.959 6.959 7.602 -0.643 18049
6939 1 16 . 1 1 35 35 TYR N N 35 117.529 117.529 123.436 -5.907 18049
6940 1 16 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.801 -2.664 18049
6941 1 16 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.702 -4.135 18049
6942 1 16 . 1 1 35 35 TYR H H 35 8.813 8.813 8.086 0.727 18049
6943 1 16 . 1 1 36 36 SER N N 36 121.984 121.984 119.045 2.939 18049
6944 1 16 . 1 1 36 36 SER CA C 36 57.520 57.520 59.723 -2.203 18049
6945 1 16 . 1 1 36 36 SER CB C 36 59.800 59.800 63.239 -3.438 18049
6946 1 16 . 1 1 36 36 SER H H 36 8.518 8.518 7.636 0.882 18049
6947 1 16 . 1 1 37 37 ARG N N 37 119.707 119.707 119.874 -0.167 18049
6948 1 16 . 1 1 37 37 ARG CA C 37 51.671 51.671 58.041 -6.370 18049
6949 1 16 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.207 -3.115 18049
6950 1 16 . 1 1 37 37 ARG H H 37 7.963 7.963 7.887 0.076 18049
6951 1 16 . 1 1 38 38 HIS N N 38 125.394 125.394 115.616 9.778 18049
6952 1 16 . 1 1 38 38 HIS CA C 38 56.276 56.276 57.488 -1.212 18049
6953 1 16 . 1 1 38 38 HIS H H 38 7.443 7.443 7.720 -0.277 18049
6954 1 16 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.233 0.217 18049
6955 1 16 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.855 -12.175 18049
6956 1 16 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.369 2.871 18049
6957 1 16 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.397 -0.087 18049
6958 1 16 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.982 -4.542 18049
6959 1 16 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.639 -1.339 18049
6960 1 16 . 1 1 41 41 LYS N N 41 121.400 121.400 118.687 2.713 18049
6961 1 16 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.145 -0.066 18049
6962 1 16 . 1 1 41 41 LYS CA C 41 53.680 53.680 57.722 -4.042 18049
6963 1 16 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.291 -1.651 18049
6964 1 16 . 1 1 41 41 LYS H H 41 8.650 8.650 7.496 1.154 18049
6965 1 16 . 1 1 42 42 ALA N N 42 122.096 122.096 120.934 1.162 18049
6966 1 16 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.359 -0.840 18049
6967 1 16 . 1 1 42 42 ALA CA C 42 49.591 49.591 53.466 -3.875 18049
6968 1 16 . 1 1 42 42 ALA CB C 42 16.456 16.456 19.620 -3.164 18049
6969 1 16 . 1 1 42 42 ALA H H 42 7.201 7.201 7.700 -0.499 18049
6970 1 16 . 1 1 43 43 ILE N N 43 119.646 119.646 120.566 -0.920 18049
6971 1 16 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.292 -0.561 18049
6972 1 16 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.573 -2.607 18049
6973 1 16 . 1 1 43 43 ILE CB C 43 35.977 35.977 36.432 -0.455 18049
6974 1 16 . 1 1 43 43 ILE H H 43 7.086 7.086 7.355 -0.269 18049
6975 1 16 . 1 1 44 44 GLN N N 44 125.541 125.541 118.471 7.070 18049
6976 1 16 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.709 -0.277 18049
6977 1 16 . 1 1 44 44 GLN CA C 44 51.736 51.736 55.216 -3.480 18049
6978 1 16 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.350 -3.266 18049
6979 1 16 . 1 1 44 44 GLN H H 44 7.980 7.980 7.589 0.391 18049
6980 1 16 . 1 1 45 45 CYS N N 45 130.678 130.678 119.229 11.449 18049
6981 1 16 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.882 -0.762 18049
6982 1 16 . 1 1 45 45 CYS CA C 45 57.330 57.330 56.969 0.361 18049
6983 1 16 . 1 1 45 45 CYS CB C 45 28.000 28.000 31.995 -3.995 18049
6984 1 16 . 1 1 45 45 CYS H H 45 8.353 8.353 8.159 0.194 18049
6985 1 16 . 1 1 46 46 SER N N 46 124.273 124.273 116.435 7.838 18049
6986 1 16 . 1 1 46 46 SER HA H 46 4.334 4.334 4.348 -0.014 18049
6987 1 16 . 1 1 46 46 SER CA C 46 56.923 56.923 60.886 -3.963 18049
6988 1 16 . 1 1 46 46 SER CB C 46 60.400 60.400 63.412 -3.012 18049
6989 1 16 . 1 1 46 46 SER H H 46 8.466 8.466 8.614 -0.148 18049
6990 1 16 . 1 1 47 47 LYS N N 47 127.929 127.929 121.872 6.057 18049
6991 1 16 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.312 0.048 18049
6992 1 16 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.873 -0.553 18049
6993 1 16 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.171 -1.871 18049
6994 1 16 . 1 1 47 47 LYS H H 47 9.720 9.720 8.513 1.207 18049
6995 1 16 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.790 -0.200 18049
6996 1 16 . 1 1 48 48 CYS CA C 48 51.500 51.500 56.444 -4.944 18049
6997 1 16 . 1 1 48 48 CYS CB C 48 28.100 28.100 31.136 -3.036 18049
6998 1 16 . 1 1 48 48 CYS H H 48 8.600 8.600 7.693 0.907 18049
6999 1 16 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.582 0.128 18049
7000 1 16 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.270 0.030 18049
7001 1 16 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.693 -0.493 18049
7002 1 16 . 1 1 49 49 ASP H H 49 8.830 8.830 8.456 0.374 18049
7003 1 16 . 1 1 50 50 GLU N N 50 118.700 118.700 113.174 5.526 18049
7004 1 16 . 1 1 50 50 GLU HA H 50 4.295 4.295 3.988 0.307 18049
7005 1 16 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.996 -3.656 18049
7006 1 16 . 1 1 50 50 GLU CB C 50 28.500 28.500 28.341 0.159 18049
7007 1 16 . 1 1 50 50 GLU H H 50 8.226 8.226 8.811 -0.585 18049
7008 1 16 . 1 1 51 51 VAL N N 51 118.593 118.593 112.619 5.974 18049
7009 1 16 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.364 -0.091 18049
7010 1 16 . 1 1 51 51 VAL CA C 51 59.380 59.380 60.463 -1.083 18049
7011 1 16 . 1 1 51 51 VAL CB C 51 30.250 30.250 34.632 -4.382 18049
7012 1 16 . 1 1 51 51 VAL H H 51 8.216 8.216 7.141 1.075 18049
7013 1 16 . 1 1 52 52 GLY N N 52 110.908 110.908 110.473 0.435 18049
7014 1 16 . 1 1 52 52 GLY CA C 52 42.690 42.690 43.390 -0.700 18049
7015 1 16 . 1 1 52 52 GLY H H 52 8.630 8.630 8.198 0.432 18049
7016 1 16 . 1 1 53 53 HIS N N 53 113.633 113.633 120.008 -6.375 18049
7017 1 16 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.358 0.232 18049
7018 1 16 . 1 1 53 53 HIS CA C 53 52.450 52.450 56.476 -4.026 18049
7019 1 16 . 1 1 53 53 HIS CB C 53 28.040 28.040 28.095 -0.055 18049
7020 1 16 . 1 1 53 53 HIS H H 53 6.855 6.855 8.601 -1.746 18049
7021 1 16 . 1 1 54 54 TYR N N 54 115.154 115.154 121.838 -6.684 18049
7022 1 16 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.647 -0.477 18049
7023 1 16 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.341 -2.541 18049
7024 1 16 . 1 1 54 54 TYR CB C 54 36.629 36.629 41.829 -5.200 18049
7025 1 16 . 1 1 54 54 TYR H H 54 8.054 8.054 8.334 -0.280 18049
7026 1 16 . 1 1 55 55 ARG N N 55 126.509 126.509 122.729 3.780 18049
7027 1 16 . 1 1 55 55 ARG HA H 55 3.599 3.599 4.157 -0.558 18049
7028 1 16 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.688 -1.865 18049
7029 1 16 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.844 -3.623 18049
7030 1 16 . 1 1 55 55 ARG H H 55 8.490 8.490 8.861 -0.371 18049
7031 1 16 . 1 1 56 56 SER N N 56 116.450 116.450 111.635 4.815 18049
7032 1 16 . 1 1 56 56 SER CA C 56 56.523 56.523 60.910 -4.387 18049
7033 1 16 . 1 1 56 56 SER CB C 56 62.261 62.261 62.619 -0.358 18049
7034 1 16 . 1 1 56 56 SER H H 56 8.247 8.247 8.775 -0.528 18049
7035 1 16 . 1 1 57 57 GLN N N 57 124.678 124.678 119.890 4.788 18049
7036 1 16 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.425 -0.251 18049
7037 1 16 . 1 1 57 57 GLN CA C 57 53.610 53.610 58.079 -4.469 18049
7038 1 16 . 1 1 57 57 GLN CB C 57 27.060 27.060 29.963 -2.903 18049
7039 1 16 . 1 1 57 57 GLN H H 57 8.702 8.702 7.681 1.021 18049
7040 1 16 . 1 1 58 58 CYS N N 58 126.577 126.577 117.344 9.233 18049
7041 1 16 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.501 -0.085 18049
7042 1 16 . 1 1 58 58 CYS CA C 58 55.001 55.001 57.999 -2.998 18049
7043 1 16 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.374 3.706 18049
7044 1 16 . 1 1 58 58 CYS H H 58 7.694 7.694 8.177 -0.483 18049
7045 1 16 . 1 1 62 62 TRP CA C 62 59.791 59.791 55.640 4.151 18049
7046 1 16 . 1 1 62 62 TRP CB C 62 27.411 27.411 27.947 -0.536 18049
7047 1 16 . 1 1 63 63 LYS N N 63 121.641 121.641 118.305 3.336 18049
7048 1 16 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.830 -4.458 18049
7049 1 16 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.699 -4.907 18049
7050 1 16 . 1 1 63 63 LYS H H 63 8.033 8.033 7.599 0.434 18049
7051 1 16 . 1 1 64 64 LYS N N 64 111.775 111.775 122.296 -10.521 18049
7052 1 16 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.454 -1.711 18049
7053 1 16 . 1 1 64 64 LYS H H 64 8.104 8.104 7.541 0.563 18049
7054 1 16 . 1 1 65 65 VAL N N 65 122.037 122.037 127.455 -5.418 18049
7055 1 16 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.213 -0.173 18049
7056 1 16 . 1 1 65 65 VAL CA C 65 59.290 59.290 61.909 -2.619 18049
7057 1 16 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.590 -3.179 18049
7058 1 16 . 1 1 65 65 VAL H H 65 8.306 8.306 8.851 -0.545 18049
7059 1 16 . 1 1 66 66 GLN N N 66 121.994 121.994 126.184 -4.190 18049
7060 1 16 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.092 -3.489 18049
7061 1 16 . 1 1 66 66 GLN CB C 66 30.300 30.300 29.169 1.131 18049
7062 1 16 . 1 1 66 66 GLN H H 66 8.360 8.360 8.744 -0.384 18049
7063 1 16 . 1 1 67 67 CYS N N 67 121.582 121.582 115.701 5.881 18049
7064 1 16 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.423 -0.384 18049
7065 1 16 . 1 1 67 67 CYS CA C 67 59.215 59.215 60.304 -1.089 18049
7066 1 16 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.422 3.110 18049
7067 1 16 . 1 1 67 67 CYS H H 67 8.032 8.032 8.460 -0.428 18049
7068 1 16 . 1 1 68 68 THR HA H 68 4.046 4.046 3.893 0.153 18049
7069 1 16 . 1 1 68 68 THR CA C 68 61.228 61.228 65.603 -4.375 18049
7070 1 16 . 1 1 68 68 THR CB C 68 65.371 65.371 67.969 -2.598 18049
7071 1 16 . 1 1 69 69 LEU N N 69 124.335 124.335 118.937 5.398 18049
7072 1 16 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.662 -0.280 18049
7073 1 16 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.968 -2.539 18049
7074 1 16 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.844 -2.054 18049
7075 1 16 . 1 1 69 69 LEU H H 69 9.024 9.024 7.706 1.318 18049
7076 1 16 . 1 1 70 70 CYS N N 70 118.876 118.876 120.700 -1.824 18049
7077 1 16 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.614 -0.278 18049
7078 1 16 . 1 1 70 70 CYS CA C 70 53.145 53.145 59.482 -6.337 18049
7079 1 16 . 1 1 70 70 CYS CB C 70 29.863 29.863 28.907 0.956 18049
7080 1 16 . 1 1 70 70 CYS H H 70 8.716 8.716 7.958 0.758 18049
7081 1 16 . 1 1 71 71 LYS N N 71 122.961 122.961 123.652 -0.691 18049
7082 1 16 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.493 -0.326 18049
7083 1 16 . 1 1 71 71 LYS CA C 71 53.835 53.835 55.393 -1.558 18049
7084 1 16 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.569 0.951 18049
7085 1 16 . 1 1 71 71 LYS H H 71 8.505 8.505 8.660 -0.155 18049
7086 1 16 . 1 1 74 74 LYS CA C 74 56.238 56.238 55.423 0.815 18049
7087 1 16 . 1 1 74 74 LYS CB C 74 31.243 31.243 33.776 -2.533 18049
7088 1 16 . 1 1 75 75 HIS N N 75 111.915 111.915 118.285 -6.370 18049
7089 1 16 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.072 0.388 18049
7090 1 16 . 1 1 75 75 HIS CA C 75 52.255 52.255 57.109 -4.854 18049
7091 1 16 . 1 1 75 75 HIS CB C 75 28.700 28.700 28.995 -0.295 18049
7092 1 16 . 1 1 75 75 HIS H H 75 6.732 6.732 8.359 -1.627 18049
7093 1 16 . 1 1 78 78 GLU N N 78 118.980 118.980 117.453 1.527 18049
7094 1 16 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.776 0.234 18049
7095 1 16 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.361 -0.881 18049
7096 1 16 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.707 5.643 18049
7097 1 16 . 1 1 78 78 GLU H H 78 8.831 8.831 8.460 0.371 18049
7098 1 16 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.617 -0.337 18049
7099 1 16 . 1 1 81 81 PRO CA C 81 61.512 61.512 62.956 -1.444 18049
7100 1 16 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.724 -3.209 18049
7101 1 16 . 1 1 82 82 SER N N 82 116.172 116.172 115.515 0.657 18049
7102 1 16 . 1 1 82 82 SER HA H 82 4.105 4.105 4.602 -0.497 18049
7103 1 16 . 1 1 82 82 SER CA C 82 58.317 58.317 58.423 -0.106 18049
7104 1 16 . 1 1 82 82 SER CB C 82 60.104 60.104 63.016 -2.912 18049
7105 1 16 . 1 1 82 82 SER H H 82 8.684 8.684 8.237 0.447 18049
7106 1 16 . 1 1 83 83 ILE N N 83 118.847 118.847 127.213 -8.366 18049
7107 1 16 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.753 -1.585 18049
7108 1 16 . 1 1 83 83 ILE CB C 83 38.482 38.482 40.795 -2.313 18049
7109 1 16 . 1 1 83 83 ILE H H 83 7.424 7.424 8.330 -0.906 18049
7110 1 16 . 1 1 84 84 TRP N N 84 115.140 115.140 128.692 -13.552 18049
7111 1 16 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.887 -2.294 18049
7112 1 16 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.427 -4.559 18049
7113 1 16 . 1 1 84 84 TRP H H 84 8.131 8.131 8.623 -0.492 18049
7114 1 16 . 1 1 85 85 ARG N N 85 118.936 118.936 125.556 -6.620 18049
7115 1 16 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.637 -4.419 18049
7116 1 16 . 1 1 85 85 ARG CB C 85 29.330 29.330 32.305 -2.975 18049
7117 1 16 . 1 1 85 85 ARG H H 85 7.884 7.884 7.591 0.293 18049
7118 1 16 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.459 -0.489 18049
7119 1 16 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.560 -1.540 18049
7120 1 16 . 1 1 86 86 ALA CB C 86 16.400 16.400 20.497 -4.097 18049
7121 1 16 . 1 1 87 87 TYR N N 87 117.965 117.965 120.179 -2.214 18049
7122 1 16 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.858 -0.402 18049
7123 1 16 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.710 -2.782 18049
7124 1 16 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.704 -0.692 18049
7125 1 16 . 1 1 87 87 TYR H H 87 7.733 7.733 8.274 -0.541 18049
7126 1 16 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.555 1.086 18049
7127 1 16 . 1 1 89 89 LEU CB C 89 36.799 36.799 43.924 -7.125 18049
7128 1 16 . 1 1 90 90 VAL N N 90 118.969 118.969 123.476 -4.507 18049
7129 1 16 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.354 -2.244 18049
7130 1 16 . 1 1 90 90 VAL CB C 90 30.127 30.127 34.522 -4.395 18049
7131 1 16 . 1 1 90 90 VAL H H 90 8.944 8.944 8.300 0.644 18049
7132 1 16 . 1 1 91 91 ASP N N 91 127.947 127.947 125.670 2.277 18049
7133 1 16 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.788 -4.820 18049
7134 1 16 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.918 -3.056 18049
7135 1 16 . 1 1 91 91 ASP H H 91 8.320 8.320 8.383 -0.063 18049
7136 1 16 . 1 1 92 92 ASP CA C 92 52.018 52.018 55.411 -3.393 18049
7137 1 16 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.194 -2.747 18049
7138 1 16 . 1 1 93 93 ASN N N 93 118.727 118.727 117.135 1.592 18049
7139 1 16 . 1 1 93 93 ASN CA C 93 51.153 51.153 54.224 -3.071 18049
7140 1 16 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.219 -1.848 18049
7141 1 16 . 1 1 93 93 ASN H H 93 8.396 8.396 8.567 -0.171 18049
7142 1 16 . 1 1 94 94 GLU N N 94 120.824 120.824 116.608 4.216 18049
7143 1 16 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.639 -2.250 18049
7144 1 16 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.485 -4.215 18049
7145 1 16 . 1 1 94 94 GLU H H 94 8.266 8.266 8.278 -0.012 18049
7146 1 16 . 1 1 95 95 LYS N N 95 121.079 121.079 117.700 3.379 18049
7147 1 16 . 1 1 95 95 LYS HA H 95 4.156 4.156 3.981 0.175 18049
7148 1 16 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.611 -2.769 18049
7149 1 16 . 1 1 95 95 LYS CB C 95 30.173 30.173 32.284 -2.111 18049
7150 1 16 . 1 1 95 95 LYS H H 95 8.055 8.055 8.636 -0.581 18049
7151 1 16 . 1 1 96 96 ALA N N 96 124.103 124.103 124.603 -0.500 18049
7152 1 16 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.547 -0.345 18049
7153 1 16 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.843 -2.116 18049
7154 1 16 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.599 -2.847 18049
7155 1 16 . 1 1 96 96 ALA H H 96 8.053 8.053 8.351 -0.298 18049
7156 1 16 . 1 1 97 97 LYS N N 97 121.893 121.893 121.175 0.718 18049
7157 1 16 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.582 0.303 18049
7158 1 16 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.935 -3.476 18049
7159 1 16 . 1 1 97 97 LYS H H 97 8.091 8.091 8.231 -0.140 18049
7160 1 16 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.457 -0.021 18049
7161 1 16 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.603 -3.578 18049
7162 1 16 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.088 -2.546 18049
7163 1 16 . 1 1 99 99 LYS N N 99 121.497 121.497 117.483 4.014 18049
7164 1 16 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.103 0.262 18049
7165 1 16 . 1 1 99 99 LYS CA C 99 52.659 52.659 58.068 -5.409 18049
7166 1 16 . 1 1 99 99 LYS CB C 99 31.973 31.973 31.055 0.918 18049
7167 1 16 . 1 1 99 99 LYS H H 99 8.241 8.241 8.508 -0.267 18049
7168 1 16 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.598 -0.331 18049
7169 1 16 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.058 -1.655 18049
7170 1 16 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.295 -2.838 18049
7171 1 16 . 1 1 103 103 PHE N N 103 118.755 118.755 117.272 1.483 18049
7172 1 16 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.775 -1.716 18049
7173 1 16 . 1 1 103 103 PHE H H 103 8.675 8.675 7.960 0.715 18049
7174 1 16 . 1 1 105 105 THR HA H 105 4.630 4.630 4.433 0.197 18049
7175 1 16 . 1 1 105 105 THR CA C 105 59.356 59.356 62.294 -2.938 18049
7176 1 16 . 1 1 105 105 THR CB C 105 67.299 67.299 69.942 -2.643 18049
7177 1 16 . 1 1 106 106 ILE N N 106 124.035 124.035 121.006 3.029 18049
7178 1 16 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.381 0.250 18049
7179 1 16 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.194 -2.464 18049
7180 1 16 . 1 1 106 106 ILE CB C 106 36.907 36.907 40.890 -3.983 18049
7181 1 16 . 1 1 106 106 ILE H H 106 7.833 7.833 7.194 0.639 18049
7182 1 16 . 1 1 107 107 TYR N N 107 118.339 118.339 127.413 -9.074 18049
7183 1 16 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.720 -0.180 18049
7184 1 16 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.736 -0.908 18049
7185 1 16 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.066 -2.826 18049
7186 1 16 . 1 1 107 107 TYR H H 107 8.925 8.925 8.509 0.416 18049
7187 1 16 . 1 1 108 108 CYS N N 108 130.380 130.380 128.119 2.261 18049
7188 1 16 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.643 -0.523 18049
7189 1 16 . 1 1 108 108 CYS CA C 108 55.950 55.950 55.426 0.524 18049
7190 1 16 . 1 1 108 108 CYS CB C 108 27.900 27.900 26.324 1.576 18049
7191 1 16 . 1 1 108 108 CYS H H 108 8.335 8.335 8.722 -0.387 18049
7192 1 16 . 1 1 109 109 TYR N N 109 126.618 126.618 124.529 2.089 18049
7193 1 16 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.169 0.231 18049
7194 1 16 . 1 1 109 109 TYR CA C 109 56.270 56.270 61.920 -5.650 18049
7195 1 16 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.047 -3.547 18049
7196 1 16 . 1 1 109 109 TYR H H 109 8.011 8.011 7.655 0.356 18049
7197 1 16 . 1 1 110 110 ASN N N 110 125.398 125.398 115.308 10.090 18049
7198 1 16 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.805 -0.003 18049
7199 1 16 . 1 1 110 110 ASN CA C 110 53.569 53.569 53.178 0.391 18049
7200 1 16 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.985 -1.063 18049
7201 1 16 . 1 1 110 110 ASN H H 110 9.284 9.284 8.323 0.961 18049
7202 1 16 . 1 1 111 111 CYS N N 111 118.921 118.921 116.208 2.713 18049
7203 1 16 . 1 1 111 111 CYS HA H 111 4.910 4.910 5.004 -0.094 18049
7204 1 16 . 1 1 111 111 CYS CA C 111 55.986 55.986 56.593 -0.607 18049
7205 1 16 . 1 1 111 111 CYS CB C 111 30.172 30.172 31.106 -0.934 18049
7206 1 16 . 1 1 111 111 CYS H H 111 9.171 9.171 7.858 1.313 18049
7207 1 16 . 1 1 112 112 GLY N N 112 114.064 114.064 107.461 6.603 18049
7208 1 16 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.461 -2.180 18049
7209 1 16 . 1 1 112 112 GLY H H 112 7.840 7.840 8.610 -0.770 18049
7210 1 16 . 1 1 113 113 GLY N N 113 112.541 112.541 110.215 2.326 18049
7211 1 16 . 1 1 113 113 GLY CA C 113 41.193 41.193 45.264 -4.072 18049
7212 1 16 . 1 1 113 113 GLY H H 113 9.023 9.023 8.391 0.632 18049
7213 1 16 . 1 1 114 114 LYS N N 114 119.130 119.130 120.626 -1.496 18049
7214 1 16 . 1 1 114 114 LYS HA H 114 4.260 4.260 3.692 0.568 18049
7215 1 16 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.894 -4.144 18049
7216 1 16 . 1 1 114 114 LYS CB C 114 31.680 31.680 31.062 0.618 18049
7217 1 16 . 1 1 114 114 LYS H H 114 8.200 8.200 7.955 0.245 18049
7218 1 16 . 1 1 115 115 GLY N N 115 108.864 108.864 104.997 3.867 18049
7219 1 16 . 1 1 115 115 GLY CA C 115 43.073 43.073 44.920 -1.847 18049
7220 1 16 . 1 1 115 115 GLY H H 115 8.501 8.501 7.707 0.794 18049
7221 1 16 . 1 1 116 116 HIS N N 116 113.173 113.173 117.529 -4.356 18049
7222 1 16 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.222 0.209 18049
7223 1 16 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.160 -1.760 18049
7224 1 16 . 1 1 116 116 HIS CB C 116 27.530 27.530 31.862 -4.332 18049
7225 1 16 . 1 1 116 116 HIS H H 116 6.665 6.665 7.266 -0.601 18049
7226 1 16 . 1 1 117 117 PHE N N 117 116.353 116.353 117.623 -1.270 18049
7227 1 16 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.041 0.639 18049
7228 1 16 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.716 -3.632 18049
7229 1 16 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.642 1.622 18049
7230 1 16 . 1 1 117 117 PHE H H 117 8.529 8.529 8.356 0.173 18049
7231 1 16 . 1 1 118 118 GLY N N 118 108.977 108.977 107.239 1.738 18049
7232 1 16 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.686 -1.325 18049
7233 1 16 . 1 1 118 118 GLY H H 118 8.870 8.870 8.630 0.240 18049
7234 1 16 . 1 1 119 119 ASP N N 119 117.997 117.997 119.116 -1.119 18049
7235 1 16 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.536 -0.192 18049
7236 1 16 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.522 -3.018 18049
7237 1 16 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.114 -3.304 18049
7238 1 16 . 1 1 119 119 ASP H H 119 7.892 7.892 8.155 -0.263 18049
7239 1 16 . 1 1 120 120 ASP N N 120 116.782 116.782 118.486 -1.704 18049
7240 1 16 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.832 0.023 18049
7241 1 16 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.723 -4.038 18049
7242 1 16 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.145 -1.946 18049
7243 1 16 . 1 1 120 120 ASP H H 120 7.730 7.730 7.930 -0.200 18049
7244 1 16 . 1 1 121 121 CYS N N 121 125.836 125.836 118.804 7.032 18049
7245 1 16 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.506 0.274 18049
7246 1 16 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.600 -2.533 18049
7247 1 16 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.506 0.694 18049
7248 1 16 . 1 1 121 121 CYS H H 121 7.667 7.667 7.875 -0.208 18049
7249 1 17 . 1 1 3 3 ALA N N 3 125.353 125.353 122.813 2.540 18049
7250 1 17 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.475 -0.280 18049
7251 1 17 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.134 -1.556 18049
7252 1 17 . 1 1 3 3 ALA CB C 3 16.811 16.811 18.365 -1.554 18049
7253 1 17 . 1 1 3 3 ALA H H 3 8.182 8.182 7.886 0.296 18049
7254 1 17 . 1 1 4 4 ALA N N 4 124.707 124.707 124.061 0.646 18049
7255 1 17 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.194 0.266 18049
7256 1 17 . 1 1 4 4 ALA CA C 4 47.760 47.760 54.469 -6.709 18049
7257 1 17 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.200 -1.402 18049
7258 1 17 . 1 1 4 4 ALA H H 4 8.151 8.151 7.901 0.250 18049
7259 1 17 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.302 0.168 18049
7260 1 17 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.343 -4.023 18049
7261 1 17 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.780 -1.980 18049
7262 1 17 . 1 1 6 6 LYS N N 6 121.400 121.400 118.540 2.860 18049
7263 1 17 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.995 0.268 18049
7264 1 17 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.303 -5.673 18049
7265 1 17 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.543 0.458 18049
7266 1 17 . 1 1 6 6 LYS H H 6 8.230 8.230 8.585 -0.355 18049
7267 1 17 . 1 1 7 7 CYS N N 7 128.995 128.995 115.281 13.714 18049
7268 1 17 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.786 -0.672 18049
7269 1 17 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.028 -0.008 18049
7270 1 17 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.545 -2.825 18049
7271 1 17 . 1 1 7 7 CYS H H 7 8.354 8.354 8.359 -0.005 18049
7272 1 17 . 1 1 8 8 ASN N N 8 127.325 127.325 121.103 6.222 18049
7273 1 17 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.578 0.127 18049
7274 1 17 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.423 -3.513 18049
7275 1 17 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.672 -2.742 18049
7276 1 17 . 1 1 8 8 ASN H H 8 8.659 8.659 8.741 -0.082 18049
7277 1 17 . 1 1 9 9 ASN N N 9 122.394 122.394 116.793 5.601 18049
7278 1 17 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.719 0.081 18049
7279 1 17 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.590 -0.278 18049
7280 1 17 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.548 -1.673 18049
7281 1 17 . 1 1 9 9 ASN H H 9 9.861 9.861 8.049 1.812 18049
7282 1 17 . 1 1 10 10 CYS N N 10 117.508 117.508 122.031 -4.523 18049
7283 1 17 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.702 0.003 18049
7284 1 17 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.500 -2.150 18049
7285 1 17 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.442 1.098 18049
7286 1 17 . 1 1 10 10 CYS H H 10 8.814 8.814 8.266 0.548 18049
7287 1 17 . 1 1 11 11 SER N N 11 115.934 115.934 121.437 -5.503 18049
7288 1 17 . 1 1 11 11 SER HA H 11 4.150 4.150 4.460 -0.310 18049
7289 1 17 . 1 1 11 11 SER CA C 11 58.769 58.769 57.875 0.894 18049
7290 1 17 . 1 1 11 11 SER CB C 11 59.635 59.635 62.311 -2.676 18049
7291 1 17 . 1 1 11 11 SER H H 11 7.821 7.821 8.835 -1.014 18049
7292 1 17 . 1 1 12 12 GLN N N 12 120.325 120.325 120.588 -0.263 18049
7293 1 17 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.394 -0.033 18049
7294 1 17 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.220 -2.350 18049
7295 1 17 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.503 -2.590 18049
7296 1 17 . 1 1 12 12 GLN H H 12 8.311 8.311 7.787 0.524 18049
7297 1 17 . 1 1 13 13 ARG N N 13 118.657 118.657 120.418 -1.761 18049
7298 1 17 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.251 0.117 18049
7299 1 17 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.359 -3.329 18049
7300 1 17 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.783 1.517 18049
7301 1 17 . 1 1 13 13 ARG H H 13 8.430 8.430 8.374 0.056 18049
7302 1 17 . 1 1 14 14 GLY N N 14 107.015 107.015 108.234 -1.219 18049
7303 1 17 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.640 -2.910 18049
7304 1 17 . 1 1 14 14 GLY H H 14 8.706 8.706 8.785 -0.079 18049
7305 1 17 . 1 1 15 15 HIS N N 15 113.397 113.397 123.846 -10.449 18049
7306 1 17 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.905 -0.305 18049
7307 1 17 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.018 -0.582 18049
7308 1 17 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.242 -0.355 18049
7309 1 17 . 1 1 15 15 HIS H H 15 6.998 6.998 8.023 -1.025 18049
7310 1 17 . 1 1 16 16 LEU N N 16 117.239 117.239 122.325 -5.086 18049
7311 1 17 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.345 0.240 18049
7312 1 17 . 1 1 16 16 LEU CA C 16 50.529 50.529 55.004 -4.475 18049
7313 1 17 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.343 -0.147 18049
7314 1 17 . 1 1 16 16 LEU H H 16 8.614 8.614 8.010 0.604 18049
7315 1 17 . 1 1 17 17 LYS N N 17 122.561 122.561 121.514 1.047 18049
7316 1 17 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.997 0.783 18049
7317 1 17 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.467 -1.703 18049
7318 1 17 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.642 -1.841 18049
7319 1 17 . 1 1 17 17 LYS H H 17 8.681 8.681 8.670 0.011 18049
7320 1 17 . 1 1 18 18 LYS N N 18 117.626 117.626 114.912 2.714 18049
7321 1 17 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.246 -0.142 18049
7322 1 17 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.493 -1.674 18049
7323 1 17 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.224 -3.469 18049
7324 1 17 . 1 1 18 18 LYS H H 18 8.320 8.320 8.031 0.289 18049
7325 1 17 . 1 1 19 19 ASP N N 19 118.071 118.071 121.103 -3.032 18049
7326 1 17 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.623 0.227 18049
7327 1 17 . 1 1 19 19 ASP CA C 19 50.832 50.832 56.137 -5.305 18049
7328 1 17 . 1 1 19 19 ASP CB C 19 39.900 39.900 42.275 -2.375 18049
7329 1 17 . 1 1 19 19 ASP H H 19 7.770 7.770 7.994 -0.224 18049
7330 1 17 . 1 1 20 20 CYS N N 20 123.265 123.265 120.055 3.210 18049
7331 1 17 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.125 -0.423 18049
7332 1 17 . 1 1 20 20 CYS CA C 20 59.556 59.556 62.931 -3.375 18049
7333 1 17 . 1 1 20 20 CYS CB C 20 28.496 28.496 26.621 1.875 18049
7334 1 17 . 1 1 20 20 CYS H H 20 7.275 7.275 8.052 -0.777 18049
7335 1 17 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.887 -4.987 18049
7336 1 17 . 1 1 21 21 PRO CB C 21 30.720 30.720 30.224 0.496 18049
7337 1 17 . 1 1 22 22 HIS N N 22 121.576 121.576 120.649 0.927 18049
7338 1 17 . 1 1 22 22 HIS CA C 22 52.484 52.484 58.741 -6.257 18049
7339 1 17 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.405 -2.572 18049
7340 1 17 . 1 1 22 22 HIS H H 22 7.882 7.882 7.652 0.230 18049
7341 1 17 . 1 1 23 23 ILE N N 23 117.100 117.100 112.570 4.530 18049
7342 1 17 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.382 -0.212 18049
7343 1 17 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.221 -2.801 18049
7344 1 17 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.735 -0.755 18049
7345 1 17 . 1 1 23 23 ILE H H 23 8.660 8.660 7.409 1.251 18049
7346 1 17 . 1 1 24 24 ILE N N 24 126.524 126.524 119.362 7.162 18049
7347 1 17 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.334 -0.384 18049
7348 1 17 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.589 -2.899 18049
7349 1 17 . 1 1 24 24 ILE CB C 24 37.176 37.176 40.381 -3.205 18049
7350 1 17 . 1 1 24 24 ILE H H 24 8.486 8.486 7.392 1.094 18049
7351 1 17 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.139 -3.125 18049
7352 1 17 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.259 -0.986 18049
7353 1 17 . 1 1 26 26 SER N N 26 127.811 127.811 118.913 8.898 18049
7354 1 17 . 1 1 26 26 SER HA H 26 4.050 4.050 4.305 -0.255 18049
7355 1 17 . 1 1 26 26 SER CA C 26 58.170 58.170 59.326 -1.156 18049
7356 1 17 . 1 1 26 26 SER CB C 26 60.523 60.523 62.400 -1.877 18049
7357 1 17 . 1 1 26 26 SER H H 26 9.491 9.491 8.557 0.934 18049
7358 1 17 . 1 1 27 27 TYR N N 27 124.378 124.378 122.183 2.195 18049
7359 1 17 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.055 0.470 18049
7360 1 17 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.204 -1.314 18049
7361 1 17 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.280 -0.187 18049
7362 1 17 . 1 1 27 27 TYR H H 27 9.389 9.389 8.290 1.099 18049
7363 1 17 . 1 1 28 28 CYS N N 28 126.900 126.900 114.221 12.679 18049
7364 1 17 . 1 1 28 28 CYS CA C 28 55.921 55.921 57.098 -1.177 18049
7365 1 17 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.104 1.095 18049
7366 1 17 . 1 1 28 28 CYS H H 28 8.490 8.490 7.797 0.693 18049
7367 1 17 . 1 1 29 29 GLY N N 29 113.271 113.271 107.081 6.190 18049
7368 1 17 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.635 -1.287 18049
7369 1 17 . 1 1 29 29 GLY H H 29 7.792 7.792 7.377 0.415 18049
7370 1 17 . 1 1 30 30 ALA N N 30 124.805 124.805 123.780 1.025 18049
7371 1 17 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.675 -0.556 18049
7372 1 17 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.352 -0.212 18049
7373 1 17 . 1 1 30 30 ALA CB C 30 17.720 17.720 19.423 -1.703 18049
7374 1 17 . 1 1 30 30 ALA H H 30 8.541 8.541 8.746 -0.205 18049
7375 1 17 . 1 1 31 31 THR N N 31 118.352 118.352 113.996 4.356 18049
7376 1 17 . 1 1 31 31 THR CA C 31 58.082 58.082 64.695 -6.614 18049
7377 1 17 . 1 1 31 31 THR CB C 31 67.072 67.072 68.411 -1.339 18049
7378 1 17 . 1 1 31 31 THR H H 31 8.544 8.544 8.231 0.313 18049
7379 1 17 . 1 1 32 32 ASP N N 32 123.222 123.222 119.363 3.859 18049
7380 1 17 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.642 -0.599 18049
7381 1 17 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.254 -2.105 18049
7382 1 17 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.472 -5.025 18049
7383 1 17 . 1 1 32 32 ASP H H 32 9.768 9.768 8.029 1.739 18049
7384 1 17 . 1 1 33 33 ASP N N 33 116.889 116.889 115.320 1.569 18049
7385 1 17 . 1 1 33 33 ASP CA C 33 53.320 53.320 53.713 -0.393 18049
7386 1 17 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.280 1.910 18049
7387 1 17 . 1 1 33 33 ASP H H 33 8.111 8.111 8.048 0.063 18049
7388 1 17 . 1 1 34 34 HIS N N 34 110.849 110.849 118.587 -7.738 18049
7389 1 17 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.717 -3.527 18049
7390 1 17 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.663 7.107 18049
7391 1 17 . 1 1 34 34 HIS H H 34 6.959 6.959 7.720 -0.761 18049
7392 1 17 . 1 1 35 35 TYR N N 35 117.529 117.529 126.735 -9.206 18049
7393 1 17 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.470 -2.333 18049
7394 1 17 . 1 1 35 35 TYR CB C 35 37.567 37.567 40.575 -3.008 18049
7395 1 17 . 1 1 35 35 TYR H H 35 8.813 8.813 8.341 0.472 18049
7396 1 17 . 1 1 36 36 SER N N 36 121.984 121.984 122.907 -0.923 18049
7397 1 17 . 1 1 36 36 SER CA C 36 57.520 57.520 61.001 -3.481 18049
7398 1 17 . 1 1 36 36 SER CB C 36 59.800 59.800 63.166 -3.366 18049
7399 1 17 . 1 1 36 36 SER H H 36 8.518 8.518 8.837 -0.319 18049
7400 1 17 . 1 1 37 37 ARG N N 37 119.707 119.707 120.281 -0.574 18049
7401 1 17 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.224 -5.553 18049
7402 1 17 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.355 -2.262 18049
7403 1 17 . 1 1 37 37 ARG H H 37 7.963 7.963 7.444 0.519 18049
7404 1 17 . 1 1 38 38 HIS N N 38 125.394 125.394 114.681 10.713 18049
7405 1 17 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.801 0.475 18049
7406 1 17 . 1 1 38 38 HIS H H 38 7.443 7.443 7.448 -0.005 18049
7407 1 17 . 1 1 39 39 CYS HA H 39 4.450 4.450 3.999 0.451 18049
7408 1 17 . 1 1 39 39 CYS CA C 39 51.680 51.680 61.820 -10.140 18049
7409 1 17 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.855 2.385 18049
7410 1 17 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.585 -0.275 18049
7411 1 17 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.997 -3.557 18049
7412 1 17 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.150 -0.850 18049
7413 1 17 . 1 1 41 41 LYS N N 41 121.400 121.400 124.310 -2.910 18049
7414 1 17 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.481 -0.402 18049
7415 1 17 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.879 -2.199 18049
7416 1 17 . 1 1 41 41 LYS CB C 41 29.641 29.641 34.303 -4.662 18049
7417 1 17 . 1 1 41 41 LYS H H 41 8.650 8.650 8.274 0.376 18049
7418 1 17 . 1 1 42 42 ALA N N 42 122.096 122.096 121.231 0.865 18049
7419 1 17 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.674 -1.155 18049
7420 1 17 . 1 1 42 42 ALA CA C 42 49.591 49.591 50.490 -0.899 18049
7421 1 17 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.957 -4.501 18049
7422 1 17 . 1 1 42 42 ALA H H 42 7.201 7.201 7.443 -0.242 18049
7423 1 17 . 1 1 43 43 ILE N N 43 119.646 119.646 115.322 4.324 18049
7424 1 17 . 1 1 43 43 ILE HA H 43 3.731 3.731 3.491 0.240 18049
7425 1 17 . 1 1 43 43 ILE CA C 43 57.966 57.966 64.070 -6.104 18049
7426 1 17 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.050 -1.073 18049
7427 1 17 . 1 1 43 43 ILE H H 43 7.086 7.086 8.614 -1.528 18049
7428 1 17 . 1 1 44 44 GLN N N 44 125.541 125.541 118.937 6.604 18049
7429 1 17 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.332 0.100 18049
7430 1 17 . 1 1 44 44 GLN CA C 44 51.736 51.736 56.343 -4.607 18049
7431 1 17 . 1 1 44 44 GLN CB C 44 28.084 28.084 29.025 -0.941 18049
7432 1 17 . 1 1 44 44 GLN H H 44 7.980 7.980 7.780 0.200 18049
7433 1 17 . 1 1 45 45 CYS N N 45 130.678 130.678 121.174 9.504 18049
7434 1 17 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.616 -0.496 18049
7435 1 17 . 1 1 45 45 CYS CA C 45 57.330 57.330 57.389 -0.059 18049
7436 1 17 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.308 -1.308 18049
7437 1 17 . 1 1 45 45 CYS H H 45 8.353 8.353 8.019 0.334 18049
7438 1 17 . 1 1 46 46 SER N N 46 124.273 124.273 125.308 -1.035 18049
7439 1 17 . 1 1 46 46 SER HA H 46 4.334 4.334 4.059 0.275 18049
7440 1 17 . 1 1 46 46 SER CA C 46 56.923 56.923 59.455 -2.532 18049
7441 1 17 . 1 1 46 46 SER CB C 46 60.400 60.400 61.699 -1.299 18049
7442 1 17 . 1 1 46 46 SER H H 46 8.466 8.466 9.298 -0.832 18049
7443 1 17 . 1 1 47 47 LYS N N 47 127.929 127.929 114.400 13.529 18049
7444 1 17 . 1 1 47 47 LYS HA H 47 4.360 4.360 3.907 0.453 18049
7445 1 17 . 1 1 47 47 LYS CA C 47 56.320 56.320 58.018 -1.698 18049
7446 1 17 . 1 1 47 47 LYS CB C 47 31.300 31.300 30.336 0.964 18049
7447 1 17 . 1 1 47 47 LYS H H 47 9.720 9.720 8.949 0.771 18049
7448 1 17 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.490 0.100 18049
7449 1 17 . 1 1 48 48 CYS CA C 48 51.500 51.500 59.901 -8.401 18049
7450 1 17 . 1 1 48 48 CYS CB C 48 28.100 28.100 29.479 -1.379 18049
7451 1 17 . 1 1 48 48 CYS H H 48 8.600 8.600 8.533 0.067 18049
7452 1 17 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.750 -0.040 18049
7453 1 17 . 1 1 49 49 ASP CA C 49 54.300 54.300 53.600 0.700 18049
7454 1 17 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.620 -2.420 18049
7455 1 17 . 1 1 49 49 ASP H H 49 8.830 8.830 7.701 1.129 18049
7456 1 17 . 1 1 50 50 GLU N N 50 118.700 118.700 118.719 -0.019 18049
7457 1 17 . 1 1 50 50 GLU HA H 50 4.295 4.295 3.978 0.317 18049
7458 1 17 . 1 1 50 50 GLU CA C 50 54.340 54.340 58.504 -4.164 18049
7459 1 17 . 1 1 50 50 GLU CB C 50 28.500 28.500 28.564 -0.064 18049
7460 1 17 . 1 1 50 50 GLU H H 50 8.226 8.226 8.842 -0.616 18049
7461 1 17 . 1 1 51 51 VAL N N 51 118.593 118.593 107.482 11.111 18049
7462 1 17 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.639 -0.366 18049
7463 1 17 . 1 1 51 51 VAL CA C 51 59.380 59.380 62.235 -2.855 18049
7464 1 17 . 1 1 51 51 VAL CB C 51 30.250 30.250 34.127 -3.877 18049
7465 1 17 . 1 1 51 51 VAL H H 51 8.216 8.216 7.438 0.778 18049
7466 1 17 . 1 1 52 52 GLY N N 52 110.908 110.908 108.676 2.232 18049
7467 1 17 . 1 1 52 52 GLY CA C 52 42.690 42.690 44.838 -2.148 18049
7468 1 17 . 1 1 52 52 GLY H H 52 8.630 8.630 7.827 0.803 18049
7469 1 17 . 1 1 53 53 HIS N N 53 113.633 113.633 121.263 -7.630 18049
7470 1 17 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.646 -0.056 18049
7471 1 17 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.114 -1.664 18049
7472 1 17 . 1 1 53 53 HIS CB C 53 28.040 28.040 26.967 1.073 18049
7473 1 17 . 1 1 53 53 HIS H H 53 6.855 6.855 7.465 -0.610 18049
7474 1 17 . 1 1 54 54 TYR N N 54 115.154 115.154 123.059 -7.905 18049
7475 1 17 . 1 1 54 54 TYR HA H 54 4.170 4.170 3.860 0.310 18049
7476 1 17 . 1 1 54 54 TYR CA C 54 53.800 53.800 61.314 -7.514 18049
7477 1 17 . 1 1 54 54 TYR CB C 54 36.629 36.629 38.151 -1.522 18049
7478 1 17 . 1 1 54 54 TYR H H 54 8.054 8.054 8.398 -0.344 18049
7479 1 17 . 1 1 55 55 ARG N N 55 126.509 126.509 117.249 9.260 18049
7480 1 17 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.661 -0.062 18049
7481 1 17 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.882 -1.059 18049
7482 1 17 . 1 1 55 55 ARG CB C 55 26.221 26.221 27.806 -1.585 18049
7483 1 17 . 1 1 55 55 ARG H H 55 8.490 8.490 8.086 0.404 18049
7484 1 17 . 1 1 56 56 SER N N 56 116.450 116.450 112.634 3.816 18049
7485 1 17 . 1 1 56 56 SER CA C 56 56.523 56.523 58.569 -2.046 18049
7486 1 17 . 1 1 56 56 SER CB C 56 62.261 62.261 62.136 0.125 18049
7487 1 17 . 1 1 56 56 SER H H 56 8.247 8.247 7.631 0.616 18049
7488 1 17 . 1 1 57 57 GLN N N 57 124.678 124.678 114.901 9.777 18049
7489 1 17 . 1 1 57 57 GLN HA H 57 4.174 4.174 3.980 0.194 18049
7490 1 17 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.317 -2.707 18049
7491 1 17 . 1 1 57 57 GLN CB C 57 27.060 27.060 27.013 0.047 18049
7492 1 17 . 1 1 57 57 GLN H H 57 8.702 8.702 8.200 0.502 18049
7493 1 17 . 1 1 58 58 CYS N N 58 126.577 126.577 115.093 11.484 18049
7494 1 17 . 1 1 58 58 CYS HA H 58 4.416 4.416 3.883 0.533 18049
7495 1 17 . 1 1 58 58 CYS CA C 58 55.001 55.001 59.768 -4.767 18049
7496 1 17 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.052 4.027 18049
7497 1 17 . 1 1 58 58 CYS H H 58 7.694 7.694 8.091 -0.397 18049
7498 1 17 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.712 3.079 18049
7499 1 17 . 1 1 62 62 TRP CB C 62 27.411 27.411 31.240 -3.829 18049
7500 1 17 . 1 1 63 63 LYS N N 63 121.641 121.641 122.223 -0.582 18049
7501 1 17 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.217 -3.845 18049
7502 1 17 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.569 -4.777 18049
7503 1 17 . 1 1 63 63 LYS H H 63 8.033 8.033 6.861 1.172 18049
7504 1 17 . 1 1 64 64 LYS N N 64 111.775 111.775 123.409 -11.634 18049
7505 1 17 . 1 1 64 64 LYS CA C 64 53.743 53.743 56.236 -2.493 18049
7506 1 17 . 1 1 64 64 LYS H H 64 8.104 8.104 8.179 -0.075 18049
7507 1 17 . 1 1 65 65 VAL N N 65 122.037 122.037 119.493 2.544 18049
7508 1 17 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.955 0.085 18049
7509 1 17 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.782 -3.492 18049
7510 1 17 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.602 -3.191 18049
7511 1 17 . 1 1 65 65 VAL H H 65 8.306 8.306 8.439 -0.133 18049
7512 1 17 . 1 1 66 66 GLN N N 66 121.994 121.994 119.823 2.171 18049
7513 1 17 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.193 -3.590 18049
7514 1 17 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.750 1.550 18049
7515 1 17 . 1 1 66 66 GLN H H 66 8.360 8.360 8.472 -0.112 18049
7516 1 17 . 1 1 67 67 CYS N N 67 121.582 121.582 117.458 4.124 18049
7517 1 17 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.591 -0.552 18049
7518 1 17 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.306 0.909 18049
7519 1 17 . 1 1 67 67 CYS CB C 67 30.532 30.532 28.558 1.974 18049
7520 1 17 . 1 1 67 67 CYS H H 67 8.032 8.032 7.894 0.138 18049
7521 1 17 . 1 1 68 68 THR HA H 68 4.046 4.046 4.123 -0.077 18049
7522 1 17 . 1 1 68 68 THR CA C 68 61.228 61.228 64.991 -3.763 18049
7523 1 17 . 1 1 68 68 THR CB C 68 65.371 65.371 69.050 -3.679 18049
7524 1 17 . 1 1 69 69 LEU N N 69 124.335 124.335 115.891 8.444 18049
7525 1 17 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.813 -0.431 18049
7526 1 17 . 1 1 69 69 LEU CA C 69 54.429 54.429 54.000 0.429 18049
7527 1 17 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.581 -1.791 18049
7528 1 17 . 1 1 69 69 LEU H H 69 9.024 9.024 7.730 1.294 18049
7529 1 17 . 1 1 70 70 CYS N N 70 118.876 118.876 119.613 -0.737 18049
7530 1 17 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.870 -0.534 18049
7531 1 17 . 1 1 70 70 CYS CA C 70 53.145 53.145 57.127 -3.982 18049
7532 1 17 . 1 1 70 70 CYS CB C 70 29.863 29.863 31.170 -1.307 18049
7533 1 17 . 1 1 70 70 CYS H H 70 8.716 8.716 7.398 1.318 18049
7534 1 17 . 1 1 71 71 LYS N N 71 122.961 122.961 122.245 0.716 18049
7535 1 17 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.481 -0.314 18049
7536 1 17 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.030 -2.195 18049
7537 1 17 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.676 -0.156 18049
7538 1 17 . 1 1 71 71 LYS H H 71 8.505 8.505 8.483 0.022 18049
7539 1 17 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.620 -0.382 18049
7540 1 17 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.759 -1.516 18049
7541 1 17 . 1 1 75 75 HIS N N 75 111.915 111.915 118.419 -6.504 18049
7542 1 17 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.922 -0.462 18049
7543 1 17 . 1 1 75 75 HIS CA C 75 52.255 52.255 54.811 -2.556 18049
7544 1 17 . 1 1 75 75 HIS CB C 75 28.700 28.700 31.267 -2.567 18049
7545 1 17 . 1 1 75 75 HIS H H 75 6.732 6.732 7.764 -1.032 18049
7546 1 17 . 1 1 78 78 GLU N N 78 118.980 118.980 118.056 0.924 18049
7547 1 17 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.152 -0.142 18049
7548 1 17 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.313 -1.833 18049
7549 1 17 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.357 4.993 18049
7550 1 17 . 1 1 78 78 GLU H H 78 8.831 8.831 7.798 1.033 18049
7551 1 17 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.527 -0.247 18049
7552 1 17 . 1 1 81 81 PRO CA C 81 61.512 61.512 63.949 -2.437 18049
7553 1 17 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.274 -2.760 18049
7554 1 17 . 1 1 82 82 SER N N 82 116.172 116.172 116.459 -0.287 18049
7555 1 17 . 1 1 82 82 SER HA H 82 4.105 4.105 4.690 -0.585 18049
7556 1 17 . 1 1 82 82 SER CA C 82 58.317 58.317 57.384 0.933 18049
7557 1 17 . 1 1 82 82 SER CB C 82 60.104 60.104 64.728 -4.625 18049
7558 1 17 . 1 1 82 82 SER H H 82 8.684 8.684 8.038 0.646 18049
7559 1 17 . 1 1 83 83 ILE N N 83 118.847 118.847 121.305 -2.458 18049
7560 1 17 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.130 -1.962 18049
7561 1 17 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.123 0.359 18049
7562 1 17 . 1 1 83 83 ILE H H 83 7.424 7.424 8.347 -0.923 18049
7563 1 17 . 1 1 84 84 TRP N N 84 115.140 115.140 123.226 -8.086 18049
7564 1 17 . 1 1 84 84 TRP CA C 84 54.593 54.593 56.542 -1.950 18049
7565 1 17 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.840 -4.971 18049
7566 1 17 . 1 1 84 84 TRP H H 84 8.131 8.131 7.634 0.497 18049
7567 1 17 . 1 1 85 85 ARG N N 85 118.936 118.936 123.071 -4.135 18049
7568 1 17 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.473 -4.255 18049
7569 1 17 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.428 -1.098 18049
7570 1 17 . 1 1 85 85 ARG H H 85 7.884 7.884 8.571 -0.687 18049
7571 1 17 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.240 -0.270 18049
7572 1 17 . 1 1 86 86 ALA CA C 86 50.020 50.020 53.250 -3.230 18049
7573 1 17 . 1 1 86 86 ALA CB C 86 16.400 16.400 17.720 -1.320 18049
7574 1 17 . 1 1 87 87 TYR N N 87 117.965 117.965 119.607 -1.642 18049
7575 1 17 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.489 -0.033 18049
7576 1 17 . 1 1 87 87 TYR CA C 87 54.928 54.928 58.561 -3.633 18049
7577 1 17 . 1 1 87 87 TYR CB C 87 40.012 40.012 38.529 1.483 18049
7578 1 17 . 1 1 87 87 TYR H H 87 7.733 7.733 8.039 -0.306 18049
7579 1 17 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.398 1.243 18049
7580 1 17 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.917 -6.118 18049
7581 1 17 . 1 1 90 90 VAL N N 90 118.969 118.969 119.303 -0.334 18049
7582 1 17 . 1 1 90 90 VAL CA C 90 59.110 59.110 61.504 -2.394 18049
7583 1 17 . 1 1 90 90 VAL CB C 90 30.127 30.127 33.043 -2.916 18049
7584 1 17 . 1 1 90 90 VAL H H 90 8.944 8.944 8.213 0.731 18049
7585 1 17 . 1 1 91 91 ASP N N 91 127.947 127.947 121.831 6.116 18049
7586 1 17 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.052 -4.084 18049
7587 1 17 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.980 -3.118 18049
7588 1 17 . 1 1 91 91 ASP H H 91 8.320 8.320 8.533 -0.213 18049
7589 1 17 . 1 1 92 92 ASP CA C 92 52.018 52.018 54.481 -2.463 18049
7590 1 17 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.676 -3.229 18049
7591 1 17 . 1 1 93 93 ASN N N 93 118.727 118.727 120.704 -1.977 18049
7592 1 17 . 1 1 93 93 ASN CA C 93 51.153 51.153 54.135 -2.982 18049
7593 1 17 . 1 1 93 93 ASN CB C 93 36.371 36.371 38.694 -2.323 18049
7594 1 17 . 1 1 93 93 ASN H H 93 8.396 8.396 8.732 -0.336 18049
7595 1 17 . 1 1 94 94 GLU N N 94 120.824 120.824 121.341 -0.517 18049
7596 1 17 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.088 -1.699 18049
7597 1 17 . 1 1 94 94 GLU CB C 94 27.270 27.270 27.999 -0.729 18049
7598 1 17 . 1 1 94 94 GLU H H 94 8.266 8.266 8.877 -0.611 18049
7599 1 17 . 1 1 95 95 LYS N N 95 121.079 121.079 119.647 1.432 18049
7600 1 17 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.324 -0.168 18049
7601 1 17 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.544 -2.703 18049
7602 1 17 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.227 -3.054 18049
7603 1 17 . 1 1 95 95 LYS H H 95 8.055 8.055 7.806 0.249 18049
7604 1 17 . 1 1 96 96 ALA N N 96 124.103 124.103 124.778 -0.675 18049
7605 1 17 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.515 -0.313 18049
7606 1 17 . 1 1 96 96 ALA CA C 96 49.727 49.727 51.442 -1.715 18049
7607 1 17 . 1 1 96 96 ALA CB C 96 16.752 16.752 20.432 -3.680 18049
7608 1 17 . 1 1 96 96 ALA H H 96 8.053 8.053 8.304 -0.251 18049
7609 1 17 . 1 1 97 97 LYS N N 97 121.893 121.893 120.884 1.009 18049
7610 1 17 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.411 0.474 18049
7611 1 17 . 1 1 97 97 LYS CA C 97 51.459 51.459 55.503 -4.044 18049
7612 1 17 . 1 1 97 97 LYS H H 97 8.091 8.091 8.253 -0.162 18049
7613 1 17 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.344 0.092 18049
7614 1 17 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.764 -3.739 18049
7615 1 17 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.022 -2.480 18049
7616 1 17 . 1 1 99 99 LYS N N 99 121.497 121.497 113.470 8.027 18049
7617 1 17 . 1 1 99 99 LYS HA H 99 4.365 4.365 3.925 0.440 18049
7618 1 17 . 1 1 99 99 LYS CA C 99 52.659 52.659 57.387 -4.728 18049
7619 1 17 . 1 1 99 99 LYS CB C 99 31.973 31.973 30.200 1.773 18049
7620 1 17 . 1 1 99 99 LYS H H 99 8.241 8.241 8.582 -0.341 18049
7621 1 17 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.302 -0.035 18049
7622 1 17 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.865 -1.462 18049
7623 1 17 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.411 -2.954 18049
7624 1 17 . 1 1 103 103 PHE N N 103 118.755 118.755 118.220 0.535 18049
7625 1 17 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.489 -1.430 18049
7626 1 17 . 1 1 103 103 PHE H H 103 8.675 8.675 8.550 0.125 18049
7627 1 17 . 1 1 105 105 THR HA H 105 4.630 4.630 4.109 0.521 18049
7628 1 17 . 1 1 105 105 THR CA C 105 59.356 59.356 61.879 -2.523 18049
7629 1 17 . 1 1 105 105 THR CB C 105 67.299 67.299 68.910 -1.611 18049
7630 1 17 . 1 1 106 106 ILE N N 106 124.035 124.035 121.671 2.364 18049
7631 1 17 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.057 0.574 18049
7632 1 17 . 1 1 106 106 ILE CA C 106 57.730 57.730 61.662 -3.932 18049
7633 1 17 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.497 -1.590 18049
7634 1 17 . 1 1 106 106 ILE H H 106 7.833 7.833 7.343 0.490 18049
7635 1 17 . 1 1 107 107 TYR N N 107 118.339 118.339 125.779 -7.440 18049
7636 1 17 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.728 -0.188 18049
7637 1 17 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.512 -0.684 18049
7638 1 17 . 1 1 107 107 TYR CB C 107 37.240 37.240 40.935 -3.695 18049
7639 1 17 . 1 1 107 107 TYR H H 107 8.925 8.925 8.098 0.827 18049
7640 1 17 . 1 1 108 108 CYS N N 108 130.380 130.380 119.523 10.857 18049
7641 1 17 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.358 -0.238 18049
7642 1 17 . 1 1 108 108 CYS CA C 108 55.950 55.950 59.332 -3.382 18049
7643 1 17 . 1 1 108 108 CYS CB C 108 27.900 27.900 29.161 -1.261 18049
7644 1 17 . 1 1 108 108 CYS H H 108 8.335 8.335 8.640 -0.305 18049
7645 1 17 . 1 1 109 109 TYR N N 109 126.618 126.618 122.415 4.203 18049
7646 1 17 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.672 -0.272 18049
7647 1 17 . 1 1 109 109 TYR CA C 109 56.270 56.270 57.537 -1.267 18049
7648 1 17 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.580 -4.080 18049
7649 1 17 . 1 1 109 109 TYR H H 109 8.011 8.011 8.870 -0.859 18049
7650 1 17 . 1 1 110 110 ASN N N 110 125.398 125.398 117.421 7.977 18049
7651 1 17 . 1 1 110 110 ASN HA H 110 4.802 4.802 5.197 -0.395 18049
7652 1 17 . 1 1 110 110 ASN CA C 110 53.569 53.569 52.580 0.989 18049
7653 1 17 . 1 1 110 110 ASN CB C 110 37.922 37.922 41.643 -3.721 18049
7654 1 17 . 1 1 110 110 ASN H H 110 9.284 9.284 7.806 1.478 18049
7655 1 17 . 1 1 111 111 CYS N N 111 118.921 118.921 116.646 2.275 18049
7656 1 17 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.086 0.824 18049
7657 1 17 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.717 -3.731 18049
7658 1 17 . 1 1 111 111 CYS CB C 111 30.172 30.172 26.849 3.323 18049
7659 1 17 . 1 1 111 111 CYS H H 111 9.171 9.171 9.018 0.153 18049
7660 1 17 . 1 1 112 112 GLY N N 112 114.064 114.064 107.562 6.502 18049
7661 1 17 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.361 -1.080 18049
7662 1 17 . 1 1 112 112 GLY H H 112 7.840 7.840 8.091 -0.251 18049
7663 1 17 . 1 1 113 113 GLY N N 113 112.541 112.541 110.114 2.427 18049
7664 1 17 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.615 -3.422 18049
7665 1 17 . 1 1 113 113 GLY H H 113 9.023 9.023 7.912 1.111 18049
7666 1 17 . 1 1 114 114 LYS N N 114 119.130 119.130 121.175 -2.045 18049
7667 1 17 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.295 -0.035 18049
7668 1 17 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.203 -3.453 18049
7669 1 17 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.536 -0.856 18049
7670 1 17 . 1 1 114 114 LYS H H 114 8.200 8.200 8.166 0.034 18049
7671 1 17 . 1 1 115 115 GLY N N 115 108.864 108.864 108.203 0.661 18049
7672 1 17 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.633 -2.560 18049
7673 1 17 . 1 1 115 115 GLY H H 115 8.501 8.501 8.570 -0.069 18049
7674 1 17 . 1 1 116 116 HIS N N 116 113.173 113.173 120.992 -7.819 18049
7675 1 17 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.390 0.041 18049
7676 1 17 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.542 -2.142 18049
7677 1 17 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.740 -2.210 18049
7678 1 17 . 1 1 116 116 HIS H H 116 6.665 6.665 7.680 -1.015 18049
7679 1 17 . 1 1 117 117 PHE N N 117 116.353 116.353 116.834 -0.481 18049
7680 1 17 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.166 0.514 18049
7681 1 17 . 1 1 117 117 PHE CA C 117 54.084 54.084 58.070 -3.986 18049
7682 1 17 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.008 2.256 18049
7683 1 17 . 1 1 117 117 PHE H H 117 8.529 8.529 8.605 -0.076 18049
7684 1 17 . 1 1 118 118 GLY N N 118 108.977 108.977 106.564 2.413 18049
7685 1 17 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.766 -1.405 18049
7686 1 17 . 1 1 118 118 GLY H H 118 8.870 8.870 8.445 0.425 18049
7687 1 17 . 1 1 119 119 ASP N N 119 117.997 117.997 120.243 -2.246 18049
7688 1 17 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.347 -0.003 18049
7689 1 17 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.926 -3.422 18049
7690 1 17 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.967 -3.157 18049
7691 1 17 . 1 1 119 119 ASP H H 119 7.892 7.892 8.128 -0.236 18049
7692 1 17 . 1 1 120 120 ASP N N 120 116.782 116.782 118.661 -1.879 18049
7693 1 17 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.712 0.143 18049
7694 1 17 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.550 -3.865 18049
7695 1 17 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.466 -2.267 18049
7696 1 17 . 1 1 120 120 ASP H H 120 7.730 7.730 7.980 -0.250 18049
7697 1 17 . 1 1 121 121 CYS N N 121 125.836 125.836 122.453 3.383 18049
7698 1 17 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.380 0.400 18049
7699 1 17 . 1 1 121 121 CYS CA C 121 56.067 56.067 60.355 -4.288 18049
7700 1 17 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.297 0.903 18049
7701 1 17 . 1 1 121 121 CYS H H 121 7.667 7.667 8.044 -0.377 18049
7702 1 18 . 1 1 3 3 ALA N N 3 125.353 125.353 122.287 3.066 18049
7703 1 18 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.736 -0.541 18049
7704 1 18 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.505 -1.927 18049
7705 1 18 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.496 -3.685 18049
7706 1 18 . 1 1 3 3 ALA H H 3 8.182 8.182 7.614 0.568 18049
7707 1 18 . 1 1 4 4 ALA N N 4 124.707 124.707 123.520 1.187 18049
7708 1 18 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.515 -0.055 18049
7709 1 18 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.498 -5.738 18049
7710 1 18 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.467 -1.669 18049
7711 1 18 . 1 1 4 4 ALA H H 4 8.151 8.151 8.706 -0.555 18049
7712 1 18 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.360 0.110 18049
7713 1 18 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.914 -4.594 18049
7714 1 18 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.936 -2.136 18049
7715 1 18 . 1 1 6 6 LYS N N 6 121.400 121.400 115.316 6.084 18049
7716 1 18 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.948 0.315 18049
7717 1 18 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.096 -5.466 18049
7718 1 18 . 1 1 6 6 LYS CB C 6 32.000 32.000 30.601 1.399 18049
7719 1 18 . 1 1 6 6 LYS H H 6 8.230 8.230 8.803 -0.573 18049
7720 1 18 . 1 1 7 7 CYS N N 7 128.995 128.995 115.616 13.379 18049
7721 1 18 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.989 -0.875 18049
7722 1 18 . 1 1 7 7 CYS CA C 7 57.020 57.020 57.361 -0.341 18049
7723 1 18 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.979 -3.259 18049
7724 1 18 . 1 1 7 7 CYS H H 7 8.354 8.354 7.916 0.438 18049
7725 1 18 . 1 1 8 8 ASN N N 8 127.325 127.325 119.014 8.311 18049
7726 1 18 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.868 -0.163 18049
7727 1 18 . 1 1 8 8 ASN CA C 8 51.910 51.910 52.752 -0.842 18049
7728 1 18 . 1 1 8 8 ASN CB C 8 35.930 35.930 39.561 -3.631 18049
7729 1 18 . 1 1 8 8 ASN H H 8 8.659 8.659 8.513 0.146 18049
7730 1 18 . 1 1 9 9 ASN N N 9 122.394 122.394 122.256 0.138 18049
7731 1 18 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.352 0.448 18049
7732 1 18 . 1 1 9 9 ASN CA C 9 53.312 53.312 55.770 -2.458 18049
7733 1 18 . 1 1 9 9 ASN CB C 9 37.875 37.875 37.355 0.520 18049
7734 1 18 . 1 1 9 9 ASN H H 9 9.861 9.861 8.896 0.965 18049
7735 1 18 . 1 1 10 10 CYS N N 10 117.508 117.508 119.206 -1.698 18049
7736 1 18 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.569 0.136 18049
7737 1 18 . 1 1 10 10 CYS CA C 10 56.350 56.350 59.032 -2.682 18049
7738 1 18 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.391 1.149 18049
7739 1 18 . 1 1 10 10 CYS H H 10 8.814 8.814 8.031 0.783 18049
7740 1 18 . 1 1 11 11 SER N N 11 115.934 115.934 115.041 0.893 18049
7741 1 18 . 1 1 11 11 SER HA H 11 4.150 4.150 4.096 0.054 18049
7742 1 18 . 1 1 11 11 SER CA C 11 58.769 58.769 59.333 -0.564 18049
7743 1 18 . 1 1 11 11 SER CB C 11 59.635 59.635 61.676 -2.041 18049
7744 1 18 . 1 1 11 11 SER H H 11 7.821 7.821 8.501 -0.680 18049
7745 1 18 . 1 1 12 12 GLN N N 12 120.325 120.325 115.788 4.537 18049
7746 1 18 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.432 -0.071 18049
7747 1 18 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.651 -2.781 18049
7748 1 18 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.154 -2.241 18049
7749 1 18 . 1 1 12 12 GLN H H 12 8.311 8.311 8.461 -0.150 18049
7750 1 18 . 1 1 13 13 ARG N N 13 118.657 118.657 120.627 -1.970 18049
7751 1 18 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.588 -0.220 18049
7752 1 18 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.250 -2.220 18049
7753 1 18 . 1 1 13 13 ARG CB C 13 32.300 32.300 32.313 -0.013 18049
7754 1 18 . 1 1 13 13 ARG H H 13 8.430 8.430 7.661 0.769 18049
7755 1 18 . 1 1 14 14 GLY N N 14 107.015 107.015 110.767 -3.752 18049
7756 1 18 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.578 -2.848 18049
7757 1 18 . 1 1 14 14 GLY H H 14 8.706 8.706 8.737 -0.031 18049
7758 1 18 . 1 1 15 15 HIS N N 15 113.397 113.397 119.075 -5.678 18049
7759 1 18 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.587 0.013 18049
7760 1 18 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.182 -0.746 18049
7761 1 18 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.661 0.226 18049
7762 1 18 . 1 1 15 15 HIS H H 15 6.998 6.998 7.635 -0.637 18049
7763 1 18 . 1 1 16 16 LEU N N 16 117.239 117.239 122.501 -5.262 18049
7764 1 18 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.280 0.305 18049
7765 1 18 . 1 1 16 16 LEU CA C 16 50.529 50.529 55.074 -4.545 18049
7766 1 18 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.447 -0.251 18049
7767 1 18 . 1 1 16 16 LEU H H 16 8.614 8.614 8.001 0.613 18049
7768 1 18 . 1 1 17 17 LYS N N 17 122.561 122.561 121.523 1.038 18049
7769 1 18 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.986 0.794 18049
7770 1 18 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.288 -1.524 18049
7771 1 18 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.879 -2.078 18049
7772 1 18 . 1 1 17 17 LYS H H 17 8.681 8.681 8.807 -0.126 18049
7773 1 18 . 1 1 18 18 LYS N N 18 117.626 117.626 113.854 3.772 18049
7774 1 18 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.250 -0.146 18049
7775 1 18 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.529 -1.710 18049
7776 1 18 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.496 -2.741 18049
7777 1 18 . 1 1 18 18 LYS H H 18 8.320 8.320 8.211 0.109 18049
7778 1 18 . 1 1 19 19 ASP N N 19 118.071 118.071 119.192 -1.121 18049
7779 1 18 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.668 0.182 18049
7780 1 18 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.946 -5.114 18049
7781 1 18 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.961 -2.061 18049
7782 1 18 . 1 1 19 19 ASP H H 19 7.770 7.770 7.871 -0.101 18049
7783 1 18 . 1 1 20 20 CYS N N 20 123.265 123.265 120.718 2.547 18049
7784 1 18 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.897 -0.195 18049
7785 1 18 . 1 1 20 20 CYS CA C 20 59.556 59.556 56.953 2.603 18049
7786 1 18 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.395 1.101 18049
7787 1 18 . 1 1 20 20 CYS H H 20 7.275 7.275 7.915 -0.640 18049
7788 1 18 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.306 -4.406 18049
7789 1 18 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.333 -1.613 18049
7790 1 18 . 1 1 22 22 HIS N N 22 121.576 121.576 119.717 1.859 18049
7791 1 18 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.117 -2.633 18049
7792 1 18 . 1 1 22 22 HIS CB C 22 27.833 27.833 31.866 -4.033 18049
7793 1 18 . 1 1 22 22 HIS H H 22 7.882 7.882 8.305 -0.423 18049
7794 1 18 . 1 1 23 23 ILE N N 23 117.100 117.100 120.075 -2.975 18049
7795 1 18 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.046 0.124 18049
7796 1 18 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.875 -3.455 18049
7797 1 18 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.751 -0.771 18049
7798 1 18 . 1 1 23 23 ILE H H 23 8.660 8.660 7.355 1.305 18049
7799 1 18 . 1 1 24 24 ILE N N 24 126.524 126.524 123.215 3.309 18049
7800 1 18 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.363 -0.413 18049
7801 1 18 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.786 -3.096 18049
7802 1 18 . 1 1 24 24 ILE CB C 24 37.176 37.176 40.853 -3.677 18049
7803 1 18 . 1 1 24 24 ILE H H 24 8.486 8.486 8.098 0.388 18049
7804 1 18 . 1 1 25 25 CYS CA C 25 56.014 56.014 60.440 -4.426 18049
7805 1 18 . 1 1 25 25 CYS CB C 25 27.273 27.273 27.264 0.009 18049
7806 1 18 . 1 1 26 26 SER N N 26 127.811 127.811 122.408 5.403 18049
7807 1 18 . 1 1 26 26 SER HA H 26 4.050 4.050 4.142 -0.092 18049
7808 1 18 . 1 1 26 26 SER CA C 26 58.170 58.170 59.951 -1.781 18049
7809 1 18 . 1 1 26 26 SER CB C 26 60.523 60.523 62.122 -1.599 18049
7810 1 18 . 1 1 26 26 SER H H 26 9.491 9.491 9.369 0.122 18049
7811 1 18 . 1 1 27 27 TYR N N 27 124.378 124.378 117.873 6.505 18049
7812 1 18 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.203 0.322 18049
7813 1 18 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.405 -0.515 18049
7814 1 18 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.000 0.093 18049
7815 1 18 . 1 1 27 27 TYR H H 27 9.389 9.389 7.772 1.617 18049
7816 1 18 . 1 1 28 28 CYS N N 28 126.900 126.900 115.230 11.670 18049
7817 1 18 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.447 -2.526 18049
7818 1 18 . 1 1 28 28 CYS CB C 28 30.198 30.198 30.439 -0.241 18049
7819 1 18 . 1 1 28 28 CYS H H 28 8.490 8.490 8.116 0.374 18049
7820 1 18 . 1 1 29 29 GLY N N 29 113.271 113.271 106.841 6.430 18049
7821 1 18 . 1 1 29 29 GLY CA C 29 43.348 43.348 45.035 -1.687 18049
7822 1 18 . 1 1 29 29 GLY H H 29 7.792 7.792 7.319 0.473 18049
7823 1 18 . 1 1 30 30 ALA N N 30 124.805 124.805 122.688 2.117 18049
7824 1 18 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.187 -0.068 18049
7825 1 18 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.981 -0.841 18049
7826 1 18 . 1 1 30 30 ALA CB C 30 17.720 17.720 19.557 -1.837 18049
7827 1 18 . 1 1 30 30 ALA H H 30 8.541 8.541 7.894 0.647 18049
7828 1 18 . 1 1 31 31 THR N N 31 118.352 118.352 118.539 -0.187 18049
7829 1 18 . 1 1 31 31 THR CA C 31 58.082 58.082 65.457 -7.375 18049
7830 1 18 . 1 1 31 31 THR CB C 31 67.072 67.072 68.739 -1.667 18049
7831 1 18 . 1 1 31 31 THR H H 31 8.544 8.544 8.624 -0.080 18049
7832 1 18 . 1 1 32 32 ASP N N 32 123.222 123.222 119.338 3.884 18049
7833 1 18 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.584 -0.541 18049
7834 1 18 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.578 -2.429 18049
7835 1 18 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.246 -4.799 18049
7836 1 18 . 1 1 32 32 ASP H H 32 9.768 9.768 8.315 1.453 18049
7837 1 18 . 1 1 33 33 ASP N N 33 116.889 116.889 117.943 -1.054 18049
7838 1 18 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.570 -1.250 18049
7839 1 18 . 1 1 33 33 ASP CB C 33 43.190 43.190 42.480 0.710 18049
7840 1 18 . 1 1 33 33 ASP H H 33 8.111 8.111 7.851 0.260 18049
7841 1 18 . 1 1 34 34 HIS N N 34 110.849 110.849 120.513 -9.664 18049
7842 1 18 . 1 1 34 34 HIS CA C 34 53.190 53.190 55.935 -2.745 18049
7843 1 18 . 1 1 34 34 HIS CB C 34 37.770 37.770 30.035 7.735 18049
7844 1 18 . 1 1 34 34 HIS H H 34 6.959 6.959 8.229 -1.270 18049
7845 1 18 . 1 1 35 35 TYR N N 35 117.529 117.529 122.859 -5.330 18049
7846 1 18 . 1 1 35 35 TYR CA C 35 54.137 54.137 57.118 -2.981 18049
7847 1 18 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.372 -3.805 18049
7848 1 18 . 1 1 35 35 TYR H H 35 8.813 8.813 8.332 0.481 18049
7849 1 18 . 1 1 36 36 SER N N 36 121.984 121.984 117.428 4.556 18049
7850 1 18 . 1 1 36 36 SER CA C 36 57.520 57.520 60.978 -3.458 18049
7851 1 18 . 1 1 36 36 SER CB C 36 59.800 59.800 62.918 -3.118 18049
7852 1 18 . 1 1 36 36 SER H H 36 8.518 8.518 7.434 1.084 18049
7853 1 18 . 1 1 37 37 ARG N N 37 119.707 119.707 117.904 1.803 18049
7854 1 18 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.425 -5.754 18049
7855 1 18 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.271 -3.178 18049
7856 1 18 . 1 1 37 37 ARG H H 37 7.963 7.963 8.430 -0.467 18049
7857 1 18 . 1 1 38 38 HIS N N 38 125.394 125.394 117.044 8.350 18049
7858 1 18 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.428 0.848 18049
7859 1 18 . 1 1 38 38 HIS H H 38 7.443 7.443 8.125 -0.682 18049
7860 1 18 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.098 0.352 18049
7861 1 18 . 1 1 39 39 CYS CA C 39 51.680 51.680 64.629 -12.949 18049
7862 1 18 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.742 1.498 18049
7863 1 18 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.411 -0.101 18049
7864 1 18 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.825 -3.385 18049
7865 1 18 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.153 -0.853 18049
7866 1 18 . 1 1 41 41 LYS N N 41 121.400 121.400 117.796 3.604 18049
7867 1 18 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.350 -0.271 18049
7868 1 18 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.524 -1.844 18049
7869 1 18 . 1 1 41 41 LYS CB C 41 29.641 29.641 33.284 -3.643 18049
7870 1 18 . 1 1 41 41 LYS H H 41 8.650 8.650 7.847 0.803 18049
7871 1 18 . 1 1 42 42 ALA N N 42 122.096 122.096 121.985 0.111 18049
7872 1 18 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.406 -0.887 18049
7873 1 18 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.715 -3.124 18049
7874 1 18 . 1 1 42 42 ALA CB C 42 16.456 16.456 19.296 -2.840 18049
7875 1 18 . 1 1 42 42 ALA H H 42 7.201 7.201 7.755 -0.554 18049
7876 1 18 . 1 1 43 43 ILE N N 43 119.646 119.646 119.375 0.271 18049
7877 1 18 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.229 -0.498 18049
7878 1 18 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.403 -2.437 18049
7879 1 18 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.521 -1.544 18049
7880 1 18 . 1 1 43 43 ILE H H 43 7.086 7.086 7.900 -0.814 18049
7881 1 18 . 1 1 44 44 GLN N N 44 125.541 125.541 118.944 6.597 18049
7882 1 18 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.739 -0.307 18049
7883 1 18 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.186 -2.450 18049
7884 1 18 . 1 1 44 44 GLN CB C 44 28.084 28.084 32.302 -4.218 18049
7885 1 18 . 1 1 44 44 GLN H H 44 7.980 7.980 7.784 0.196 18049
7886 1 18 . 1 1 45 45 CYS N N 45 130.678 130.678 121.846 8.832 18049
7887 1 18 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.595 -0.475 18049
7888 1 18 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.205 -1.875 18049
7889 1 18 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.665 -1.665 18049
7890 1 18 . 1 1 45 45 CYS H H 45 8.353 8.353 8.474 -0.121 18049
7891 1 18 . 1 1 46 46 SER N N 46 124.273 124.273 116.444 7.829 18049
7892 1 18 . 1 1 46 46 SER HA H 46 4.334 4.334 4.505 -0.171 18049
7893 1 18 . 1 1 46 46 SER CA C 46 56.923 56.923 60.271 -3.348 18049
7894 1 18 . 1 1 46 46 SER CB C 46 60.400 60.400 63.532 -3.132 18049
7895 1 18 . 1 1 46 46 SER H H 46 8.466 8.466 8.589 -0.123 18049
7896 1 18 . 1 1 47 47 LYS N N 47 127.929 127.929 120.447 7.482 18049
7897 1 18 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.437 -0.077 18049
7898 1 18 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.968 -0.648 18049
7899 1 18 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.090 -1.790 18049
7900 1 18 . 1 1 47 47 LYS H H 47 9.720 9.720 8.460 1.260 18049
7901 1 18 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.841 -0.251 18049
7902 1 18 . 1 1 48 48 CYS CA C 48 51.500 51.500 55.737 -4.237 18049
7903 1 18 . 1 1 48 48 CYS CB C 48 28.100 28.100 31.042 -2.942 18049
7904 1 18 . 1 1 48 48 CYS H H 48 8.600 8.600 7.532 1.068 18049
7905 1 18 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.533 0.177 18049
7906 1 18 . 1 1 49 49 ASP CA C 49 54.300 54.300 55.330 -1.030 18049
7907 1 18 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.982 0.218 18049
7908 1 18 . 1 1 49 49 ASP H H 49 8.830 8.830 8.357 0.473 18049
7909 1 18 . 1 1 50 50 GLU N N 50 118.700 118.700 117.699 1.001 18049
7910 1 18 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.035 0.260 18049
7911 1 18 . 1 1 50 50 GLU CA C 50 54.340 54.340 56.973 -2.633 18049
7912 1 18 . 1 1 50 50 GLU CB C 50 28.500 28.500 29.596 -1.096 18049
7913 1 18 . 1 1 50 50 GLU H H 50 8.226 8.226 8.555 -0.329 18049
7914 1 18 . 1 1 51 51 VAL N N 51 118.593 118.593 115.899 2.694 18049
7915 1 18 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.246 0.027 18049
7916 1 18 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.654 -4.274 18049
7917 1 18 . 1 1 51 51 VAL CB C 51 30.250 30.250 32.206 -1.956 18049
7918 1 18 . 1 1 51 51 VAL H H 51 8.216 8.216 7.951 0.265 18049
7919 1 18 . 1 1 52 52 GLY N N 52 110.908 110.908 107.088 3.820 18049
7920 1 18 . 1 1 52 52 GLY CA C 52 42.690 42.690 46.251 -3.561 18049
7921 1 18 . 1 1 52 52 GLY H H 52 8.630 8.630 8.476 0.154 18049
7922 1 18 . 1 1 53 53 HIS N N 53 113.633 113.633 116.677 -3.044 18049
7923 1 18 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.563 0.027 18049
7924 1 18 . 1 1 53 53 HIS CA C 53 52.450 52.450 54.822 -2.372 18049
7925 1 18 . 1 1 53 53 HIS CB C 53 28.040 28.040 30.253 -2.213 18049
7926 1 18 . 1 1 53 53 HIS H H 53 6.855 6.855 7.439 -0.584 18049
7927 1 18 . 1 1 54 54 TYR N N 54 115.154 115.154 119.809 -4.655 18049
7928 1 18 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.453 -0.283 18049
7929 1 18 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.380 -3.579 18049
7930 1 18 . 1 1 54 54 TYR CB C 54 36.629 36.629 37.989 -1.360 18049
7931 1 18 . 1 1 54 54 TYR H H 54 8.054 8.054 8.259 -0.205 18049
7932 1 18 . 1 1 55 55 ARG N N 55 126.509 126.509 124.364 2.145 18049
7933 1 18 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.833 -0.234 18049
7934 1 18 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.025 -1.202 18049
7935 1 18 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.135 -1.914 18049
7936 1 18 . 1 1 55 55 ARG H H 55 8.490 8.490 8.995 -0.505 18049
7937 1 18 . 1 1 56 56 SER N N 56 116.450 116.450 108.702 7.748 18049
7938 1 18 . 1 1 56 56 SER CA C 56 56.523 56.523 60.370 -3.847 18049
7939 1 18 . 1 1 56 56 SER CB C 56 62.261 62.261 62.462 -0.201 18049
7940 1 18 . 1 1 56 56 SER H H 56 8.247 8.247 8.478 -0.231 18049
7941 1 18 . 1 1 57 57 GLN N N 57 124.678 124.678 118.478 6.200 18049
7942 1 18 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.491 -0.317 18049
7943 1 18 . 1 1 57 57 GLN CA C 57 53.610 53.610 54.976 -1.366 18049
7944 1 18 . 1 1 57 57 GLN CB C 57 27.060 27.060 30.909 -3.849 18049
7945 1 18 . 1 1 57 57 GLN H H 57 8.702 8.702 7.832 0.870 18049
7946 1 18 . 1 1 58 58 CYS N N 58 126.577 126.577 116.324 10.253 18049
7947 1 18 . 1 1 58 58 CYS HA H 58 4.416 4.416 3.641 0.775 18049
7948 1 18 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.925 -3.924 18049
7949 1 18 . 1 1 58 58 CYS CB C 58 31.080 31.080 24.651 6.429 18049
7950 1 18 . 1 1 58 58 CYS H H 58 7.694 7.694 7.747 -0.053 18049
7951 1 18 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.335 2.456 18049
7952 1 18 . 1 1 62 62 TRP CB C 62 27.411 27.411 31.359 -3.948 18049
7953 1 18 . 1 1 63 63 LYS N N 63 121.641 121.641 125.056 -3.415 18049
7954 1 18 . 1 1 63 63 LYS CA C 63 52.372 52.372 55.901 -3.529 18049
7955 1 18 . 1 1 63 63 LYS CB C 63 27.792 27.792 33.172 -5.380 18049
7956 1 18 . 1 1 63 63 LYS H H 63 8.033 8.033 7.915 0.118 18049
7957 1 18 . 1 1 64 64 LYS N N 64 111.775 111.775 118.157 -6.382 18049
7958 1 18 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.010 -1.267 18049
7959 1 18 . 1 1 64 64 LYS H H 64 8.104 8.104 5.714 2.390 18049
7960 1 18 . 1 1 65 65 VAL N N 65 122.037 122.037 119.240 2.797 18049
7961 1 18 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.211 -0.171 18049
7962 1 18 . 1 1 65 65 VAL CA C 65 59.290 59.290 60.251 -0.961 18049
7963 1 18 . 1 1 65 65 VAL CB C 65 29.411 29.411 33.811 -4.400 18049
7964 1 18 . 1 1 65 65 VAL H H 65 8.306 8.306 8.207 0.099 18049
7965 1 18 . 1 1 66 66 GLN N N 66 121.994 121.994 123.654 -1.660 18049
7966 1 18 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.436 -3.833 18049
7967 1 18 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.979 1.321 18049
7968 1 18 . 1 1 66 66 GLN H H 66 8.360 8.360 8.577 -0.217 18049
7969 1 18 . 1 1 67 67 CYS N N 67 121.582 121.582 117.716 3.866 18049
7970 1 18 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.789 -0.750 18049
7971 1 18 . 1 1 67 67 CYS CA C 67 59.215 59.215 57.367 1.848 18049
7972 1 18 . 1 1 67 67 CYS CB C 67 30.532 30.532 30.172 0.360 18049
7973 1 18 . 1 1 67 67 CYS H H 67 8.032 8.032 7.790 0.242 18049
7974 1 18 . 1 1 68 68 THR HA H 68 4.046 4.046 4.493 -0.447 18049
7975 1 18 . 1 1 68 68 THR CA C 68 61.228 61.228 63.379 -2.151 18049
7976 1 18 . 1 1 68 68 THR CB C 68 65.371 65.371 69.040 -3.669 18049
7977 1 18 . 1 1 69 69 LEU N N 69 124.335 124.335 116.897 7.438 18049
7978 1 18 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.484 -0.102 18049
7979 1 18 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.183 -0.754 18049
7980 1 18 . 1 1 69 69 LEU CB C 69 39.790 39.790 43.390 -3.600 18049
7981 1 18 . 1 1 69 69 LEU H H 69 9.024 9.024 7.913 1.111 18049
7982 1 18 . 1 1 70 70 CYS N N 70 118.876 118.876 120.451 -1.575 18049
7983 1 18 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.664 -0.328 18049
7984 1 18 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.869 -5.724 18049
7985 1 18 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.202 0.661 18049
7986 1 18 . 1 1 70 70 CYS H H 70 8.716 8.716 7.588 1.128 18049
7987 1 18 . 1 1 71 71 LYS N N 71 122.961 122.961 121.318 1.643 18049
7988 1 18 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.531 -0.364 18049
7989 1 18 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.487 -2.652 18049
7990 1 18 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.608 0.912 18049
7991 1 18 . 1 1 71 71 LYS H H 71 8.505 8.505 8.406 0.099 18049
7992 1 18 . 1 1 74 74 LYS CA C 74 56.238 56.238 55.751 0.487 18049
7993 1 18 . 1 1 74 74 LYS CB C 74 31.243 31.243 31.422 -0.179 18049
7994 1 18 . 1 1 75 75 HIS N N 75 111.915 111.915 118.459 -6.544 18049
7995 1 18 . 1 1 75 75 HIS HA H 75 4.460 4.460 5.029 -0.569 18049
7996 1 18 . 1 1 75 75 HIS CA C 75 52.255 52.255 54.760 -2.505 18049
7997 1 18 . 1 1 75 75 HIS CB C 75 28.700 28.700 31.383 -2.683 18049
7998 1 18 . 1 1 75 75 HIS H H 75 6.732 6.732 7.629 -0.897 18049
7999 1 18 . 1 1 78 78 GLU N N 78 118.980 118.980 118.022 0.958 18049
8000 1 18 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.175 -0.165 18049
8001 1 18 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.086 -1.606 18049
8002 1 18 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.630 4.720 18049
8003 1 18 . 1 1 78 78 GLU H H 78 8.831 8.831 8.246 0.585 18049
8004 1 18 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.309 -0.029 18049
8005 1 18 . 1 1 81 81 PRO CA C 81 61.512 61.512 65.128 -3.616 18049
8006 1 18 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.032 -2.518 18049
8007 1 18 . 1 1 82 82 SER N N 82 116.172 116.172 111.820 4.352 18049
8008 1 18 . 1 1 82 82 SER HA H 82 4.105 4.105 4.579 -0.474 18049
8009 1 18 . 1 1 82 82 SER CA C 82 58.317 58.317 58.131 0.186 18049
8010 1 18 . 1 1 82 82 SER CB C 82 60.104 60.104 63.534 -3.430 18049
8011 1 18 . 1 1 82 82 SER H H 82 8.684 8.684 8.149 0.535 18049
8012 1 18 . 1 1 83 83 ILE N N 83 118.847 118.847 123.405 -4.558 18049
8013 1 18 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.059 -1.891 18049
8014 1 18 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.102 -0.620 18049
8015 1 18 . 1 1 83 83 ILE H H 83 7.424 7.424 7.552 -0.128 18049
8016 1 18 . 1 1 84 84 TRP N N 84 115.140 115.140 129.880 -14.740 18049
8017 1 18 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.725 -3.132 18049
8018 1 18 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.076 -4.208 18049
8019 1 18 . 1 1 84 84 TRP H H 84 8.131 8.131 8.420 -0.289 18049
8020 1 18 . 1 1 85 85 ARG N N 85 118.936 118.936 123.625 -4.689 18049
8021 1 18 . 1 1 85 85 ARG CA C 85 51.218 51.218 54.390 -3.172 18049
8022 1 18 . 1 1 85 85 ARG CB C 85 29.330 29.330 31.850 -2.520 18049
8023 1 18 . 1 1 85 85 ARG H H 85 7.884 7.884 7.259 0.625 18049
8024 1 18 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.170 -0.200 18049
8025 1 18 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.536 -1.516 18049
8026 1 18 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.551 -3.151 18049
8027 1 18 . 1 1 87 87 TYR N N 87 117.965 117.965 117.742 0.223 18049
8028 1 18 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.688 -0.232 18049
8029 1 18 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.488 -2.560 18049
8030 1 18 . 1 1 87 87 TYR CB C 87 40.012 40.012 40.825 -0.813 18049
8031 1 18 . 1 1 87 87 TYR H H 87 7.733 7.733 8.304 -0.571 18049
8032 1 18 . 1 1 89 89 LEU CA C 89 55.641 55.641 56.166 -0.525 18049
8033 1 18 . 1 1 89 89 LEU CB C 89 36.799 36.799 41.529 -4.731 18049
8034 1 18 . 1 1 90 90 VAL N N 90 118.969 118.969 119.492 -0.523 18049
8035 1 18 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.404 -3.294 18049
8036 1 18 . 1 1 90 90 VAL CB C 90 30.127 30.127 34.673 -4.546 18049
8037 1 18 . 1 1 90 90 VAL H H 90 8.944 8.944 7.911 1.033 18049
8038 1 18 . 1 1 91 91 ASP N N 91 127.947 127.947 124.865 3.082 18049
8039 1 18 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.448 -3.480 18049
8040 1 18 . 1 1 91 91 ASP CB C 91 38.862 38.862 43.866 -5.004 18049
8041 1 18 . 1 1 91 91 ASP H H 91 8.320 8.320 8.389 -0.069 18049
8042 1 18 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.515 -1.497 18049
8043 1 18 . 1 1 92 92 ASP CB C 92 38.447 38.447 40.530 -2.083 18049
8044 1 18 . 1 1 93 93 ASN N N 93 118.727 118.727 119.890 -1.163 18049
8045 1 18 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.179 -2.026 18049
8046 1 18 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.026 -2.655 18049
8047 1 18 . 1 1 93 93 ASN H H 93 8.396 8.396 8.029 0.367 18049
8048 1 18 . 1 1 94 94 GLU N N 94 120.824 120.824 120.217 0.607 18049
8049 1 18 . 1 1 94 94 GLU CA C 94 54.389 54.389 57.512 -3.123 18049
8050 1 18 . 1 1 94 94 GLU CB C 94 27.270 27.270 29.488 -2.219 18049
8051 1 18 . 1 1 94 94 GLU H H 94 8.266 8.266 8.536 -0.270 18049
8052 1 18 . 1 1 95 95 LYS N N 95 121.079 121.079 124.460 -3.381 18049
8053 1 18 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.509 -0.353 18049
8054 1 18 . 1 1 95 95 LYS CA C 95 53.841 53.841 55.783 -1.942 18049
8055 1 18 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.240 -3.067 18049
8056 1 18 . 1 1 95 95 LYS H H 95 8.055 8.055 8.325 -0.270 18049
8057 1 18 . 1 1 96 96 ALA N N 96 124.103 124.103 123.972 0.131 18049
8058 1 18 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.167 0.035 18049
8059 1 18 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.430 -2.703 18049
8060 1 18 . 1 1 96 96 ALA CB C 96 16.752 16.752 18.886 -2.134 18049
8061 1 18 . 1 1 96 96 ALA H H 96 8.053 8.053 8.410 -0.357 18049
8062 1 18 . 1 1 97 97 LYS N N 97 121.893 121.893 120.177 1.716 18049
8063 1 18 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.633 0.252 18049
8064 1 18 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.634 -3.175 18049
8065 1 18 . 1 1 97 97 LYS H H 97 8.091 8.091 8.324 -0.233 18049
8066 1 18 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.494 -0.058 18049
8067 1 18 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.475 -2.450 18049
8068 1 18 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.275 -2.733 18049
8069 1 18 . 1 1 99 99 LYS N N 99 121.497 121.497 119.314 2.183 18049
8070 1 18 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.161 0.204 18049
8071 1 18 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.823 -4.164 18049
8072 1 18 . 1 1 99 99 LYS CB C 99 31.973 31.973 32.183 -0.210 18049
8073 1 18 . 1 1 99 99 LYS H H 99 8.241 8.241 8.227 0.014 18049
8074 1 18 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.532 -0.265 18049
8075 1 18 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.108 -1.705 18049
8076 1 18 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.019 -2.562 18049
8077 1 18 . 1 1 103 103 PHE N N 103 118.755 118.755 121.897 -3.142 18049
8078 1 18 . 1 1 103 103 PHE CA C 103 56.059 56.059 59.136 -3.077 18049
8079 1 18 . 1 1 103 103 PHE H H 103 8.675 8.675 9.002 -0.327 18049
8080 1 18 . 1 1 105 105 THR HA H 105 4.630 4.630 4.575 0.055 18049
8081 1 18 . 1 1 105 105 THR CA C 105 59.356 59.356 61.155 -1.799 18049
8082 1 18 . 1 1 105 105 THR CB C 105 67.299 67.299 70.062 -2.763 18049
8083 1 18 . 1 1 106 106 ILE N N 106 124.035 124.035 119.787 4.248 18049
8084 1 18 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.215 0.416 18049
8085 1 18 . 1 1 106 106 ILE CA C 106 57.730 57.730 59.627 -1.897 18049
8086 1 18 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.913 -2.006 18049
8087 1 18 . 1 1 106 106 ILE H H 106 7.833 7.833 8.018 -0.185 18049
8088 1 18 . 1 1 107 107 TYR N N 107 118.339 118.339 121.646 -3.307 18049
8089 1 18 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.287 0.253 18049
8090 1 18 . 1 1 107 107 TYR CA C 107 55.828 55.828 58.461 -2.633 18049
8091 1 18 . 1 1 107 107 TYR CB C 107 37.240 37.240 39.127 -1.887 18049
8092 1 18 . 1 1 107 107 TYR H H 107 8.925 8.925 8.221 0.704 18049
8093 1 18 . 1 1 108 108 CYS N N 108 130.380 130.380 117.351 13.029 18049
8094 1 18 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.506 -0.386 18049
8095 1 18 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.819 -1.869 18049
8096 1 18 . 1 1 108 108 CYS CB C 108 27.900 27.900 30.255 -2.355 18049
8097 1 18 . 1 1 108 108 CYS H H 108 8.335 8.335 8.247 0.088 18049
8098 1 18 . 1 1 109 109 TYR N N 109 126.618 126.618 124.083 2.535 18049
8099 1 18 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.969 -0.569 18049
8100 1 18 . 1 1 109 109 TYR CA C 109 56.270 56.270 58.285 -2.015 18049
8101 1 18 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.980 -4.480 18049
8102 1 18 . 1 1 109 109 TYR H H 109 8.011 8.011 8.681 -0.670 18049
8103 1 18 . 1 1 110 110 ASN N N 110 125.398 125.398 119.770 5.628 18049
8104 1 18 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.755 0.047 18049
8105 1 18 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.517 -0.948 18049
8106 1 18 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.562 -0.640 18049
8107 1 18 . 1 1 110 110 ASN H H 110 9.284 9.284 8.700 0.584 18049
8108 1 18 . 1 1 111 111 CYS N N 111 118.921 118.921 116.424 2.497 18049
8109 1 18 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.978 -0.068 18049
8110 1 18 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.728 -2.742 18049
8111 1 18 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.441 0.731 18049
8112 1 18 . 1 1 111 111 CYS H H 111 9.171 9.171 8.338 0.833 18049
8113 1 18 . 1 1 112 112 GLY N N 112 114.064 114.064 109.289 4.775 18049
8114 1 18 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.957 -1.676 18049
8115 1 18 . 1 1 112 112 GLY H H 112 7.840 7.840 7.804 0.036 18049
8116 1 18 . 1 1 113 113 GLY N N 113 112.541 112.541 106.010 6.531 18049
8117 1 18 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.187 -2.994 18049
8118 1 18 . 1 1 113 113 GLY H H 113 9.023 9.023 8.306 0.717 18049
8119 1 18 . 1 1 114 114 LYS N N 114 119.130 119.130 119.808 -0.678 18049
8120 1 18 . 1 1 114 114 LYS HA H 114 4.260 4.260 3.922 0.338 18049
8121 1 18 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.922 -5.172 18049
8122 1 18 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.545 -0.866 18049
8123 1 18 . 1 1 114 114 LYS H H 114 8.200 8.200 8.243 -0.043 18049
8124 1 18 . 1 1 115 115 GLY N N 115 108.864 108.864 113.444 -4.580 18049
8125 1 18 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.322 -2.248 18049
8126 1 18 . 1 1 115 115 GLY H H 115 8.501 8.501 9.064 -0.563 18049
8127 1 18 . 1 1 116 116 HIS N N 116 113.173 113.173 117.672 -4.499 18049
8128 1 18 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.624 -0.193 18049
8129 1 18 . 1 1 116 116 HIS CA C 116 52.400 52.400 53.722 -1.322 18049
8130 1 18 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.831 -3.301 18049
8131 1 18 . 1 1 116 116 HIS H H 116 6.665 6.665 7.816 -1.151 18049
8132 1 18 . 1 1 117 117 PHE N N 117 116.353 116.353 120.385 -4.032 18049
8133 1 18 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.348 0.332 18049
8134 1 18 . 1 1 117 117 PHE CA C 117 54.084 54.084 56.771 -2.687 18049
8135 1 18 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.540 1.724 18049
8136 1 18 . 1 1 117 117 PHE H H 117 8.529 8.529 8.579 -0.050 18049
8137 1 18 . 1 1 118 118 GLY N N 118 108.977 108.977 108.277 0.700 18049
8138 1 18 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.890 -1.529 18049
8139 1 18 . 1 1 118 118 GLY H H 118 8.870 8.870 7.855 1.015 18049
8140 1 18 . 1 1 119 119 ASP N N 119 117.997 117.997 120.102 -2.105 18049
8141 1 18 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.441 -0.097 18049
8142 1 18 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.792 -3.288 18049
8143 1 18 . 1 1 119 119 ASP CB C 119 37.810 37.810 41.097 -3.287 18049
8144 1 18 . 1 1 119 119 ASP H H 119 7.892 7.892 8.238 -0.346 18049
8145 1 18 . 1 1 120 120 ASP N N 120 116.782 116.782 118.939 -2.157 18049
8146 1 18 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.758 0.097 18049
8147 1 18 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.923 -4.238 18049
8148 1 18 . 1 1 120 120 ASP CB C 120 40.199 40.199 41.225 -1.026 18049
8149 1 18 . 1 1 120 120 ASP H H 120 7.730 7.730 7.934 -0.204 18049
8150 1 18 . 1 1 121 121 CYS N N 121 125.836 125.836 118.809 7.027 18049
8151 1 18 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.440 0.340 18049
8152 1 18 . 1 1 121 121 CYS CA C 121 56.067 56.067 58.538 -2.471 18049
8153 1 18 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.128 1.071 18049
8154 1 18 . 1 1 121 121 CYS H H 121 7.667 7.667 7.587 0.080 18049
8155 1 19 . 1 1 3 3 ALA N N 3 125.353 125.353 122.580 2.773 18049
8156 1 19 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.688 -0.493 18049
8157 1 19 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.854 -2.276 18049
8158 1 19 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.696 -3.885 18049
8159 1 19 . 1 1 3 3 ALA H H 3 8.182 8.182 7.766 0.416 18049
8160 1 19 . 1 1 4 4 ALA N N 4 124.707 124.707 127.713 -3.006 18049
8161 1 19 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.408 0.052 18049
8162 1 19 . 1 1 4 4 ALA CA C 4 47.760 47.760 52.663 -4.903 18049
8163 1 19 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.462 -1.664 18049
8164 1 19 . 1 1 4 4 ALA H H 4 8.151 8.151 8.756 -0.605 18049
8165 1 19 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.372 0.098 18049
8166 1 19 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.296 -3.976 18049
8167 1 19 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.727 -1.927 18049
8168 1 19 . 1 1 6 6 LYS N N 6 121.400 121.400 117.300 4.100 18049
8169 1 19 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.992 0.271 18049
8170 1 19 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.514 -5.884 18049
8171 1 19 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.424 0.576 18049
8172 1 19 . 1 1 6 6 LYS H H 6 8.230 8.230 8.667 -0.437 18049
8173 1 19 . 1 1 7 7 CYS N N 7 128.995 128.995 114.575 14.420 18049
8174 1 19 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.912 -0.798 18049
8175 1 19 . 1 1 7 7 CYS CA C 7 57.020 57.020 56.562 0.458 18049
8176 1 19 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.802 -3.082 18049
8177 1 19 . 1 1 7 7 CYS H H 7 8.354 8.354 8.308 0.046 18049
8178 1 19 . 1 1 8 8 ASN N N 8 127.325 127.325 119.906 7.419 18049
8179 1 19 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.538 0.167 18049
8180 1 19 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.435 -3.525 18049
8181 1 19 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.714 -2.784 18049
8182 1 19 . 1 1 8 8 ASN H H 8 8.659 8.659 8.759 -0.100 18049
8183 1 19 . 1 1 9 9 ASN N N 9 122.394 122.394 118.075 4.319 18049
8184 1 19 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.701 0.099 18049
8185 1 19 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.482 -0.170 18049
8186 1 19 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.046 -1.171 18049
8187 1 19 . 1 1 9 9 ASN H H 9 9.861 9.861 8.070 1.791 18049
8188 1 19 . 1 1 10 10 CYS N N 10 117.508 117.508 119.639 -2.131 18049
8189 1 19 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.686 0.019 18049
8190 1 19 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.837 -2.487 18049
8191 1 19 . 1 1 10 10 CYS CB C 10 29.540 29.540 29.222 0.318 18049
8192 1 19 . 1 1 10 10 CYS H H 10 8.814 8.814 8.227 0.587 18049
8193 1 19 . 1 1 11 11 SER N N 11 115.934 115.934 116.597 -0.663 18049
8194 1 19 . 1 1 11 11 SER HA H 11 4.150 4.150 4.168 -0.018 18049
8195 1 19 . 1 1 11 11 SER CA C 11 58.769 58.769 59.239 -0.470 18049
8196 1 19 . 1 1 11 11 SER CB C 11 59.635 59.635 62.446 -2.811 18049
8197 1 19 . 1 1 11 11 SER H H 11 7.821 7.821 8.503 -0.682 18049
8198 1 19 . 1 1 12 12 GLN N N 12 120.325 120.325 115.219 5.106 18049
8199 1 19 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.438 -0.077 18049
8200 1 19 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.728 -2.858 18049
8201 1 19 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.347 -2.434 18049
8202 1 19 . 1 1 12 12 GLN H H 12 8.311 8.311 8.548 -0.237 18049
8203 1 19 . 1 1 13 13 ARG N N 13 118.657 118.657 120.343 -1.686 18049
8204 1 19 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.483 -0.115 18049
8205 1 19 . 1 1 13 13 ARG CA C 13 53.030 53.030 55.275 -2.245 18049
8206 1 19 . 1 1 13 13 ARG CB C 13 32.300 32.300 31.907 0.393 18049
8207 1 19 . 1 1 13 13 ARG H H 13 8.430 8.430 7.799 0.631 18049
8208 1 19 . 1 1 14 14 GLY N N 14 107.015 107.015 107.870 -0.855 18049
8209 1 19 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.346 -2.616 18049
8210 1 19 . 1 1 14 14 GLY H H 14 8.706 8.706 8.557 0.149 18049
8211 1 19 . 1 1 15 15 HIS N N 15 113.397 113.397 118.205 -4.808 18049
8212 1 19 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.762 -0.162 18049
8213 1 19 . 1 1 15 15 HIS CA C 15 52.436 52.436 52.953 -0.517 18049
8214 1 19 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.914 -0.027 18049
8215 1 19 . 1 1 15 15 HIS H H 15 6.998 6.998 7.582 -0.584 18049
8216 1 19 . 1 1 16 16 LEU N N 16 117.239 117.239 122.733 -5.494 18049
8217 1 19 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.245 0.340 18049
8218 1 19 . 1 1 16 16 LEU CA C 16 50.529 50.529 55.011 -4.482 18049
8219 1 19 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.451 -0.255 18049
8220 1 19 . 1 1 16 16 LEU H H 16 8.614 8.614 7.910 0.704 18049
8221 1 19 . 1 1 17 17 LYS N N 17 122.561 122.561 121.057 1.504 18049
8222 1 19 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.931 0.849 18049
8223 1 19 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.449 -1.685 18049
8224 1 19 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.930 -2.129 18049
8225 1 19 . 1 1 17 17 LYS H H 17 8.681 8.681 8.726 -0.045 18049
8226 1 19 . 1 1 18 18 LYS N N 18 117.626 117.626 113.661 3.965 18049
8227 1 19 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.270 -0.166 18049
8228 1 19 . 1 1 18 18 LYS CA C 18 55.819 55.819 57.634 -1.815 18049
8229 1 19 . 1 1 18 18 LYS CB C 18 28.755 28.755 31.981 -3.226 18049
8230 1 19 . 1 1 18 18 LYS H H 18 8.320 8.320 8.099 0.221 18049
8231 1 19 . 1 1 19 19 ASP N N 19 118.071 118.071 120.817 -2.746 18049
8232 1 19 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.596 0.254 18049
8233 1 19 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.670 -4.838 18049
8234 1 19 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.089 -1.189 18049
8235 1 19 . 1 1 19 19 ASP H H 19 7.770 7.770 7.778 -0.008 18049
8236 1 19 . 1 1 20 20 CYS N N 20 123.265 123.265 118.868 4.397 18049
8237 1 19 . 1 1 20 20 CYS HA H 20 3.702 3.702 3.841 -0.139 18049
8238 1 19 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.847 -1.292 18049
8239 1 19 . 1 1 20 20 CYS CB C 20 28.496 28.496 26.555 1.941 18049
8240 1 19 . 1 1 20 20 CYS H H 20 7.275 7.275 7.872 -0.597 18049
8241 1 19 . 1 1 21 21 PRO CA C 21 58.900 58.900 62.664 -3.764 18049
8242 1 19 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.691 -0.971 18049
8243 1 19 . 1 1 22 22 HIS N N 22 121.576 121.576 114.426 7.150 18049
8244 1 19 . 1 1 22 22 HIS CA C 22 52.484 52.484 55.697 -3.213 18049
8245 1 19 . 1 1 22 22 HIS CB C 22 27.833 27.833 27.501 0.332 18049
8246 1 19 . 1 1 22 22 HIS H H 22 7.882 7.882 8.158 -0.276 18049
8247 1 19 . 1 1 23 23 ILE N N 23 117.100 117.100 118.949 -1.849 18049
8248 1 19 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.162 0.008 18049
8249 1 19 . 1 1 23 23 ILE CA C 23 57.420 57.420 58.299 -0.879 18049
8250 1 19 . 1 1 23 23 ILE CB C 23 36.980 36.980 41.311 -4.331 18049
8251 1 19 . 1 1 23 23 ILE H H 23 8.660 8.660 7.472 1.188 18049
8252 1 19 . 1 1 24 24 ILE N N 24 126.524 126.524 118.556 7.968 18049
8253 1 19 . 1 1 24 24 ILE HA H 24 3.950 3.950 2.604 1.346 18049
8254 1 19 . 1 1 24 24 ILE CA C 24 56.690 56.690 61.891 -5.200 18049
8255 1 19 . 1 1 24 24 ILE CB C 24 37.176 37.176 37.077 0.099 18049
8256 1 19 . 1 1 24 24 ILE H H 24 8.486 8.486 8.052 0.434 18049
8257 1 19 . 1 1 25 25 CYS CA C 25 56.014 56.014 58.457 -2.443 18049
8258 1 19 . 1 1 25 25 CYS CB C 25 27.273 27.273 29.348 -2.075 18049
8259 1 19 . 1 1 26 26 SER N N 26 127.811 127.811 114.497 13.314 18049
8260 1 19 . 1 1 26 26 SER HA H 26 4.050 4.050 4.533 -0.483 18049
8261 1 19 . 1 1 26 26 SER CA C 26 58.170 58.170 57.270 0.900 18049
8262 1 19 . 1 1 26 26 SER CB C 26 60.523 60.523 64.435 -3.912 18049
8263 1 19 . 1 1 26 26 SER H H 26 9.491 9.491 7.521 1.970 18049
8264 1 19 . 1 1 27 27 TYR N N 27 124.378 124.378 124.570 -0.192 18049
8265 1 19 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.547 -0.022 18049
8266 1 19 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.294 -0.404 18049
8267 1 19 . 1 1 27 27 TYR CB C 27 37.093 37.093 36.330 0.763 18049
8268 1 19 . 1 1 27 27 TYR H H 27 9.389 9.389 8.547 0.842 18049
8269 1 19 . 1 1 28 28 CYS N N 28 126.900 126.900 114.831 12.069 18049
8270 1 19 . 1 1 28 28 CYS CA C 28 55.921 55.921 56.606 -0.685 18049
8271 1 19 . 1 1 28 28 CYS CB C 28 30.198 30.198 31.759 -1.561 18049
8272 1 19 . 1 1 28 28 CYS H H 28 8.490 8.490 7.835 0.655 18049
8273 1 19 . 1 1 29 29 GLY N N 29 113.271 113.271 109.649 3.622 18049
8274 1 19 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.961 -1.613 18049
8275 1 19 . 1 1 29 29 GLY H H 29 7.792 7.792 8.766 -0.974 18049
8276 1 19 . 1 1 30 30 ALA N N 30 124.805 124.805 122.006 2.799 18049
8277 1 19 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.730 -0.611 18049
8278 1 19 . 1 1 30 30 ALA CA C 30 51.140 51.140 50.553 0.587 18049
8279 1 19 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.869 -3.149 18049
8280 1 19 . 1 1 30 30 ALA H H 30 8.541 8.541 8.217 0.324 18049
8281 1 19 . 1 1 31 31 THR N N 31 118.352 118.352 115.070 3.282 18049
8282 1 19 . 1 1 31 31 THR CA C 31 58.082 58.082 64.338 -6.256 18049
8283 1 19 . 1 1 31 31 THR CB C 31 67.072 67.072 68.472 -1.401 18049
8284 1 19 . 1 1 31 31 THR H H 31 8.544 8.544 8.732 -0.188 18049
8285 1 19 . 1 1 32 32 ASP N N 32 123.222 123.222 117.903 5.319 18049
8286 1 19 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.756 -0.713 18049
8287 1 19 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.102 -0.953 18049
8288 1 19 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.881 -5.434 18049
8289 1 19 . 1 1 32 32 ASP H H 32 9.768 9.768 8.164 1.604 18049
8290 1 19 . 1 1 33 33 ASP N N 33 116.889 116.889 118.247 -1.358 18049
8291 1 19 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.800 -1.480 18049
8292 1 19 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.823 1.367 18049
8293 1 19 . 1 1 33 33 ASP H H 33 8.111 8.111 7.723 0.388 18049
8294 1 19 . 1 1 34 34 HIS N N 34 110.849 110.849 126.310 -15.461 18049
8295 1 19 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.609 -3.419 18049
8296 1 19 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.734 6.036 18049
8297 1 19 . 1 1 34 34 HIS H H 34 6.959 6.959 8.698 -1.739 18049
8298 1 19 . 1 1 35 35 TYR N N 35 117.529 117.529 120.070 -2.541 18049
8299 1 19 . 1 1 35 35 TYR CA C 35 54.137 54.137 60.231 -6.094 18049
8300 1 19 . 1 1 35 35 TYR CB C 35 37.567 37.567 38.173 -0.606 18049
8301 1 19 . 1 1 35 35 TYR H H 35 8.813 8.813 8.292 0.521 18049
8302 1 19 . 1 1 36 36 SER N N 36 121.984 121.984 113.252 8.732 18049
8303 1 19 . 1 1 36 36 SER CA C 36 57.520 57.520 59.333 -1.812 18049
8304 1 19 . 1 1 36 36 SER CB C 36 59.800 59.800 63.540 -3.740 18049
8305 1 19 . 1 1 36 36 SER H H 36 8.518 8.518 8.156 0.362 18049
8306 1 19 . 1 1 37 37 ARG N N 37 119.707 119.707 120.915 -1.208 18049
8307 1 19 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.072 -5.401 18049
8308 1 19 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.635 -3.542 18049
8309 1 19 . 1 1 37 37 ARG H H 37 7.963 7.963 8.589 -0.626 18049
8310 1 19 . 1 1 38 38 HIS N N 38 125.394 125.394 118.127 7.267 18049
8311 1 19 . 1 1 38 38 HIS CA C 38 56.276 56.276 53.730 2.546 18049
8312 1 19 . 1 1 38 38 HIS H H 38 7.443 7.443 7.772 -0.329 18049
8313 1 19 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.159 0.291 18049
8314 1 19 . 1 1 39 39 CYS CA C 39 51.680 51.680 62.715 -11.034 18049
8315 1 19 . 1 1 39 39 CYS CB C 39 28.240 28.240 27.169 1.071 18049
8316 1 19 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.450 -0.140 18049
8317 1 19 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.483 -3.043 18049
8318 1 19 . 1 1 40 40 PRO CB C 40 30.300 30.300 29.782 0.518 18049
8319 1 19 . 1 1 41 41 LYS N N 41 121.400 121.400 122.033 -0.633 18049
8320 1 19 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.601 -0.522 18049
8321 1 19 . 1 1 41 41 LYS CA C 41 53.680 53.680 54.038 -0.358 18049
8322 1 19 . 1 1 41 41 LYS CB C 41 29.641 29.641 35.099 -5.457 18049
8323 1 19 . 1 1 41 41 LYS H H 41 8.650 8.650 8.080 0.570 18049
8324 1 19 . 1 1 42 42 ALA N N 42 122.096 122.096 121.964 0.132 18049
8325 1 19 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.078 -0.559 18049
8326 1 19 . 1 1 42 42 ALA CA C 42 49.591 49.591 54.444 -4.853 18049
8327 1 19 . 1 1 42 42 ALA CB C 42 16.456 16.456 18.294 -1.838 18049
8328 1 19 . 1 1 42 42 ALA H H 42 7.201 7.201 8.686 -1.485 18049
8329 1 19 . 1 1 43 43 ILE N N 43 119.646 119.646 121.987 -2.341 18049
8330 1 19 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.379 -0.648 18049
8331 1 19 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.497 -2.531 18049
8332 1 19 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.957 -1.980 18049
8333 1 19 . 1 1 43 43 ILE H H 43 7.086 7.086 8.013 -0.927 18049
8334 1 19 . 1 1 44 44 GLN N N 44 125.541 125.541 123.600 1.941 18049
8335 1 19 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.662 -0.230 18049
8336 1 19 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.051 -2.315 18049
8337 1 19 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.559 -3.475 18049
8338 1 19 . 1 1 44 44 GLN H H 44 7.980 7.980 8.241 -0.261 18049
8339 1 19 . 1 1 45 45 CYS N N 45 130.678 130.678 120.624 10.054 18049
8340 1 19 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.463 -0.343 18049
8341 1 19 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.823 -2.493 18049
8342 1 19 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.455 -1.455 18049
8343 1 19 . 1 1 45 45 CYS H H 45 8.353 8.353 8.088 0.265 18049
8344 1 19 . 1 1 46 46 SER N N 46 124.273 124.273 117.149 7.124 18049
8345 1 19 . 1 1 46 46 SER HA H 46 4.334 4.334 4.380 -0.046 18049
8346 1 19 . 1 1 46 46 SER CA C 46 56.923 56.923 60.489 -3.566 18049
8347 1 19 . 1 1 46 46 SER CB C 46 60.400 60.400 63.037 -2.637 18049
8348 1 19 . 1 1 46 46 SER H H 46 8.466 8.466 8.878 -0.412 18049
8349 1 19 . 1 1 47 47 LYS N N 47 127.929 127.929 117.932 9.997 18049
8350 1 19 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.560 -0.200 18049
8351 1 19 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.298 0.022 18049
8352 1 19 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.846 -1.546 18049
8353 1 19 . 1 1 47 47 LYS H H 47 9.720 9.720 8.394 1.326 18049
8354 1 19 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.806 -0.216 18049
8355 1 19 . 1 1 48 48 CYS CA C 48 51.500 51.500 56.604 -5.104 18049
8356 1 19 . 1 1 48 48 CYS CB C 48 28.100 28.100 31.088 -2.988 18049
8357 1 19 . 1 1 48 48 CYS H H 48 8.600 8.600 7.546 1.054 18049
8358 1 19 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.515 0.195 18049
8359 1 19 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.665 -0.365 18049
8360 1 19 . 1 1 49 49 ASP CB C 49 41.200 41.200 40.771 0.429 18049
8361 1 19 . 1 1 49 49 ASP H H 49 8.830 8.830 8.206 0.624 18049
8362 1 19 . 1 1 50 50 GLU N N 50 118.700 118.700 116.947 1.753 18049
8363 1 19 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.182 0.113 18049
8364 1 19 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.266 -2.926 18049
8365 1 19 . 1 1 50 50 GLU CB C 50 28.500 28.500 29.926 -1.426 18049
8366 1 19 . 1 1 50 50 GLU H H 50 8.226 8.226 8.574 -0.348 18049
8367 1 19 . 1 1 51 51 VAL N N 51 118.593 118.593 116.203 2.390 18049
8368 1 19 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.395 -0.122 18049
8369 1 19 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.846 -4.466 18049
8370 1 19 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.517 -1.267 18049
8371 1 19 . 1 1 51 51 VAL H H 51 8.216 8.216 8.279 -0.063 18049
8372 1 19 . 1 1 52 52 GLY N N 52 110.908 110.908 109.024 1.884 18049
8373 1 19 . 1 1 52 52 GLY CA C 52 42.690 42.690 47.232 -4.542 18049
8374 1 19 . 1 1 52 52 GLY H H 52 8.630 8.630 8.503 0.127 18049
8375 1 19 . 1 1 53 53 HIS N N 53 113.633 113.633 116.011 -2.378 18049
8376 1 19 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.500 0.090 18049
8377 1 19 . 1 1 53 53 HIS CA C 53 52.450 52.450 56.921 -4.471 18049
8378 1 19 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.947 -1.907 18049
8379 1 19 . 1 1 53 53 HIS H H 53 6.855 6.855 8.278 -1.423 18049
8380 1 19 . 1 1 54 54 TYR N N 54 115.154 115.154 119.197 -4.043 18049
8381 1 19 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.482 -0.312 18049
8382 1 19 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.862 -4.062 18049
8383 1 19 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.243 -3.614 18049
8384 1 19 . 1 1 54 54 TYR H H 54 8.054 8.054 7.226 0.828 18049
8385 1 19 . 1 1 55 55 ARG N N 55 126.509 126.509 128.004 -1.495 18049
8386 1 19 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.712 -0.113 18049
8387 1 19 . 1 1 55 55 ARG CA C 55 55.823 55.823 56.723 -0.900 18049
8388 1 19 . 1 1 55 55 ARG CB C 55 26.221 26.221 28.406 -2.185 18049
8389 1 19 . 1 1 55 55 ARG H H 55 8.490 8.490 8.403 0.087 18049
8390 1 19 . 1 1 56 56 SER N N 56 116.450 116.450 110.435 6.015 18049
8391 1 19 . 1 1 56 56 SER CA C 56 56.523 56.523 60.170 -3.647 18049
8392 1 19 . 1 1 56 56 SER CB C 56 62.261 62.261 61.793 0.468 18049
8393 1 19 . 1 1 56 56 SER H H 56 8.247 8.247 8.503 -0.256 18049
8394 1 19 . 1 1 57 57 GLN N N 57 124.678 124.678 118.253 6.425 18049
8395 1 19 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.128 0.046 18049
8396 1 19 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.952 -2.342 18049
8397 1 19 . 1 1 57 57 GLN CB C 57 27.060 27.060 30.877 -3.817 18049
8398 1 19 . 1 1 57 57 GLN H H 57 8.702 8.702 7.994 0.708 18049
8399 1 19 . 1 1 58 58 CYS N N 58 126.577 126.577 121.143 5.434 18049
8400 1 19 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.198 0.218 18049
8401 1 19 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.639 -3.638 18049
8402 1 19 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.011 4.069 18049
8403 1 19 . 1 1 58 58 CYS H H 58 7.694 7.694 7.979 -0.285 18049
8404 1 19 . 1 1 62 62 TRP CA C 62 59.791 59.791 56.500 3.291 18049
8405 1 19 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.724 -3.313 18049
8406 1 19 . 1 1 63 63 LYS N N 63 121.641 121.641 121.555 0.086 18049
8407 1 19 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.484 -4.112 18049
8408 1 19 . 1 1 63 63 LYS CB C 63 27.792 27.792 31.985 -4.193 18049
8409 1 19 . 1 1 63 63 LYS H H 63 8.033 8.033 6.761 1.272 18049
8410 1 19 . 1 1 64 64 LYS N N 64 111.775 111.775 126.042 -14.267 18049
8411 1 19 . 1 1 64 64 LYS CA C 64 53.743 53.743 56.174 -2.431 18049
8412 1 19 . 1 1 64 64 LYS H H 64 8.104 8.104 8.237 -0.133 18049
8413 1 19 . 1 1 65 65 VAL N N 65 122.037 122.037 126.533 -4.496 18049
8414 1 19 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.047 -0.007 18049
8415 1 19 . 1 1 65 65 VAL CA C 65 59.290 59.290 65.221 -5.931 18049
8416 1 19 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.106 -2.695 18049
8417 1 19 . 1 1 65 65 VAL H H 65 8.306 8.306 8.799 -0.493 18049
8418 1 19 . 1 1 66 66 GLN N N 66 121.994 121.994 118.104 3.890 18049
8419 1 19 . 1 1 66 66 GLN CA C 66 53.603 53.603 58.153 -4.550 18049
8420 1 19 . 1 1 66 66 GLN CB C 66 30.300 30.300 27.895 2.405 18049
8421 1 19 . 1 1 66 66 GLN H H 66 8.360 8.360 8.852 -0.492 18049
8422 1 19 . 1 1 67 67 CYS N N 67 121.582 121.582 118.956 2.626 18049
8423 1 19 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.475 -0.436 18049
8424 1 19 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.723 -0.508 18049
8425 1 19 . 1 1 67 67 CYS CB C 67 30.532 30.532 27.658 2.874 18049
8426 1 19 . 1 1 67 67 CYS H H 67 8.032 8.032 8.166 -0.134 18049
8427 1 19 . 1 1 68 68 THR HA H 68 4.046 4.046 4.001 0.045 18049
8428 1 19 . 1 1 68 68 THR CA C 68 61.228 61.228 65.443 -4.215 18049
8429 1 19 . 1 1 68 68 THR CB C 68 65.371 65.371 67.832 -2.461 18049
8430 1 19 . 1 1 69 69 LEU N N 69 124.335 124.335 117.734 6.601 18049
8431 1 19 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.652 -0.270 18049
8432 1 19 . 1 1 69 69 LEU CA C 69 54.429 54.429 56.316 -1.887 18049
8433 1 19 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.715 -1.925 18049
8434 1 19 . 1 1 69 69 LEU H H 69 9.024 9.024 7.683 1.341 18049
8435 1 19 . 1 1 70 70 CYS N N 70 118.876 118.876 119.354 -0.478 18049
8436 1 19 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.708 -0.372 18049
8437 1 19 . 1 1 70 70 CYS CA C 70 53.145 53.145 59.002 -5.857 18049
8438 1 19 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.575 0.288 18049
8439 1 19 . 1 1 70 70 CYS H H 70 8.716 8.716 7.598 1.118 18049
8440 1 19 . 1 1 71 71 LYS N N 71 122.961 122.961 120.182 2.779 18049
8441 1 19 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.500 -0.333 18049
8442 1 19 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.331 -2.496 18049
8443 1 19 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.845 0.675 18049
8444 1 19 . 1 1 71 71 LYS H H 71 8.505 8.505 8.475 0.030 18049
8445 1 19 . 1 1 74 74 LYS CA C 74 56.238 56.238 57.703 -1.465 18049
8446 1 19 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.497 -1.254 18049
8447 1 19 . 1 1 75 75 HIS N N 75 111.915 111.915 117.420 -5.505 18049
8448 1 19 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.785 -0.325 18049
8449 1 19 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.462 -3.207 18049
8450 1 19 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.498 -1.798 18049
8451 1 19 . 1 1 75 75 HIS H H 75 6.732 6.732 8.539 -1.807 18049
8452 1 19 . 1 1 78 78 GLU N N 78 118.980 118.980 113.765 5.215 18049
8453 1 19 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.892 0.118 18049
8454 1 19 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.760 -1.280 18049
8455 1 19 . 1 1 78 78 GLU CB C 78 34.350 34.350 29.093 5.257 18049
8456 1 19 . 1 1 78 78 GLU H H 78 8.831 8.831 8.147 0.684 18049
8457 1 19 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.649 -0.369 18049
8458 1 19 . 1 1 81 81 PRO CA C 81 61.512 61.512 62.901 -1.389 18049
8459 1 19 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.400 -2.886 18049
8460 1 19 . 1 1 82 82 SER N N 82 116.172 116.172 115.172 1.000 18049
8461 1 19 . 1 1 82 82 SER HA H 82 4.105 4.105 4.385 -0.280 18049
8462 1 19 . 1 1 82 82 SER CA C 82 58.317 58.317 57.835 0.482 18049
8463 1 19 . 1 1 82 82 SER CB C 82 60.104 60.104 63.639 -3.535 18049
8464 1 19 . 1 1 82 82 SER H H 82 8.684 8.684 8.214 0.470 18049
8465 1 19 . 1 1 83 83 ILE N N 83 118.847 118.847 122.414 -3.567 18049
8466 1 19 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.926 -1.758 18049
8467 1 19 . 1 1 83 83 ILE CB C 83 38.482 38.482 38.929 -0.447 18049
8468 1 19 . 1 1 83 83 ILE H H 83 7.424 7.424 8.273 -0.849 18049
8469 1 19 . 1 1 84 84 TRP N N 84 115.140 115.140 128.469 -13.329 18049
8470 1 19 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.029 -3.436 18049
8471 1 19 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.555 -3.687 18049
8472 1 19 . 1 1 84 84 TRP H H 84 8.131 8.131 8.449 -0.318 18049
8473 1 19 . 1 1 85 85 ARG N N 85 118.936 118.936 125.942 -7.006 18049
8474 1 19 . 1 1 85 85 ARG CA C 85 51.218 51.218 54.484 -3.266 18049
8475 1 19 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.994 -1.664 18049
8476 1 19 . 1 1 85 85 ARG H H 85 7.884 7.884 6.887 0.997 18049
8477 1 19 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.048 -0.078 18049
8478 1 19 . 1 1 86 86 ALA CA C 86 50.020 50.020 51.655 -1.635 18049
8479 1 19 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.173 -2.773 18049
8480 1 19 . 1 1 87 87 TYR N N 87 117.965 117.965 120.536 -2.571 18049
8481 1 19 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.238 0.218 18049
8482 1 19 . 1 1 87 87 TYR CA C 87 54.928 54.928 58.146 -3.218 18049
8483 1 19 . 1 1 87 87 TYR CB C 87 40.012 40.012 38.878 1.134 18049
8484 1 19 . 1 1 87 87 TYR H H 87 7.733 7.733 7.952 -0.219 18049
8485 1 19 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.645 0.996 18049
8486 1 19 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.400 -5.601 18049
8487 1 19 . 1 1 90 90 VAL N N 90 118.969 118.969 122.148 -3.179 18049
8488 1 19 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.273 -3.163 18049
8489 1 19 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.647 -2.520 18049
8490 1 19 . 1 1 90 90 VAL H H 90 8.944 8.944 8.175 0.769 18049
8491 1 19 . 1 1 91 91 ASP N N 91 127.947 127.947 126.676 1.271 18049
8492 1 19 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.825 -3.857 18049
8493 1 19 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.474 -2.612 18049
8494 1 19 . 1 1 91 91 ASP H H 91 8.320 8.320 8.237 0.083 18049
8495 1 19 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.278 -1.260 18049
8496 1 19 . 1 1 92 92 ASP CB C 92 38.447 38.447 42.822 -4.375 18049
8497 1 19 . 1 1 93 93 ASN N N 93 118.727 118.727 119.522 -0.795 18049
8498 1 19 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.687 -1.534 18049
8499 1 19 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.600 -3.229 18049
8500 1 19 . 1 1 93 93 ASN H H 93 8.396 8.396 8.380 0.016 18049
8501 1 19 . 1 1 94 94 GLU N N 94 120.824 120.824 120.358 0.466 18049
8502 1 19 . 1 1 94 94 GLU CA C 94 54.389 54.389 55.939 -1.550 18049
8503 1 19 . 1 1 94 94 GLU CB C 94 27.270 27.270 31.255 -3.985 18049
8504 1 19 . 1 1 94 94 GLU H H 94 8.266 8.266 8.085 0.181 18049
8505 1 19 . 1 1 95 95 LYS N N 95 121.079 121.079 117.999 3.080 18049
8506 1 19 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.110 0.046 18049
8507 1 19 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.348 -2.507 18049
8508 1 19 . 1 1 95 95 LYS CB C 95 30.173 30.173 31.253 -1.081 18049
8509 1 19 . 1 1 95 95 LYS H H 95 8.055 8.055 8.366 -0.311 18049
8510 1 19 . 1 1 96 96 ALA N N 96 124.103 124.103 122.125 1.978 18049
8511 1 19 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.368 -0.166 18049
8512 1 19 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.317 -2.590 18049
8513 1 19 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.787 -3.035 18049
8514 1 19 . 1 1 96 96 ALA H H 96 8.053 8.053 7.748 0.305 18049
8515 1 19 . 1 1 97 97 LYS N N 97 121.893 121.893 121.984 -0.091 18049
8516 1 19 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.576 0.309 18049
8517 1 19 . 1 1 97 97 LYS CA C 97 51.459 51.459 53.910 -2.451 18049
8518 1 19 . 1 1 97 97 LYS H H 97 8.091 8.091 8.201 -0.110 18049
8519 1 19 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.478 -0.042 18049
8520 1 19 . 1 1 98 98 PRO CA C 98 60.025 60.025 62.800 -2.775 18049
8521 1 19 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.406 -2.864 18049
8522 1 19 . 1 1 99 99 LYS N N 99 121.497 121.497 121.783 -0.286 18049
8523 1 19 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.434 -0.069 18049
8524 1 19 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.998 -3.339 18049
8525 1 19 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.032 -1.059 18049
8526 1 19 . 1 1 99 99 LYS H H 99 8.241 8.241 8.346 -0.105 18049
8527 1 19 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.307 -0.040 18049
8528 1 19 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.859 -1.456 18049
8529 1 19 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.310 -2.853 18049
8530 1 19 . 1 1 103 103 PHE N N 103 118.755 118.755 119.667 -0.912 18049
8531 1 19 . 1 1 103 103 PHE CA C 103 56.059 56.059 58.091 -2.032 18049
8532 1 19 . 1 1 103 103 PHE H H 103 8.675 8.675 8.364 0.311 18049
8533 1 19 . 1 1 105 105 THR HA H 105 4.630 4.630 4.128 0.502 18049
8534 1 19 . 1 1 105 105 THR CA C 105 59.356 59.356 61.620 -2.264 18049
8535 1 19 . 1 1 105 105 THR CB C 105 67.299 67.299 69.557 -2.258 18049
8536 1 19 . 1 1 106 106 ILE N N 106 124.035 124.035 119.389 4.646 18049
8537 1 19 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.397 0.234 18049
8538 1 19 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.576 -2.846 18049
8539 1 19 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.304 -1.397 18049
8540 1 19 . 1 1 106 106 ILE H H 106 7.833 7.833 7.646 0.187 18049
8541 1 19 . 1 1 107 107 TYR N N 107 118.339 118.339 117.322 1.017 18049
8542 1 19 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.883 -0.343 18049
8543 1 19 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.357 -0.529 18049
8544 1 19 . 1 1 107 107 TYR CB C 107 37.240 37.240 39.816 -2.576 18049
8545 1 19 . 1 1 107 107 TYR H H 107 8.925 8.925 6.763 2.162 18049
8546 1 19 . 1 1 108 108 CYS N N 108 130.380 130.380 119.563 10.817 18049
8547 1 19 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.615 -0.495 18049
8548 1 19 . 1 1 108 108 CYS CA C 108 55.950 55.950 57.162 -1.212 18049
8549 1 19 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.626 -0.726 18049
8550 1 19 . 1 1 108 108 CYS H H 108 8.335 8.335 8.397 -0.062 18049
8551 1 19 . 1 1 109 109 TYR N N 109 126.618 126.618 121.787 4.831 18049
8552 1 19 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.185 0.215 18049
8553 1 19 . 1 1 109 109 TYR CA C 109 56.270 56.270 61.965 -5.695 18049
8554 1 19 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.963 -3.463 18049
8555 1 19 . 1 1 109 109 TYR H H 109 8.011 8.011 8.446 -0.435 18049
8556 1 19 . 1 1 110 110 ASN N N 110 125.398 125.398 116.164 9.234 18049
8557 1 19 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.606 0.196 18049
8558 1 19 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.793 -1.224 18049
8559 1 19 . 1 1 110 110 ASN CB C 110 37.922 37.922 37.556 0.366 18049
8560 1 19 . 1 1 110 110 ASN H H 110 9.284 9.284 8.657 0.627 18049
8561 1 19 . 1 1 111 111 CYS N N 111 118.921 118.921 117.163 1.758 18049
8562 1 19 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.488 0.422 18049
8563 1 19 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.980 -2.994 18049
8564 1 19 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.101 1.071 18049
8565 1 19 . 1 1 111 111 CYS H H 111 9.171 9.171 7.791 1.380 18049
8566 1 19 . 1 1 112 112 GLY N N 112 114.064 114.064 107.781 6.283 18049
8567 1 19 . 1 1 112 112 GLY CA C 112 43.281 43.281 44.730 -1.449 18049
8568 1 19 . 1 1 112 112 GLY H H 112 7.840 7.840 7.722 0.118 18049
8569 1 19 . 1 1 113 113 GLY N N 113 112.541 112.541 107.232 5.309 18049
8570 1 19 . 1 1 113 113 GLY CA C 113 41.193 41.193 45.184 -3.991 18049
8571 1 19 . 1 1 113 113 GLY H H 113 9.023 9.023 7.485 1.538 18049
8572 1 19 . 1 1 114 114 LYS N N 114 119.130 119.130 120.741 -1.611 18049
8573 1 19 . 1 1 114 114 LYS HA H 114 4.260 4.260 3.898 0.362 18049
8574 1 19 . 1 1 114 114 LYS CA C 114 52.750 52.750 57.193 -4.443 18049
8575 1 19 . 1 1 114 114 LYS CB C 114 31.680 31.680 31.841 -0.161 18049
8576 1 19 . 1 1 114 114 LYS H H 114 8.200 8.200 8.342 -0.142 18049
8577 1 19 . 1 1 115 115 GLY N N 115 108.864 108.864 104.714 4.150 18049
8578 1 19 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.332 -2.259 18049
8579 1 19 . 1 1 115 115 GLY H H 115 8.501 8.501 8.024 0.477 18049
8580 1 19 . 1 1 116 116 HIS N N 116 113.173 113.173 117.051 -3.878 18049
8581 1 19 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.497 -0.066 18049
8582 1 19 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.888 -2.488 18049
8583 1 19 . 1 1 116 116 HIS CB C 116 27.530 27.530 31.452 -3.922 18049
8584 1 19 . 1 1 116 116 HIS H H 116 6.665 6.665 7.287 -0.622 18049
8585 1 19 . 1 1 117 117 PHE N N 117 116.353 116.353 118.568 -2.215 18049
8586 1 19 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.039 0.641 18049
8587 1 19 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.676 -3.592 18049
8588 1 19 . 1 1 117 117 PHE CB C 117 38.264 38.264 37.069 1.195 18049
8589 1 19 . 1 1 117 117 PHE H H 117 8.529 8.529 8.937 -0.408 18049
8590 1 19 . 1 1 118 118 GLY N N 118 108.977 108.977 108.506 0.471 18049
8591 1 19 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.044 -0.683 18049
8592 1 19 . 1 1 118 118 GLY H H 118 8.870 8.870 8.513 0.357 18049
8593 1 19 . 1 1 119 119 ASP N N 119 117.997 117.997 119.146 -1.149 18049
8594 1 19 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.444 -0.100 18049
8595 1 19 . 1 1 119 119 ASP CA C 119 53.504 53.504 55.955 -2.451 18049
8596 1 19 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.878 -3.068 18049
8597 1 19 . 1 1 119 119 ASP H H 119 7.892 7.892 8.234 -0.342 18049
8598 1 19 . 1 1 120 120 ASP N N 120 116.782 116.782 117.063 -0.281 18049
8599 1 19 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.694 0.161 18049
8600 1 19 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.227 -3.542 18049
8601 1 19 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.989 -2.790 18049
8602 1 19 . 1 1 120 120 ASP H H 120 7.730 7.730 7.838 -0.108 18049
8603 1 19 . 1 1 121 121 CYS N N 121 125.836 125.836 121.178 4.658 18049
8604 1 19 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.545 0.235 18049
8605 1 19 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.202 -3.135 18049
8606 1 19 . 1 1 121 121 CYS CB C 121 28.200 28.200 28.538 -0.338 18049
8607 1 19 . 1 1 121 121 CYS H H 121 7.667 7.667 8.063 -0.396 18049
8608 1 20 . 1 1 3 3 ALA N N 3 125.353 125.353 124.835 0.518 18049
8609 1 20 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.760 -0.565 18049
8610 1 20 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.285 -1.707 18049
8611 1 20 . 1 1 3 3 ALA CB C 3 16.811 16.811 20.490 -3.679 18049
8612 1 20 . 1 1 3 3 ALA H H 3 8.182 8.182 8.315 -0.133 18049
8613 1 20 . 1 1 4 4 ALA N N 4 124.707 124.707 127.311 -2.604 18049
8614 1 20 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.589 -0.129 18049
8615 1 20 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.532 -5.772 18049
8616 1 20 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.038 -1.240 18049
8617 1 20 . 1 1 4 4 ALA H H 4 8.151 8.151 8.767 -0.616 18049
8618 1 20 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.266 0.204 18049
8619 1 20 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.865 -4.545 18049
8620 1 20 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.891 -2.091 18049
8621 1 20 . 1 1 6 6 LYS N N 6 121.400 121.400 115.661 5.739 18049
8622 1 20 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.942 0.321 18049
8623 1 20 . 1 1 6 6 LYS CA C 6 52.630 52.630 58.099 -5.469 18049
8624 1 20 . 1 1 6 6 LYS CB C 6 32.000 32.000 30.675 1.325 18049
8625 1 20 . 1 1 6 6 LYS H H 6 8.230 8.230 8.452 -0.222 18049
8626 1 20 . 1 1 7 7 CYS N N 7 128.995 128.995 116.510 12.485 18049
8627 1 20 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.905 -0.791 18049
8628 1 20 . 1 1 7 7 CYS CA C 7 57.020 57.020 56.879 0.141 18049
8629 1 20 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.895 -3.175 18049
8630 1 20 . 1 1 7 7 CYS H H 7 8.354 8.354 7.871 0.483 18049
8631 1 20 . 1 1 8 8 ASN N N 8 127.325 127.325 122.390 4.935 18049
8632 1 20 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.556 0.149 18049
8633 1 20 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.527 -3.617 18049
8634 1 20 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.766 -2.836 18049
8635 1 20 . 1 1 8 8 ASN H H 8 8.659 8.659 8.972 -0.313 18049
8636 1 20 . 1 1 9 9 ASN N N 9 122.394 122.394 115.410 6.984 18049
8637 1 20 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.696 0.104 18049
8638 1 20 . 1 1 9 9 ASN CA C 9 53.312 53.312 52.984 0.328 18049
8639 1 20 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.815 -1.940 18049
8640 1 20 . 1 1 9 9 ASN H H 9 9.861 9.861 8.242 1.619 18049
8641 1 20 . 1 1 10 10 CYS N N 10 117.508 117.508 120.562 -3.054 18049
8642 1 20 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.656 0.049 18049
8643 1 20 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.689 -2.339 18049
8644 1 20 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.386 1.154 18049
8645 1 20 . 1 1 10 10 CYS H H 10 8.814 8.814 8.228 0.586 18049
8646 1 20 . 1 1 11 11 SER N N 11 115.934 115.934 115.557 0.377 18049
8647 1 20 . 1 1 11 11 SER HA H 11 4.150 4.150 4.563 -0.413 18049
8648 1 20 . 1 1 11 11 SER CA C 11 58.769 58.769 57.542 1.227 18049
8649 1 20 . 1 1 11 11 SER CB C 11 59.635 59.635 65.335 -5.700 18049
8650 1 20 . 1 1 11 11 SER H H 11 7.821 7.821 7.958 -0.137 18049
8651 1 20 . 1 1 12 12 GLN N N 12 120.325 120.325 119.954 0.371 18049
8652 1 20 . 1 1 12 12 GLN HA H 12 4.361 4.361 3.942 0.419 18049
8653 1 20 . 1 1 12 12 GLN CA C 12 52.870 52.870 56.762 -3.892 18049
8654 1 20 . 1 1 12 12 GLN CB C 12 27.913 27.913 28.712 -0.799 18049
8655 1 20 . 1 1 12 12 GLN H H 12 8.311 8.311 8.664 -0.353 18049
8656 1 20 . 1 1 13 13 ARG N N 13 118.657 118.657 117.708 0.949 18049
8657 1 20 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.040 0.328 18049
8658 1 20 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.402 -3.372 18049
8659 1 20 . 1 1 13 13 ARG CB C 13 32.300 32.300 29.334 2.966 18049
8660 1 20 . 1 1 13 13 ARG H H 13 8.430 8.430 8.719 -0.289 18049
8661 1 20 . 1 1 14 14 GLY N N 14 107.015 107.015 103.429 3.586 18049
8662 1 20 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.829 -3.099 18049
8663 1 20 . 1 1 14 14 GLY H H 14 8.706 8.706 8.605 0.101 18049
8664 1 20 . 1 1 15 15 HIS N N 15 113.397 113.397 120.883 -7.486 18049
8665 1 20 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.751 -0.151 18049
8666 1 20 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.383 -0.947 18049
8667 1 20 . 1 1 15 15 HIS CB C 15 27.887 27.887 27.668 0.219 18049
8668 1 20 . 1 1 15 15 HIS H H 15 6.998 6.998 7.882 -0.884 18049
8669 1 20 . 1 1 16 16 LEU N N 16 117.239 117.239 120.085 -2.846 18049
8670 1 20 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.282 0.303 18049
8671 1 20 . 1 1 16 16 LEU CA C 16 50.529 50.529 55.091 -4.562 18049
8672 1 20 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.488 -0.292 18049
8673 1 20 . 1 1 16 16 LEU H H 16 8.614 8.614 7.923 0.691 18049
8674 1 20 . 1 1 17 17 LYS N N 17 122.561 122.561 120.954 1.607 18049
8675 1 20 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.904 0.876 18049
8676 1 20 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.487 -1.723 18049
8677 1 20 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.737 -1.936 18049
8678 1 20 . 1 1 17 17 LYS H H 17 8.681 8.681 8.879 -0.198 18049
8679 1 20 . 1 1 18 18 LYS N N 18 117.626 117.626 113.614 4.012 18049
8680 1 20 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.225 -0.121 18049
8681 1 20 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.204 -2.385 18049
8682 1 20 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.054 -3.299 18049
8683 1 20 . 1 1 18 18 LYS H H 18 8.320 8.320 8.132 0.188 18049
8684 1 20 . 1 1 19 19 ASP N N 19 118.071 118.071 118.815 -0.744 18049
8685 1 20 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.632 0.218 18049
8686 1 20 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.897 -5.065 18049
8687 1 20 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.672 -1.772 18049
8688 1 20 . 1 1 19 19 ASP H H 19 7.770 7.770 7.865 -0.095 18049
8689 1 20 . 1 1 20 20 CYS N N 20 123.265 123.265 119.984 3.281 18049
8690 1 20 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.493 -0.791 18049
8691 1 20 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.892 -1.336 18049
8692 1 20 . 1 1 20 20 CYS CB C 20 28.496 28.496 27.137 1.359 18049
8693 1 20 . 1 1 20 20 CYS H H 20 7.275 7.275 8.183 -0.908 18049
8694 1 20 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.266 -4.366 18049
8695 1 20 . 1 1 21 21 PRO CB C 21 30.720 30.720 32.516 -1.796 18049
8696 1 20 . 1 1 22 22 HIS N N 22 121.576 121.576 117.152 4.424 18049
8697 1 20 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.449 -3.965 18049
8698 1 20 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.559 -2.726 18049
8699 1 20 . 1 1 22 22 HIS H H 22 7.882 7.882 8.188 -0.306 18049
8700 1 20 . 1 1 23 23 ILE N N 23 117.100 117.100 118.157 -1.057 18049
8701 1 20 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.138 0.031 18049
8702 1 20 . 1 1 23 23 ILE CA C 23 57.420 57.420 61.321 -3.901 18049
8703 1 20 . 1 1 23 23 ILE CB C 23 36.980 36.980 37.516 -0.536 18049
8704 1 20 . 1 1 23 23 ILE H H 23 8.660 8.660 7.494 1.166 18049
8705 1 20 . 1 1 24 24 ILE N N 24 126.524 126.524 121.147 5.377 18049
8706 1 20 . 1 1 24 24 ILE HA H 24 3.950 3.950 4.229 -0.279 18049
8707 1 20 . 1 1 24 24 ILE CA C 24 56.690 56.690 59.870 -3.180 18049
8708 1 20 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.134 -0.958 18049
8709 1 20 . 1 1 24 24 ILE H H 24 8.486 8.486 7.502 0.984 18049
8710 1 20 . 1 1 25 25 CYS CA C 25 56.014 56.014 57.645 -1.631 18049
8711 1 20 . 1 1 25 25 CYS CB C 25 27.273 27.273 29.491 -2.218 18049
8712 1 20 . 1 1 26 26 SER N N 26 127.811 127.811 120.015 7.796 18049
8713 1 20 . 1 1 26 26 SER HA H 26 4.050 4.050 4.258 -0.208 18049
8714 1 20 . 1 1 26 26 SER CA C 26 58.170 58.170 58.472 -0.302 18049
8715 1 20 . 1 1 26 26 SER CB C 26 60.523 60.523 63.340 -2.817 18049
8716 1 20 . 1 1 26 26 SER H H 26 9.491 9.491 8.358 1.133 18049
8717 1 20 . 1 1 27 27 TYR N N 27 124.378 124.378 117.752 6.626 18049
8718 1 20 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.198 0.327 18049
8719 1 20 . 1 1 27 27 TYR CA C 27 57.890 57.890 59.723 -1.833 18049
8720 1 20 . 1 1 27 27 TYR CB C 27 37.093 37.093 36.577 0.516 18049
8721 1 20 . 1 1 27 27 TYR H H 27 9.389 9.389 8.559 0.830 18049
8722 1 20 . 1 1 28 28 CYS N N 28 126.900 126.900 117.105 9.795 18049
8723 1 20 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.242 -2.321 18049
8724 1 20 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.487 0.711 18049
8725 1 20 . 1 1 28 28 CYS H H 28 8.490 8.490 7.467 1.023 18049
8726 1 20 . 1 1 29 29 GLY N N 29 113.271 113.271 105.674 7.597 18049
8727 1 20 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.096 -0.749 18049
8728 1 20 . 1 1 29 29 GLY H H 29 7.792 7.792 7.384 0.408 18049
8729 1 20 . 1 1 30 30 ALA N N 30 124.805 124.805 121.869 2.936 18049
8730 1 20 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.879 -0.760 18049
8731 1 20 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.183 -0.043 18049
8732 1 20 . 1 1 30 30 ALA CB C 30 17.720 17.720 21.376 -3.656 18049
8733 1 20 . 1 1 30 30 ALA H H 30 8.541 8.541 8.408 0.133 18049
8734 1 20 . 1 1 31 31 THR N N 31 118.352 118.352 113.075 5.277 18049
8735 1 20 . 1 1 31 31 THR CA C 31 58.082 58.082 64.511 -6.429 18049
8736 1 20 . 1 1 31 31 THR CB C 31 67.072 67.072 69.003 -1.931 18049
8737 1 20 . 1 1 31 31 THR H H 31 8.544 8.544 8.171 0.373 18049
8738 1 20 . 1 1 32 32 ASP N N 32 123.222 123.222 118.532 4.690 18049
8739 1 20 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.841 -0.798 18049
8740 1 20 . 1 1 32 32 ASP CA C 32 53.149 53.149 54.534 -1.385 18049
8741 1 20 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.168 -4.721 18049
8742 1 20 . 1 1 32 32 ASP H H 32 9.768 9.768 7.990 1.778 18049
8743 1 20 . 1 1 33 33 ASP N N 33 116.889 116.889 119.484 -2.595 18049
8744 1 20 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.291 -0.971 18049
8745 1 20 . 1 1 33 33 ASP CB C 33 43.190 43.190 42.539 0.650 18049
8746 1 20 . 1 1 33 33 ASP H H 33 8.111 8.111 8.039 0.072 18049
8747 1 20 . 1 1 34 34 HIS N N 34 110.849 110.849 119.475 -8.626 18049
8748 1 20 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.258 -3.068 18049
8749 1 20 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.347 6.423 18049
8750 1 20 . 1 1 34 34 HIS H H 34 6.959 6.959 7.803 -0.844 18049
8751 1 20 . 1 1 35 35 TYR N N 35 117.529 117.529 123.408 -5.879 18049
8752 1 20 . 1 1 35 35 TYR CA C 35 54.137 54.137 56.318 -2.181 18049
8753 1 20 . 1 1 35 35 TYR CB C 35 37.567 37.567 41.289 -3.722 18049
8754 1 20 . 1 1 35 35 TYR H H 35 8.813 8.813 7.816 0.997 18049
8755 1 20 . 1 1 36 36 SER N N 36 121.984 121.984 118.481 3.503 18049
8756 1 20 . 1 1 36 36 SER CA C 36 57.520 57.520 60.730 -3.210 18049
8757 1 20 . 1 1 36 36 SER CB C 36 59.800 59.800 63.139 -3.339 18049
8758 1 20 . 1 1 36 36 SER H H 36 8.518 8.518 7.992 0.526 18049
8759 1 20 . 1 1 37 37 ARG N N 37 119.707 119.707 118.911 0.796 18049
8760 1 20 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.398 -5.727 18049
8761 1 20 . 1 1 37 37 ARG CB C 37 27.093 27.093 29.703 -2.610 18049
8762 1 20 . 1 1 37 37 ARG H H 37 7.963 7.963 7.649 0.314 18049
8763 1 20 . 1 1 38 38 HIS N N 38 125.394 125.394 116.796 8.598 18049
8764 1 20 . 1 1 38 38 HIS CA C 38 56.276 56.276 54.931 1.345 18049
8765 1 20 . 1 1 38 38 HIS H H 38 7.443 7.443 7.430 0.013 18049
8766 1 20 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.264 0.186 18049
8767 1 20 . 1 1 39 39 CYS CA C 39 51.680 51.680 64.688 -13.008 18049
8768 1 20 . 1 1 39 39 CYS CB C 39 28.240 28.240 25.747 2.493 18049
8769 1 20 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.390 -0.080 18049
8770 1 20 . 1 1 40 40 PRO CA C 40 60.440 60.440 64.676 -4.236 18049
8771 1 20 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.676 -1.376 18049
8772 1 20 . 1 1 41 41 LYS N N 41 121.400 121.400 116.596 4.804 18049
8773 1 20 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.319 -0.240 18049
8774 1 20 . 1 1 41 41 LYS CA C 41 53.680 53.680 55.822 -2.142 18049
8775 1 20 . 1 1 41 41 LYS CB C 41 29.641 29.641 31.034 -1.393 18049
8776 1 20 . 1 1 41 41 LYS H H 41 8.650 8.650 7.554 1.096 18049
8777 1 20 . 1 1 42 42 ALA N N 42 122.096 122.096 120.756 1.340 18049
8778 1 20 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.359 -0.840 18049
8779 1 20 . 1 1 42 42 ALA CA C 42 49.591 49.591 53.365 -3.774 18049
8780 1 20 . 1 1 42 42 ALA CB C 42 16.456 16.456 19.888 -3.432 18049
8781 1 20 . 1 1 42 42 ALA H H 42 7.201 7.201 7.397 -0.196 18049
8782 1 20 . 1 1 43 43 ILE N N 43 119.646 119.646 117.897 1.749 18049
8783 1 20 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.491 -0.760 18049
8784 1 20 . 1 1 43 43 ILE CA C 43 57.966 57.966 60.106 -2.140 18049
8785 1 20 . 1 1 43 43 ILE CB C 43 35.977 35.977 41.720 -5.743 18049
8786 1 20 . 1 1 43 43 ILE H H 43 7.086 7.086 7.588 -0.502 18049
8787 1 20 . 1 1 44 44 GLN N N 44 125.541 125.541 123.516 2.025 18049
8788 1 20 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.755 -0.323 18049
8789 1 20 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.163 -2.428 18049
8790 1 20 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.604 -3.520 18049
8791 1 20 . 1 1 44 44 GLN H H 44 7.980 7.980 8.361 -0.381 18049
8792 1 20 . 1 1 45 45 CYS N N 45 130.678 130.678 121.301 9.377 18049
8793 1 20 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.393 -0.273 18049
8794 1 20 . 1 1 45 45 CYS CA C 45 57.330 57.330 59.306 -1.976 18049
8795 1 20 . 1 1 45 45 CYS CB C 45 28.000 28.000 30.060 -2.060 18049
8796 1 20 . 1 1 45 45 CYS H H 45 8.353 8.353 8.310 0.043 18049
8797 1 20 . 1 1 46 46 SER N N 46 124.273 124.273 121.186 3.087 18049
8798 1 20 . 1 1 46 46 SER HA H 46 4.334 4.334 4.367 -0.033 18049
8799 1 20 . 1 1 46 46 SER CA C 46 56.923 56.923 60.959 -4.036 18049
8800 1 20 . 1 1 46 46 SER CB C 46 60.400 60.400 63.101 -2.701 18049
8801 1 20 . 1 1 46 46 SER H H 46 8.466 8.466 8.869 -0.403 18049
8802 1 20 . 1 1 47 47 LYS N N 47 127.929 127.929 119.432 8.497 18049
8803 1 20 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.458 -0.098 18049
8804 1 20 . 1 1 47 47 LYS CA C 47 56.320 56.320 56.233 0.087 18049
8805 1 20 . 1 1 47 47 LYS CB C 47 31.300 31.300 33.959 -2.659 18049
8806 1 20 . 1 1 47 47 LYS H H 47 9.720 9.720 7.673 2.047 18049
8807 1 20 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.745 -0.155 18049
8808 1 20 . 1 1 48 48 CYS CA C 48 51.500 51.500 56.329 -4.829 18049
8809 1 20 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.682 -2.582 18049
8810 1 20 . 1 1 48 48 CYS H H 48 8.600 8.600 7.372 1.228 18049
8811 1 20 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.583 0.127 18049
8812 1 20 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.583 -0.283 18049
8813 1 20 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.649 -0.449 18049
8814 1 20 . 1 1 49 49 ASP H H 49 8.830 8.830 8.199 0.631 18049
8815 1 20 . 1 1 50 50 GLU N N 50 118.700 118.700 117.504 1.196 18049
8816 1 20 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.043 0.252 18049
8817 1 20 . 1 1 50 50 GLU CA C 50 54.340 54.340 57.014 -2.674 18049
8818 1 20 . 1 1 50 50 GLU CB C 50 28.500 28.500 30.132 -1.632 18049
8819 1 20 . 1 1 50 50 GLU H H 50 8.226 8.226 8.200 0.026 18049
8820 1 20 . 1 1 51 51 VAL N N 51 118.593 118.593 117.522 1.071 18049
8821 1 20 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.221 0.052 18049
8822 1 20 . 1 1 51 51 VAL CA C 51 59.380 59.380 61.563 -2.183 18049
8823 1 20 . 1 1 51 51 VAL CB C 51 30.250 30.250 29.842 0.408 18049
8824 1 20 . 1 1 51 51 VAL H H 51 8.216 8.216 8.624 -0.408 18049
8825 1 20 . 1 1 52 52 GLY N N 52 110.908 110.908 112.397 -1.489 18049
8826 1 20 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.276 -2.587 18049
8827 1 20 . 1 1 52 52 GLY H H 52 8.630 8.630 7.951 0.679 18049
8828 1 20 . 1 1 53 53 HIS N N 53 113.633 113.633 119.071 -5.438 18049
8829 1 20 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.305 0.285 18049
8830 1 20 . 1 1 53 53 HIS CA C 53 52.450 52.450 56.583 -4.133 18049
8831 1 20 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.569 -1.529 18049
8832 1 20 . 1 1 53 53 HIS H H 53 6.855 6.855 7.739 -0.884 18049
8833 1 20 . 1 1 54 54 TYR N N 54 115.154 115.154 120.494 -5.340 18049
8834 1 20 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.752 -0.582 18049
8835 1 20 . 1 1 54 54 TYR CA C 54 53.800 53.800 56.942 -3.142 18049
8836 1 20 . 1 1 54 54 TYR CB C 54 36.629 36.629 40.211 -3.582 18049
8837 1 20 . 1 1 54 54 TYR H H 54 8.054 8.054 7.592 0.462 18049
8838 1 20 . 1 1 55 55 ARG N N 55 126.509 126.509 123.157 3.352 18049
8839 1 20 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.827 -0.228 18049
8840 1 20 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.265 -1.442 18049
8841 1 20 . 1 1 55 55 ARG CB C 55 26.221 26.221 27.719 -1.498 18049
8842 1 20 . 1 1 55 55 ARG H H 55 8.490 8.490 9.387 -0.897 18049
8843 1 20 . 1 1 56 56 SER N N 56 116.450 116.450 109.763 6.687 18049
8844 1 20 . 1 1 56 56 SER CA C 56 56.523 56.523 59.406 -2.883 18049
8845 1 20 . 1 1 56 56 SER CB C 56 62.261 62.261 62.163 0.098 18049
8846 1 20 . 1 1 56 56 SER H H 56 8.247 8.247 8.535 -0.288 18049
8847 1 20 . 1 1 57 57 GLN N N 57 124.678 124.678 118.372 6.306 18049
8848 1 20 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.502 -0.328 18049
8849 1 20 . 1 1 57 57 GLN CA C 57 53.610 53.610 55.974 -2.364 18049
8850 1 20 . 1 1 57 57 GLN CB C 57 27.060 27.060 31.147 -4.087 18049
8851 1 20 . 1 1 57 57 GLN H H 57 8.702 8.702 8.164 0.538 18049
8852 1 20 . 1 1 58 58 CYS N N 58 126.577 126.577 119.859 6.718 18049
8853 1 20 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.296 0.120 18049
8854 1 20 . 1 1 58 58 CYS CA C 58 55.001 55.001 59.804 -4.803 18049
8855 1 20 . 1 1 58 58 CYS CB C 58 31.080 31.080 26.168 4.912 18049
8856 1 20 . 1 1 58 58 CYS H H 58 7.694 7.694 8.293 -0.599 18049
8857 1 20 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.174 2.617 18049
8858 1 20 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.128 -2.717 18049
8859 1 20 . 1 1 63 63 LYS N N 63 121.641 121.641 121.963 -0.322 18049
8860 1 20 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.030 -3.658 18049
8861 1 20 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.769 -4.977 18049
8862 1 20 . 1 1 63 63 LYS H H 63 8.033 8.033 8.471 -0.438 18049
8863 1 20 . 1 1 64 64 LYS N N 64 111.775 111.775 120.494 -8.719 18049
8864 1 20 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.912 -2.169 18049
8865 1 20 . 1 1 64 64 LYS H H 64 8.104 8.104 7.812 0.292 18049
8866 1 20 . 1 1 65 65 VAL N N 65 122.037 122.037 122.468 -0.431 18049
8867 1 20 . 1 1 65 65 VAL HA H 65 4.040 4.040 3.984 0.056 18049
8868 1 20 . 1 1 65 65 VAL CA C 65 59.290 59.290 63.390 -4.100 18049
8869 1 20 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.652 -3.241 18049
8870 1 20 . 1 1 65 65 VAL H H 65 8.306 8.306 8.596 -0.290 18049
8871 1 20 . 1 1 66 66 GLN N N 66 121.994 121.994 126.284 -4.290 18049
8872 1 20 . 1 1 66 66 GLN CA C 66 53.603 53.603 56.791 -3.188 18049
8873 1 20 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.151 2.149 18049
8874 1 20 . 1 1 66 66 GLN H H 66 8.360 8.360 8.748 -0.388 18049
8875 1 20 . 1 1 67 67 CYS N N 67 121.582 121.582 119.368 2.214 18049
8876 1 20 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.451 -0.412 18049
8877 1 20 . 1 1 67 67 CYS CA C 67 59.215 59.215 59.738 -0.523 18049
8878 1 20 . 1 1 67 67 CYS CB C 67 30.532 30.532 28.248 2.284 18049
8879 1 20 . 1 1 67 67 CYS H H 67 8.032 8.032 8.212 -0.180 18049
8880 1 20 . 1 1 68 68 THR HA H 68 4.046 4.046 3.871 0.175 18049
8881 1 20 . 1 1 68 68 THR CA C 68 61.228 61.228 64.922 -3.694 18049
8882 1 20 . 1 1 68 68 THR CB C 68 65.371 65.371 68.331 -2.960 18049
8883 1 20 . 1 1 69 69 LEU N N 69 124.335 124.335 118.530 5.805 18049
8884 1 20 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.591 -0.209 18049
8885 1 20 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.947 -1.518 18049
8886 1 20 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.845 -2.055 18049
8887 1 20 . 1 1 69 69 LEU H H 69 9.024 9.024 7.709 1.315 18049
8888 1 20 . 1 1 70 70 CYS N N 70 118.876 118.876 118.775 0.101 18049
8889 1 20 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.737 -0.401 18049
8890 1 20 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.141 -4.996 18049
8891 1 20 . 1 1 70 70 CYS CB C 70 29.863 29.863 30.212 -0.349 18049
8892 1 20 . 1 1 70 70 CYS H H 70 8.716 8.716 7.764 0.952 18049
8893 1 20 . 1 1 71 71 LYS N N 71 122.961 122.961 122.726 0.235 18049
8894 1 20 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.552 -0.385 18049
8895 1 20 . 1 1 71 71 LYS CA C 71 53.835 53.835 54.999 -1.164 18049
8896 1 20 . 1 1 71 71 LYS CB C 71 33.520 33.520 33.850 -0.330 18049
8897 1 20 . 1 1 71 71 LYS H H 71 8.505 8.505 8.353 0.152 18049
8898 1 20 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.898 -0.660 18049
8899 1 20 . 1 1 74 74 LYS CB C 74 31.243 31.243 31.040 0.203 18049
8900 1 20 . 1 1 75 75 HIS N N 75 111.915 111.915 118.733 -6.818 18049
8901 1 20 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.639 -0.179 18049
8902 1 20 . 1 1 75 75 HIS CA C 75 52.255 52.255 56.355 -4.100 18049
8903 1 20 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.696 -1.996 18049
8904 1 20 . 1 1 75 75 HIS H H 75 6.732 6.732 7.880 -1.148 18049
8905 1 20 . 1 1 78 78 GLU N N 78 118.980 118.980 117.578 1.402 18049
8906 1 20 . 1 1 78 78 GLU HA H 78 4.010 4.010 3.998 0.012 18049
8907 1 20 . 1 1 78 78 GLU CA C 78 56.480 56.480 58.061 -1.581 18049
8908 1 20 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.293 6.057 18049
8909 1 20 . 1 1 78 78 GLU H H 78 8.831 8.831 9.082 -0.251 18049
8910 1 20 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.340 -0.060 18049
8911 1 20 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.233 -2.721 18049
8912 1 20 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.275 -2.761 18049
8913 1 20 . 1 1 82 82 SER N N 82 116.172 116.172 112.181 3.991 18049
8914 1 20 . 1 1 82 82 SER HA H 82 4.105 4.105 4.692 -0.587 18049
8915 1 20 . 1 1 82 82 SER CA C 82 58.317 58.317 57.424 0.893 18049
8916 1 20 . 1 1 82 82 SER CB C 82 60.104 60.104 65.268 -5.164 18049
8917 1 20 . 1 1 82 82 SER H H 82 8.684 8.684 7.760 0.924 18049
8918 1 20 . 1 1 83 83 ILE N N 83 118.847 118.847 122.618 -3.771 18049
8919 1 20 . 1 1 83 83 ILE CA C 83 59.168 59.168 61.512 -2.344 18049
8920 1 20 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.617 -1.135 18049
8921 1 20 . 1 1 83 83 ILE H H 83 7.424 7.424 8.284 -0.860 18049
8922 1 20 . 1 1 84 84 TRP N N 84 115.140 115.140 121.972 -6.832 18049
8923 1 20 . 1 1 84 84 TRP CA C 84 54.593 54.593 58.109 -3.516 18049
8924 1 20 . 1 1 84 84 TRP CB C 84 25.868 25.868 30.466 -4.598 18049
8925 1 20 . 1 1 84 84 TRP H H 84 8.131 8.131 8.213 -0.082 18049
8926 1 20 . 1 1 85 85 ARG N N 85 118.936 118.936 118.693 0.243 18049
8927 1 20 . 1 1 85 85 ARG CA C 85 51.218 51.218 56.145 -4.927 18049
8928 1 20 . 1 1 85 85 ARG CB C 85 29.330 29.330 29.709 -0.379 18049
8929 1 20 . 1 1 85 85 ARG H H 85 7.884 7.884 8.334 -0.450 18049
8930 1 20 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.369 -0.399 18049
8931 1 20 . 1 1 86 86 ALA CA C 86 50.020 50.020 53.239 -3.220 18049
8932 1 20 . 1 1 86 86 ALA CB C 86 16.400 16.400 18.690 -2.290 18049
8933 1 20 . 1 1 87 87 TYR N N 87 117.965 117.965 118.595 -0.630 18049
8934 1 20 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.358 0.098 18049
8935 1 20 . 1 1 87 87 TYR CA C 87 54.928 54.928 58.788 -3.860 18049
8936 1 20 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.016 0.996 18049
8937 1 20 . 1 1 87 87 TYR H H 87 7.733 7.733 8.162 -0.429 18049
8938 1 20 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.349 1.292 18049
8939 1 20 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.461 -5.662 18049
8940 1 20 . 1 1 90 90 VAL N N 90 118.969 118.969 122.342 -3.373 18049
8941 1 20 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.895 -3.785 18049
8942 1 20 . 1 1 90 90 VAL CB C 90 30.127 30.127 31.801 -1.674 18049
8943 1 20 . 1 1 90 90 VAL H H 90 8.944 8.944 7.754 1.190 18049
8944 1 20 . 1 1 91 91 ASP N N 91 127.947 127.947 128.185 -0.238 18049
8945 1 20 . 1 1 91 91 ASP CA C 91 49.968 49.968 53.980 -4.011 18049
8946 1 20 . 1 1 91 91 ASP CB C 91 38.862 38.862 43.127 -4.266 18049
8947 1 20 . 1 1 91 91 ASP H H 91 8.320 8.320 8.579 -0.259 18049
8948 1 20 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.294 -1.276 18049
8949 1 20 . 1 1 92 92 ASP CB C 92 38.447 38.447 43.318 -4.871 18049
8950 1 20 . 1 1 93 93 ASN N N 93 118.727 118.727 118.633 0.094 18049
8951 1 20 . 1 1 93 93 ASN CA C 93 51.153 51.153 52.212 -1.059 18049
8952 1 20 . 1 1 93 93 ASN CB C 93 36.371 36.371 40.060 -3.689 18049
8953 1 20 . 1 1 93 93 ASN H H 93 8.396 8.396 8.424 -0.028 18049
8954 1 20 . 1 1 94 94 GLU N N 94 120.824 120.824 119.790 1.034 18049
8955 1 20 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.237 -1.848 18049
8956 1 20 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.504 -3.234 18049
8957 1 20 . 1 1 94 94 GLU H H 94 8.266 8.266 8.601 -0.335 18049
8958 1 20 . 1 1 95 95 LYS N N 95 121.079 121.079 121.924 -0.845 18049
8959 1 20 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.448 -0.292 18049
8960 1 20 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.509 -2.668 18049
8961 1 20 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.681 -3.508 18049
8962 1 20 . 1 1 95 95 LYS H H 95 8.055 8.055 8.615 -0.560 18049
8963 1 20 . 1 1 96 96 ALA N N 96 124.103 124.103 123.407 0.696 18049
8964 1 20 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.438 -0.236 18049
8965 1 20 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.014 -2.287 18049
8966 1 20 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.268 -2.517 18049
8967 1 20 . 1 1 96 96 ALA H H 96 8.053 8.053 8.003 0.050 18049
8968 1 20 . 1 1 97 97 LYS N N 97 121.893 121.893 120.764 1.129 18049
8969 1 20 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.810 0.075 18049
8970 1 20 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.877 -3.418 18049
8971 1 20 . 1 1 97 97 LYS H H 97 8.091 8.091 8.439 -0.348 18049
8972 1 20 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.454 -0.018 18049
8973 1 20 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.997 -3.972 18049
8974 1 20 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.073 -2.531 18049
8975 1 20 . 1 1 99 99 LYS N N 99 121.497 121.497 117.710 3.787 18049
8976 1 20 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.546 -0.181 18049
8977 1 20 . 1 1 99 99 LYS CA C 99 52.659 52.659 55.311 -2.652 18049
8978 1 20 . 1 1 99 99 LYS CB C 99 31.973 31.973 36.094 -4.121 18049
8979 1 20 . 1 1 99 99 LYS H H 99 8.241 8.241 7.787 0.454 18049
8980 1 20 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.208 0.059 18049
8981 1 20 . 1 1 102 102 PRO CA C 102 61.403 61.403 62.375 -0.972 18049
8982 1 20 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.141 -2.684 18049
8983 1 20 . 1 1 103 103 PHE N N 103 118.755 118.755 117.930 0.825 18049
8984 1 20 . 1 1 103 103 PHE CA C 103 56.059 56.059 55.754 0.305 18049
8985 1 20 . 1 1 103 103 PHE H H 103 8.675 8.675 7.132 1.543 18049
8986 1 20 . 1 1 105 105 THR HA H 105 4.630 4.630 4.575 0.055 18049
8987 1 20 . 1 1 105 105 THR CA C 105 59.356 59.356 60.609 -1.253 18049
8988 1 20 . 1 1 105 105 THR CB C 105 67.299 67.299 66.896 0.403 18049
8989 1 20 . 1 1 106 106 ILE N N 106 124.035 124.035 118.550 5.485 18049
8990 1 20 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.211 0.420 18049
8991 1 20 . 1 1 106 106 ILE CA C 106 57.730 57.730 62.034 -4.304 18049
8992 1 20 . 1 1 106 106 ILE CB C 106 36.907 36.907 36.699 0.208 18049
8993 1 20 . 1 1 106 106 ILE H H 106 7.833 7.833 7.053 0.780 18049
8994 1 20 . 1 1 107 107 TYR N N 107 118.339 118.339 117.004 1.335 18049
8995 1 20 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.424 0.116 18049
8996 1 20 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.508 -0.680 18049
8997 1 20 . 1 1 107 107 TYR CB C 107 37.240 37.240 37.161 0.079 18049
8998 1 20 . 1 1 107 107 TYR H H 107 8.925 8.925 7.573 1.352 18049
8999 1 20 . 1 1 108 108 CYS N N 108 130.380 130.380 116.346 14.034 18049
9000 1 20 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.183 -0.063 18049
9001 1 20 . 1 1 108 108 CYS CA C 108 55.950 55.950 59.140 -3.190 18049
9002 1 20 . 1 1 108 108 CYS CB C 108 27.900 27.900 29.062 -1.162 18049
9003 1 20 . 1 1 108 108 CYS H H 108 8.335 8.335 7.417 0.918 18049
9004 1 20 . 1 1 109 109 TYR N N 109 126.618 126.618 120.588 6.030 18049
9005 1 20 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.522 -0.122 18049
9006 1 20 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.436 -3.166 18049
9007 1 20 . 1 1 109 109 TYR CB C 109 34.500 34.500 37.819 -3.319 18049
9008 1 20 . 1 1 109 109 TYR H H 109 8.011 8.011 8.588 -0.577 18049
9009 1 20 . 1 1 110 110 ASN N N 110 125.398 125.398 117.833 7.565 18049
9010 1 20 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.468 0.334 18049
9011 1 20 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.805 -1.236 18049
9012 1 20 . 1 1 110 110 ASN CB C 110 37.922 37.922 38.100 -0.178 18049
9013 1 20 . 1 1 110 110 ASN H H 110 9.284 9.284 7.381 1.903 18049
9014 1 20 . 1 1 111 111 CYS N N 111 118.921 118.921 116.728 2.193 18049
9015 1 20 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.638 0.272 18049
9016 1 20 . 1 1 111 111 CYS CA C 111 55.986 55.986 59.403 -3.417 18049
9017 1 20 . 1 1 111 111 CYS CB C 111 30.172 30.172 28.881 1.291 18049
9018 1 20 . 1 1 111 111 CYS H H 111 9.171 9.171 7.814 1.357 18049
9019 1 20 . 1 1 112 112 GLY N N 112 114.064 114.064 108.908 5.156 18049
9020 1 20 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.224 -1.943 18049
9021 1 20 . 1 1 112 112 GLY H H 112 7.840 7.840 7.499 0.341 18049
9022 1 20 . 1 1 113 113 GLY N N 113 112.541 112.541 107.786 4.755 18049
9023 1 20 . 1 1 113 113 GLY CA C 113 41.193 41.193 43.980 -2.788 18049
9024 1 20 . 1 1 113 113 GLY H H 113 9.023 9.023 8.175 0.848 18049
9025 1 20 . 1 1 114 114 LYS N N 114 119.130 119.130 118.058 1.072 18049
9026 1 20 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.696 -0.435 18049
9027 1 20 . 1 1 114 114 LYS CA C 114 52.750 52.750 55.425 -2.675 18049
9028 1 20 . 1 1 114 114 LYS CB C 114 31.680 31.680 36.867 -5.188 18049
9029 1 20 . 1 1 114 114 LYS H H 114 8.200 8.200 8.720 -0.520 18049
9030 1 20 . 1 1 115 115 GLY N N 115 108.864 108.864 109.967 -1.103 18049
9031 1 20 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.143 -2.070 18049
9032 1 20 . 1 1 115 115 GLY H H 115 8.501 8.501 8.594 -0.093 18049
9033 1 20 . 1 1 116 116 HIS N N 116 113.173 113.173 117.395 -4.222 18049
9034 1 20 . 1 1 116 116 HIS HA H 116 4.431 4.431 3.962 0.469 18049
9035 1 20 . 1 1 116 116 HIS CA C 116 52.400 52.400 56.505 -4.105 18049
9036 1 20 . 1 1 116 116 HIS CB C 116 27.530 27.530 29.071 -1.541 18049
9037 1 20 . 1 1 116 116 HIS H H 116 6.665 6.665 8.271 -1.606 18049
9038 1 20 . 1 1 117 117 PHE N N 117 116.353 116.353 119.806 -3.453 18049
9039 1 20 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.330 0.350 18049
9040 1 20 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.497 -3.413 18049
9041 1 20 . 1 1 117 117 PHE CB C 117 38.264 38.264 36.583 1.681 18049
9042 1 20 . 1 1 117 117 PHE H H 117 8.529 8.529 8.606 -0.077 18049
9043 1 20 . 1 1 118 118 GLY N N 118 108.977 108.977 108.985 -0.008 18049
9044 1 20 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.911 -1.550 18049
9045 1 20 . 1 1 118 118 GLY H H 118 8.870 8.870 7.795 1.075 18049
9046 1 20 . 1 1 119 119 ASP N N 119 117.997 117.997 119.147 -1.150 18049
9047 1 20 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.336 0.008 18049
9048 1 20 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.748 -3.244 18049
9049 1 20 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.786 -2.977 18049
9050 1 20 . 1 1 119 119 ASP H H 119 7.892 7.892 8.350 -0.458 18049
9051 1 20 . 1 1 120 120 ASP N N 120 116.782 116.782 115.683 1.099 18049
9052 1 20 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.627 0.228 18049
9053 1 20 . 1 1 120 120 ASP CA C 120 50.685 50.685 55.875 -5.190 18049
9054 1 20 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.269 -2.070 18049
9055 1 20 . 1 1 120 120 ASP H H 120 7.730 7.730 7.779 -0.049 18049
9056 1 20 . 1 1 121 121 CYS N N 121 125.836 125.836 119.233 6.603 18049
9057 1 20 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.355 0.425 18049
9058 1 20 . 1 1 121 121 CYS CA C 121 56.067 56.067 60.410 -4.343 18049
9059 1 20 . 1 1 121 121 CYS CB C 121 28.200 28.200 26.984 1.216 18049
9060 1 20 . 1 1 121 121 CYS H H 121 7.667 7.667 8.218 -0.551 18049
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 89 5.486 -1.945 5.158 18049
2 1 1 "Average Difference" HA 86 0.390 0.041 0.390 18049
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18049
4 1 1 "Average Difference" CA 106 3.367 2.689 2.036 18049
5 1 1 "Average Difference" CB 95 2.688 1.408 2.302 18049
6 1 1 "Average Difference" HN 91 0.707 -0.134 0.698 18049
7 1 2 "Average Difference" N 89 4.775 -1.468 4.570 18049
8 1 2 "Average Difference" HA 86 0.406 0.066 0.403 18049
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18049
10 1 2 "Average Difference" CA 106 3.301 2.630 2.003 18049
11 1 2 "Average Difference" CB 95 2.825 1.585 2.350 18049
12 1 2 "Average Difference" HN 91 0.741 -0.183 0.722 18049
13 1 3 "Average Difference" N 89 5.597 -1.637 5.383 18049
14 1 3 "Average Difference" HA 86 0.440 0.084 0.435 18049
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18049
16 1 3 "Average Difference" CA 106 3.339 2.681 2.000 18049
17 1 3 "Average Difference" CB 95 2.823 1.785 2.199 18049
18 1 3 "Average Difference" HN 91 0.755 -0.091 0.753 18049
19 1 4 "Average Difference" N 89 5.057 -1.157 4.951 18049
20 1 4 "Average Difference" HA 86 0.432 0.025 0.434 18049
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18049
22 1 4 "Average Difference" CA 106 3.299 2.723 1.871 18049
23 1 4 "Average Difference" CB 95 2.694 1.502 2.248 18049
24 1 4 "Average Difference" HN 91 0.763 -0.117 0.758 18049
25 1 5 "Average Difference" N 89 5.316 -1.392 5.160 18049
26 1 5 "Average Difference" HA 86 0.448 0.084 0.443 18049
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18049
28 1 5 "Average Difference" CA 106 3.126 2.549 1.819 18049
29 1 5 "Average Difference" CB 95 2.839 1.535 2.401 18049
30 1 5 "Average Difference" HN 91 0.720 -0.130 0.712 18049
31 1 6 "Average Difference" N 89 5.333 -1.909 5.008 18049
32 1 6 "Average Difference" HA 86 0.392 0.012 0.394 18049
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18049
34 1 6 "Average Difference" CA 106 3.412 2.723 2.065 18049
35 1 6 "Average Difference" CB 95 2.683 1.417 2.290 18049
36 1 6 "Average Difference" HN 91 0.720 -0.104 0.717 18049
37 1 7 "Average Difference" N 89 5.245 -1.869 4.928 18049
38 1 7 "Average Difference" HA 86 0.401 0.031 0.402 18049
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18049
40 1 7 "Average Difference" CA 106 3.301 2.592 2.054 18049
41 1 7 "Average Difference" CB 95 2.737 1.466 2.324 18049
42 1 7 "Average Difference" HN 91 0.763 -0.164 0.749 18049
43 1 8 "Average Difference" N 89 5.347 -1.345 5.204 18049
44 1 8 "Average Difference" HA 86 0.418 0.122 0.402 18049
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18049
46 1 8 "Average Difference" CA 106 3.216 2.498 2.035 18049
47 1 8 "Average Difference" CB 95 2.989 1.738 2.445 18049
48 1 8 "Average Difference" HN 91 0.663 -0.099 0.659 18049
49 1 9 "Average Difference" N 89 5.351 -1.858 5.046 18049
50 1 9 "Average Difference" HA 86 0.416 -0.007 0.418 18049
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18049
52 1 9 "Average Difference" CA 106 3.448 2.782 2.047 18049
53 1 9 "Average Difference" CB 95 2.692 1.303 2.368 18049
54 1 9 "Average Difference" HN 91 0.666 -0.130 0.657 18049
55 1 10 "Average Difference" N 89 4.964 -1.595 4.727 18049
56 1 10 "Average Difference" HA 86 0.390 0.016 0.392 18049
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18049
58 1 10 "Average Difference" CA 106 3.239 2.572 1.978 18049
59 1 10 "Average Difference" CB 95 2.630 1.389 2.245 18049
60 1 10 "Average Difference" HN 91 0.734 -0.153 0.722 18049
61 1 11 "Average Difference" N 89 5.233 -0.686 5.217 18049
62 1 11 "Average Difference" HA 86 0.428 0.019 0.430 18049
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18049
64 1 11 "Average Difference" CA 106 3.101 2.561 1.757 18049
65 1 11 "Average Difference" CB 95 2.749 1.635 2.221 18049
66 1 11 "Average Difference" HN 91 0.672 -0.055 0.673 18049
67 1 12 "Average Difference" N 89 5.358 -1.153 5.262 18049
68 1 12 "Average Difference" HA 86 0.415 0.056 0.413 18049
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18049
70 1 12 "Average Difference" CA 106 3.280 2.663 1.924 18049
71 1 12 "Average Difference" CB 95 2.869 1.546 2.430 18049
72 1 12 "Average Difference" HN 91 0.741 -0.073 0.741 18049
73 1 13 "Average Difference" N 89 5.061 -1.357 4.904 18049
74 1 13 "Average Difference" HA 86 0.433 0.038 0.434 18049
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18049
76 1 13 "Average Difference" CA 106 3.358 2.694 2.014 18049
77 1 13 "Average Difference" CB 95 2.885 1.629 2.394 18049
78 1 13 "Average Difference" HN 91 0.695 -0.117 0.689 18049
79 1 14 "Average Difference" N 89 5.028 -1.801 4.721 18049
80 1 14 "Average Difference" HA 86 0.414 0.098 0.404 18049
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18049
82 1 14 "Average Difference" CA 106 3.029 2.414 1.838 18049
83 1 14 "Average Difference" CB 95 2.829 1.557 2.374 18049
84 1 14 "Average Difference" HN 91 0.744 -0.205 0.719 18049
85 1 15 "Average Difference" N 89 5.220 -1.253 5.097 18049
86 1 15 "Average Difference" HA 86 0.415 0.021 0.417 18049
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18049
88 1 15 "Average Difference" CA 106 3.293 2.607 2.021 18049
89 1 15 "Average Difference" CB 95 2.777 1.455 2.378 18049
90 1 15 "Average Difference" HN 91 0.695 -0.129 0.687 18049
91 1 16 "Average Difference" N 89 5.401 -0.933 5.350 18049
92 1 16 "Average Difference" HA 86 0.397 0.037 0.397 18049
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18049
94 1 16 "Average Difference" CA 106 3.366 2.640 2.097 18049
95 1 16 "Average Difference" CB 95 2.843 1.620 2.349 18049
96 1 16 "Average Difference" HN 91 0.665 -0.113 0.659 18049
97 1 17 "Average Difference" N 89 5.761 -1.495 5.596 18049
98 1 17 "Average Difference" HA 86 0.432 -0.009 0.435 18049
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18049
100 1 17 "Average Difference" CA 106 3.379 2.665 2.087 18049
101 1 17 "Average Difference" CB 95 2.652 1.339 2.302 18049
102 1 17 "Average Difference" HN 91 0.685 -0.142 0.674 18049
103 1 18 "Average Difference" N 89 5.161 -1.414 4.992 18049
104 1 18 "Average Difference" HA 86 0.398 0.074 0.393 18049
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18049
106 1 18 "Average Difference" CA 106 3.177 2.535 1.924 18049
107 1 18 "Average Difference" CB 95 2.777 1.626 2.264 18049
108 1 18 "Average Difference" HN 91 0.665 -0.146 0.653 18049
109 1 19 "Average Difference" N 89 5.551 -1.509 5.372 18049
110 1 19 "Average Difference" HA 86 0.401 0.026 0.402 18049
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18049
112 1 19 "Average Difference" CA 106 3.257 2.575 2.004 18049
113 1 19 "Average Difference" CB 95 2.655 1.535 2.179 18049
114 1 19 "Average Difference" HN 91 0.771 -0.137 0.763 18049
115 1 20 "Average Difference" N 89 4.863 -1.708 4.579 18049
116 1 20 "Average Difference" HA 86 0.438 0.067 0.435 18049
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18049
118 1 20 "Average Difference" CA 106 3.310 2.645 1.999 18049
119 1 20 "Average Difference" CB 95 2.863 1.562 2.412 18049
120 1 20 "Average Difference" HN 91 0.769 -0.173 0.754 18049
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 18049
_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 ALA N N 3 125.353 125.353 123.295 2.058 18049
2 1 . 1 1 3 3 ALA HA H 3 4.195 4.195 4.521 -0.326 18049
3 1 . 1 1 3 3 ALA CA C 3 49.578 49.578 51.756 -2.178 18049
4 1 . 1 1 3 3 ALA CB C 3 16.811 16.811 19.450 -2.639 18049
5 1 . 1 1 3 3 ALA H H 3 8.182 8.182 8.086 0.096 18049
6 1 . 1 1 4 4 ALA N N 4 124.707 124.707 126.935 -2.228 18049
7 1 . 1 1 4 4 ALA HA H 4 4.460 4.460 4.324 0.136 18049
8 1 . 1 1 4 4 ALA CA C 4 47.760 47.760 53.531 -5.771 18049
9 1 . 1 1 4 4 ALA CB C 4 15.798 15.798 17.273 -1.475 18049
10 1 . 1 1 4 4 ALA H H 4 8.151 8.151 8.642 -0.491 18049
11 1 . 1 1 5 5 PRO HA H 5 4.470 4.470 4.366 0.104 18049
12 1 . 1 1 5 5 PRO CA C 5 59.320 59.320 63.374 -4.054 18049
13 1 . 1 1 5 5 PRO CB C 5 29.800 29.800 31.815 -2.015 18049
14 1 . 1 1 6 6 LYS N N 6 121.400 121.400 117.520 3.880 18049
15 1 . 1 1 6 6 LYS HA H 6 4.263 4.263 3.964 0.300 18049
16 1 . 1 1 6 6 LYS CA C 6 52.630 52.630 57.949 -5.319 18049
17 1 . 1 1 6 6 LYS CB C 6 32.000 32.000 31.537 0.463 18049
18 1 . 1 1 6 6 LYS H H 6 8.230 8.230 8.484 -0.254 18049
19 1 . 1 1 7 7 CYS N N 7 128.995 128.995 116.166 12.829 18049
20 1 . 1 1 7 7 CYS HA H 7 4.114 4.114 4.693 -0.579 18049
21 1 . 1 1 7 7 CYS CA C 7 57.020 57.020 58.157 -1.137 18049
22 1 . 1 1 7 7 CYS CB C 7 27.720 27.720 30.129 -2.409 18049
23 1 . 1 1 7 7 CYS H H 7 8.354 8.354 8.194 0.160 18049
24 1 . 1 1 8 8 ASN N N 8 127.325 127.325 121.486 5.839 18049
25 1 . 1 1 8 8 ASN HA H 8 4.705 4.705 4.544 0.161 18049
26 1 . 1 1 8 8 ASN CA C 8 51.910 51.910 55.197 -3.287 18049
27 1 . 1 1 8 8 ASN CB C 8 35.930 35.930 38.832 -2.902 18049
28 1 . 1 1 8 8 ASN H H 8 8.659 8.659 8.744 -0.085 18049
29 1 . 1 1 9 9 ASN N N 9 122.394 122.394 116.987 5.407 18049
30 1 . 1 1 9 9 ASN HA H 9 4.800 4.800 4.686 0.114 18049
31 1 . 1 1 9 9 ASN CA C 9 53.312 53.312 53.693 -0.381 18049
32 1 . 1 1 9 9 ASN CB C 9 37.875 37.875 39.183 -1.308 18049
33 1 . 1 1 9 9 ASN H H 9 9.861 9.861 8.112 1.748 18049
34 1 . 1 1 10 10 CYS N N 10 117.508 117.508 119.856 -2.348 18049
35 1 . 1 1 10 10 CYS HA H 10 4.705 4.705 4.586 0.119 18049
36 1 . 1 1 10 10 CYS CA C 10 56.350 56.350 58.851 -2.501 18049
37 1 . 1 1 10 10 CYS CB C 10 29.540 29.540 28.696 0.844 18049
38 1 . 1 1 10 10 CYS H H 10 8.814 8.814 8.089 0.725 18049
39 1 . 1 1 11 11 SER N N 11 115.934 115.934 115.090 0.844 18049
40 1 . 1 1 11 11 SER HA H 11 4.150 4.150 4.340 -0.190 18049
41 1 . 1 1 11 11 SER CA C 11 58.769 58.769 58.556 0.213 18049
42 1 . 1 1 11 11 SER CB C 11 59.635 59.635 62.988 -3.353 18049
43 1 . 1 1 11 11 SER H H 11 7.821 7.821 8.407 -0.586 18049
44 1 . 1 1 12 12 GLN N N 12 120.325 120.325 119.518 0.807 18049
45 1 . 1 1 12 12 GLN HA H 12 4.361 4.361 4.405 -0.044 18049
46 1 . 1 1 12 12 GLN CA C 12 52.870 52.870 55.422 -2.552 18049
47 1 . 1 1 12 12 GLN CB C 12 27.913 27.913 30.343 -2.430 18049
48 1 . 1 1 12 12 GLN H H 12 8.311 8.311 8.164 0.147 18049
49 1 . 1 1 13 13 ARG N N 13 118.657 118.657 120.567 -1.910 18049
50 1 . 1 1 13 13 ARG HA H 13 4.368 4.368 4.367 0.001 18049
51 1 . 1 1 13 13 ARG CA C 13 53.030 53.030 56.100 -3.070 18049
52 1 . 1 1 13 13 ARG CB C 13 32.300 32.300 30.727 1.573 18049
53 1 . 1 1 13 13 ARG H H 13 8.430 8.430 8.382 0.048 18049
54 1 . 1 1 14 14 GLY N N 14 107.015 107.015 109.091 -2.076 18049
55 1 . 1 1 14 14 GLY CA C 14 42.730 42.730 45.296 -2.566 18049
56 1 . 1 1 14 14 GLY H H 14 8.706 8.706 8.568 0.138 18049
57 1 . 1 1 15 15 HIS N N 15 113.397 113.397 119.231 -5.834 18049
58 1 . 1 1 15 15 HIS HA H 15 4.600 4.600 4.683 -0.083 18049
59 1 . 1 1 15 15 HIS CA C 15 52.436 52.436 53.616 -1.180 18049
60 1 . 1 1 15 15 HIS CB C 15 27.887 27.887 28.469 -0.582 18049
61 1 . 1 1 15 15 HIS H H 15 6.998 6.998 7.957 -0.959 18049
62 1 . 1 1 16 16 LEU N N 16 117.239 117.239 120.454 -3.215 18049
63 1 . 1 1 16 16 LEU HA H 16 4.585 4.585 4.353 0.232 18049
64 1 . 1 1 16 16 LEU CA C 16 50.529 50.529 54.695 -4.166 18049
65 1 . 1 1 16 16 LEU CB C 16 42.196 42.196 42.419 -0.223 18049
66 1 . 1 1 16 16 LEU H H 16 8.614 8.614 8.004 0.610 18049
67 1 . 1 1 17 17 LYS N N 17 122.561 122.561 121.371 1.190 18049
68 1 . 1 1 17 17 LYS HA H 17 4.780 4.780 3.946 0.834 18049
69 1 . 1 1 17 17 LYS CA C 17 57.764 57.764 59.516 -1.752 18049
70 1 . 1 1 17 17 LYS CB C 17 29.801 29.801 31.770 -1.969 18049
71 1 . 1 1 17 17 LYS H H 17 8.681 8.681 8.596 0.085 18049
72 1 . 1 1 18 18 LYS N N 18 117.626 117.626 113.903 3.723 18049
73 1 . 1 1 18 18 LYS HA H 18 4.104 4.104 4.216 -0.112 18049
74 1 . 1 1 18 18 LYS CA C 18 55.819 55.819 58.018 -2.199 18049
75 1 . 1 1 18 18 LYS CB C 18 28.755 28.755 32.010 -3.255 18049
76 1 . 1 1 18 18 LYS H H 18 8.320 8.320 8.121 0.199 18049
77 1 . 1 1 19 19 ASP N N 19 118.071 118.071 119.939 -1.868 18049
78 1 . 1 1 19 19 ASP HA H 19 4.850 4.850 4.707 0.143 18049
79 1 . 1 1 19 19 ASP CA C 19 50.832 50.832 55.938 -5.106 18049
80 1 . 1 1 19 19 ASP CB C 19 39.900 39.900 41.902 -2.002 18049
81 1 . 1 1 19 19 ASP H H 19 7.770 7.770 7.960 -0.190 18049
82 1 . 1 1 20 20 CYS N N 20 123.265 123.265 119.881 3.384 18049
83 1 . 1 1 20 20 CYS HA H 20 3.702 3.702 4.084 -0.382 18049
84 1 . 1 1 20 20 CYS CA C 20 59.556 59.556 60.641 -1.085 18049
85 1 . 1 1 20 20 CYS CB C 20 28.496 28.496 26.854 1.642 18049
86 1 . 1 1 20 20 CYS H H 20 7.275 7.275 8.013 -0.738 18049
87 1 . 1 1 21 21 PRO CA C 21 58.900 58.900 63.304 -4.404 18049
88 1 . 1 1 21 21 PRO CB C 21 30.720 30.720 31.804 -1.084 18049
89 1 . 1 1 22 22 HIS N N 22 121.576 121.576 118.886 2.690 18049
90 1 . 1 1 22 22 HIS CA C 22 52.484 52.484 56.232 -3.748 18049
91 1 . 1 1 22 22 HIS CB C 22 27.833 27.833 30.704 -2.871 18049
92 1 . 1 1 22 22 HIS H H 22 7.882 7.882 8.023 -0.141 18049
93 1 . 1 1 23 23 ILE N N 23 117.100 117.100 120.263 -3.163 18049
94 1 . 1 1 23 23 ILE HA H 23 4.170 4.170 4.227 -0.057 18049
95 1 . 1 1 23 23 ILE CA C 23 57.420 57.420 60.475 -3.055 18049
96 1 . 1 1 23 23 ILE CB C 23 36.980 36.980 38.133 -1.153 18049
97 1 . 1 1 23 23 ILE H H 23 8.660 8.660 7.955 0.705 18049
98 1 . 1 1 24 24 ILE N N 24 126.524 126.524 120.519 6.005 18049
99 1 . 1 1 24 24 ILE HA H 24 3.950 3.950 3.968 -0.018 18049
100 1 . 1 1 24 24 ILE CA C 24 56.690 56.690 60.535 -3.844 18049
101 1 . 1 1 24 24 ILE CB C 24 37.176 37.176 38.352 -1.176 18049
102 1 . 1 1 24 24 ILE H H 24 8.486 8.486 7.848 0.638 18049
103 1 . 1 1 25 25 CYS CA C 25 56.014 56.014 59.080 -3.066 18049
104 1 . 1 1 25 25 CYS CB C 25 27.273 27.273 28.119 -0.846 18049
105 1 . 1 1 26 26 SER N N 26 127.811 127.811 118.494 9.317 18049
106 1 . 1 1 26 26 SER HA H 26 4.050 4.050 4.148 -0.098 18049
107 1 . 1 1 26 26 SER CA C 26 58.170 58.170 59.172 -1.002 18049
108 1 . 1 1 26 26 SER CB C 26 60.523 60.523 62.820 -2.297 18049
109 1 . 1 1 26 26 SER H H 26 9.491 9.491 8.526 0.965 18049
110 1 . 1 1 27 27 TYR N N 27 124.378 124.378 118.236 6.142 18049
111 1 . 1 1 27 27 TYR HA H 27 4.525 4.525 4.237 0.288 18049
112 1 . 1 1 27 27 TYR CA C 27 57.890 57.890 58.961 -1.071 18049
113 1 . 1 1 27 27 TYR CB C 27 37.093 37.093 37.054 0.039 18049
114 1 . 1 1 27 27 TYR H H 27 9.389 9.389 8.224 1.165 18049
115 1 . 1 1 28 28 CYS N N 28 126.900 126.900 116.941 9.959 18049
116 1 . 1 1 28 28 CYS CA C 28 55.921 55.921 58.520 -2.599 18049
117 1 . 1 1 28 28 CYS CB C 28 30.198 30.198 29.395 0.803 18049
118 1 . 1 1 28 28 CYS H H 28 8.490 8.490 7.796 0.694 18049
119 1 . 1 1 29 29 GLY N N 29 113.271 113.271 108.050 5.221 18049
120 1 . 1 1 29 29 GLY CA C 29 43.348 43.348 44.609 -1.261 18049
121 1 . 1 1 29 29 GLY H H 29 7.792 7.792 7.628 0.164 18049
122 1 . 1 1 30 30 ALA N N 30 124.805 124.805 121.787 3.018 18049
123 1 . 1 1 30 30 ALA HA H 30 4.119 4.119 4.611 -0.492 18049
124 1 . 1 1 30 30 ALA CA C 30 51.140 51.140 51.050 0.090 18049
125 1 . 1 1 30 30 ALA CB C 30 17.720 17.720 20.430 -2.710 18049
126 1 . 1 1 30 30 ALA H H 30 8.541 8.541 8.248 0.293 18049
127 1 . 1 1 31 31 THR N N 31 118.352 118.352 115.431 2.922 18049
128 1 . 1 1 31 31 THR CA C 31 58.082 58.082 64.484 -6.402 18049
129 1 . 1 1 31 31 THR CB C 31 67.072 67.072 68.781 -1.709 18049
130 1 . 1 1 31 31 THR H H 31 8.544 8.544 8.493 0.051 18049
131 1 . 1 1 32 32 ASP N N 32 123.222 123.222 119.188 4.034 18049
132 1 . 1 1 32 32 ASP HA H 32 4.043 4.043 4.638 -0.595 18049
133 1 . 1 1 32 32 ASP CA C 32 53.149 53.149 55.077 -1.928 18049
134 1 . 1 1 32 32 ASP CB C 32 36.447 36.447 41.261 -4.814 18049
135 1 . 1 1 32 32 ASP H H 32 9.768 9.768 8.266 1.502 18049
136 1 . 1 1 33 33 ASP N N 33 116.889 116.889 118.582 -1.693 18049
137 1 . 1 1 33 33 ASP CA C 33 53.320 53.320 54.211 -0.891 18049
138 1 . 1 1 33 33 ASP CB C 33 43.190 43.190 41.617 1.573 18049
139 1 . 1 1 33 33 ASP H H 33 8.111 8.111 7.918 0.193 18049
140 1 . 1 1 34 34 HIS N N 34 110.849 110.849 121.131 -10.282 18049
141 1 . 1 1 34 34 HIS CA C 34 53.190 53.190 56.794 -3.604 18049
142 1 . 1 1 34 34 HIS CB C 34 37.770 37.770 31.100 6.670 18049
143 1 . 1 1 34 34 HIS H H 34 6.959 6.959 7.966 -1.007 18049
144 1 . 1 1 35 35 TYR N N 35 117.529 117.529 123.751 -6.222 18049
145 1 . 1 1 35 35 TYR CA C 35 54.137 54.137 57.252 -3.115 18049
146 1 . 1 1 35 35 TYR CB C 35 37.567 37.567 40.621 -3.054 18049
147 1 . 1 1 35 35 TYR H H 35 8.813 8.813 8.089 0.724 18049
148 1 . 1 1 36 36 SER N N 36 121.984 121.984 118.499 3.485 18049
149 1 . 1 1 36 36 SER CA C 36 57.520 57.520 60.093 -2.573 18049
150 1 . 1 1 36 36 SER CB C 36 59.800 59.800 63.011 -3.211 18049
151 1 . 1 1 36 36 SER H H 36 8.518 8.518 7.918 0.600 18049
152 1 . 1 1 37 37 ARG N N 37 119.707 119.707 119.148 0.559 18049
153 1 . 1 1 37 37 ARG CA C 37 51.671 51.671 57.001 -5.330 18049
154 1 . 1 1 37 37 ARG CB C 37 27.093 27.093 30.009 -2.916 18049
155 1 . 1 1 37 37 ARG H H 37 7.963 7.963 7.866 0.097 18049
156 1 . 1 1 38 38 HIS N N 38 125.394 125.394 116.873 8.521 18049
157 1 . 1 1 38 38 HIS CA C 38 56.276 56.276 55.897 0.379 18049
158 1 . 1 1 38 38 HIS H H 38 7.443 7.443 7.823 -0.380 18049
159 1 . 1 1 39 39 CYS HA H 39 4.450 4.450 4.033 0.417 18049
160 1 . 1 1 39 39 CYS CA C 39 51.680 51.680 63.311 -11.631 18049
161 1 . 1 1 39 39 CYS CB C 39 28.240 28.240 26.344 1.896 18049
162 1 . 1 1 40 40 PRO HA H 40 4.310 4.310 4.512 -0.202 18049
163 1 . 1 1 40 40 PRO CA C 40 60.440 60.440 63.793 -3.353 18049
164 1 . 1 1 40 40 PRO CB C 40 30.300 30.300 31.450 -1.150 18049
165 1 . 1 1 41 41 LYS N N 41 121.400 121.400 119.942 1.458 18049
166 1 . 1 1 41 41 LYS HA H 41 4.079 4.079 4.404 -0.325 18049
167 1 . 1 1 41 41 LYS CA C 41 53.680 53.680 56.056 -2.375 18049
168 1 . 1 1 41 41 LYS CB C 41 29.641 29.641 32.357 -2.716 18049
169 1 . 1 1 41 41 LYS H H 41 8.650 8.650 7.993 0.657 18049
170 1 . 1 1 42 42 ALA N N 42 122.096 122.096 121.710 0.386 18049
171 1 . 1 1 42 42 ALA HA H 42 3.519 3.519 4.433 -0.914 18049
172 1 . 1 1 42 42 ALA CA C 42 49.591 49.591 52.572 -2.981 18049
173 1 . 1 1 42 42 ALA CB C 42 16.456 16.456 20.015 -3.559 18049
174 1 . 1 1 42 42 ALA H H 42 7.201 7.201 7.921 -0.720 18049
175 1 . 1 1 43 43 ILE N N 43 119.646 119.646 119.591 0.055 18049
176 1 . 1 1 43 43 ILE HA H 43 3.731 3.731 4.164 -0.433 18049
177 1 . 1 1 43 43 ILE CA C 43 57.966 57.966 61.019 -3.053 18049
178 1 . 1 1 43 43 ILE CB C 43 35.977 35.977 37.736 -1.759 18049
179 1 . 1 1 43 43 ILE H H 43 7.086 7.086 7.944 -0.858 18049
180 1 . 1 1 44 44 GLN N N 44 125.541 125.541 120.036 5.505 18049
181 1 . 1 1 44 44 GLN HA H 44 4.432 4.432 4.613 -0.181 18049
182 1 . 1 1 44 44 GLN CA C 44 51.736 51.736 54.411 -2.675 18049
183 1 . 1 1 44 44 GLN CB C 44 28.084 28.084 31.599 -3.515 18049
184 1 . 1 1 44 44 GLN H H 44 7.980 7.980 7.876 0.104 18049
185 1 . 1 1 45 45 CYS N N 45 130.678 130.678 119.721 10.957 18049
186 1 . 1 1 45 45 CYS HA H 45 4.120 4.120 4.647 -0.527 18049
187 1 . 1 1 45 45 CYS CA C 45 57.330 57.330 58.144 -0.814 18049
188 1 . 1 1 45 45 CYS CB C 45 28.000 28.000 29.807 -1.807 18049
189 1 . 1 1 45 45 CYS H H 45 8.353 8.353 8.390 -0.037 18049
190 1 . 1 1 46 46 SER N N 46 124.273 124.273 118.672 5.601 18049
191 1 . 1 1 46 46 SER HA H 46 4.334 4.334 4.299 0.035 18049
192 1 . 1 1 46 46 SER CA C 46 56.923 56.923 60.241 -3.318 18049
193 1 . 1 1 46 46 SER CB C 46 60.400 60.400 63.076 -2.676 18049
194 1 . 1 1 46 46 SER H H 46 8.466 8.466 8.690 -0.224 18049
195 1 . 1 1 47 47 LYS N N 47 127.929 127.929 119.827 8.102 18049
196 1 . 1 1 47 47 LYS HA H 47 4.360 4.360 4.292 0.068 18049
197 1 . 1 1 47 47 LYS CA C 47 56.320 56.320 57.025 -0.705 18049
198 1 . 1 1 47 47 LYS CB C 47 31.300 31.300 32.617 -1.317 18049
199 1 . 1 1 47 47 LYS H H 47 9.720 9.720 8.419 1.301 18049
200 1 . 1 1 48 48 CYS HA H 48 4.590 4.590 4.702 -0.112 18049
201 1 . 1 1 48 48 CYS CA C 48 51.500 51.500 57.548 -6.048 18049
202 1 . 1 1 48 48 CYS CB C 48 28.100 28.100 30.103 -2.003 18049
203 1 . 1 1 48 48 CYS H H 48 8.600 8.600 7.781 0.819 18049
204 1 . 1 1 49 49 ASP HA H 49 4.710 4.710 4.546 0.164 18049
205 1 . 1 1 49 49 ASP CA C 49 54.300 54.300 54.898 -0.598 18049
206 1 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.179 0.021 18049
207 1 . 1 1 49 49 ASP H H 49 8.830 8.830 8.339 0.491 18049
208 1 . 1 1 50 50 GLU N N 50 118.700 118.700 117.626 1.074 18049
209 1 . 1 1 50 50 GLU HA H 50 4.295 4.295 4.363 -0.068 18049
210 1 . 1 1 50 50 GLU CA C 50 54.340 54.340 56.443 -2.103 18049
211 1 . 1 1 50 50 GLU CB C 50 28.500 28.500 30.846 -2.346 18049
212 1 . 1 1 50 50 GLU H H 50 8.226 8.226 8.237 -0.011 18049
213 1 . 1 1 51 51 VAL N N 51 118.593 118.593 117.313 1.280 18049
214 1 . 1 1 51 51 VAL HA H 51 4.273 4.273 4.053 0.220 18049
215 1 . 1 1 51 51 VAL CA C 51 59.380 59.380 63.375 -3.995 18049
216 1 . 1 1 51 51 VAL CB C 51 30.250 30.250 31.613 -1.363 18049
217 1 . 1 1 51 51 VAL H H 51 8.216 8.216 8.279 -0.063 18049
218 1 . 1 1 52 52 GLY N N 52 110.908 110.908 108.595 2.313 18049
219 1 . 1 1 52 52 GLY CA C 52 42.690 42.690 45.343 -2.653 18049
220 1 . 1 1 52 52 GLY H H 52 8.630 8.630 8.134 0.496 18049
221 1 . 1 1 53 53 HIS N N 53 113.633 113.633 118.153 -4.520 18049
222 1 . 1 1 53 53 HIS HA H 53 4.590 4.590 4.570 0.020 18049
223 1 . 1 1 53 53 HIS CA C 53 52.450 52.450 55.169 -2.719 18049
224 1 . 1 1 53 53 HIS CB C 53 28.040 28.040 29.903 -1.863 18049
225 1 . 1 1 53 53 HIS H H 53 6.855 6.855 7.884 -1.029 18049
226 1 . 1 1 54 54 TYR N N 54 115.154 115.154 120.481 -5.327 18049
227 1 . 1 1 54 54 TYR HA H 54 4.170 4.170 4.402 -0.232 18049
228 1 . 1 1 54 54 TYR CA C 54 53.800 53.800 57.723 -3.923 18049
229 1 . 1 1 54 54 TYR CB C 54 36.629 36.629 39.213 -2.584 18049
230 1 . 1 1 54 54 TYR H H 54 8.054 8.054 8.128 -0.074 18049
231 1 . 1 1 55 55 ARG N N 55 126.509 126.509 123.161 3.348 18049
232 1 . 1 1 55 55 ARG HA H 55 3.599 3.599 3.877 -0.278 18049
233 1 . 1 1 55 55 ARG CA C 55 55.823 55.823 57.307 -1.484 18049
234 1 . 1 1 55 55 ARG CB C 55 26.221 26.221 29.114 -2.893 18049
235 1 . 1 1 55 55 ARG H H 55 8.490 8.490 8.534 -0.044 18049
236 1 . 1 1 56 56 SER N N 56 116.450 116.450 112.024 4.426 18049
237 1 . 1 1 56 56 SER CA C 56 56.523 56.523 59.514 -2.991 18049
238 1 . 1 1 56 56 SER CB C 56 62.261 62.261 62.353 -0.092 18049
239 1 . 1 1 56 56 SER H H 56 8.247 8.247 8.414 -0.167 18049
240 1 . 1 1 57 57 GLN N N 57 124.678 124.678 117.008 7.670 18049
241 1 . 1 1 57 57 GLN HA H 57 4.174 4.174 4.359 -0.185 18049
242 1 . 1 1 57 57 GLN CA C 57 53.610 53.610 56.193 -2.583 18049
243 1 . 1 1 57 57 GLN CB C 57 27.060 27.060 29.845 -2.785 18049
244 1 . 1 1 57 57 GLN H H 57 8.702 8.702 8.033 0.669 18049
245 1 . 1 1 58 58 CYS N N 58 126.577 126.577 118.787 7.790 18049
246 1 . 1 1 58 58 CYS HA H 58 4.416 4.416 4.304 0.112 18049
247 1 . 1 1 58 58 CYS CA C 58 55.001 55.001 58.735 -3.734 18049
248 1 . 1 1 58 58 CYS CB C 58 31.080 31.080 27.002 4.078 18049
249 1 . 1 1 58 58 CYS H H 58 7.694 7.694 8.203 -0.509 18049
250 1 . 1 1 62 62 TRP CA C 62 59.791 59.791 57.016 2.775 18049
251 1 . 1 1 62 62 TRP CB C 62 27.411 27.411 30.075 -2.664 18049
252 1 . 1 1 63 63 LYS N N 63 121.641 121.641 122.097 -0.456 18049
253 1 . 1 1 63 63 LYS CA C 63 52.372 52.372 56.022 -3.650 18049
254 1 . 1 1 63 63 LYS CB C 63 27.792 27.792 32.919 -5.127 18049
255 1 . 1 1 63 63 LYS H H 63 8.033 8.033 7.816 0.217 18049
256 1 . 1 1 64 64 LYS N N 64 111.775 111.775 120.737 -8.962 18049
257 1 . 1 1 64 64 LYS CA C 64 53.743 53.743 55.986 -2.243 18049
258 1 . 1 1 64 64 LYS H H 64 8.104 8.104 7.839 0.265 18049
259 1 . 1 1 65 65 VAL N N 65 122.037 122.037 121.055 0.982 18049
260 1 . 1 1 65 65 VAL HA H 65 4.040 4.040 4.065 -0.025 18049
261 1 . 1 1 65 65 VAL CA C 65 59.290 59.290 62.320 -3.030 18049
262 1 . 1 1 65 65 VAL CB C 65 29.411 29.411 32.824 -3.413 18049
263 1 . 1 1 65 65 VAL H H 65 8.306 8.306 8.193 0.113 18049
264 1 . 1 1 66 66 GLN N N 66 121.994 121.994 123.344 -1.350 18049
265 1 . 1 1 66 66 GLN CA C 66 53.603 53.603 57.196 -3.593 18049
266 1 . 1 1 66 66 GLN CB C 66 30.300 30.300 28.500 1.800 18049
267 1 . 1 1 66 66 GLN H H 66 8.360 8.360 8.705 -0.345 18049
268 1 . 1 1 67 67 CYS N N 67 121.582 121.582 118.081 3.501 18049
269 1 . 1 1 67 67 CYS HA H 67 4.039 4.039 4.615 -0.576 18049
270 1 . 1 1 67 67 CYS CA C 67 59.215 59.215 58.813 0.402 18049
271 1 . 1 1 67 67 CYS CB C 67 30.532 30.532 28.618 1.914 18049
272 1 . 1 1 67 67 CYS H H 67 8.032 8.032 7.995 0.037 18049
273 1 . 1 1 68 68 THR HA H 68 4.046 4.046 4.111 -0.065 18049
274 1 . 1 1 68 68 THR CA C 68 61.228 61.228 64.526 -3.298 18049
275 1 . 1 1 68 68 THR CB C 68 65.371 65.371 68.638 -3.267 18049
276 1 . 1 1 69 69 LEU N N 69 124.335 124.335 118.321 6.014 18049
277 1 . 1 1 69 69 LEU HA H 69 4.382 4.382 4.473 -0.091 18049
278 1 . 1 1 69 69 LEU CA C 69 54.429 54.429 55.733 -1.304 18049
279 1 . 1 1 69 69 LEU CB C 69 39.790 39.790 41.982 -2.192 18049
280 1 . 1 1 69 69 LEU H H 69 9.024 9.024 7.846 1.178 18049
281 1 . 1 1 70 70 CYS N N 70 118.876 118.876 118.776 0.100 18049
282 1 . 1 1 70 70 CYS HA H 70 4.336 4.336 4.534 -0.198 18049
283 1 . 1 1 70 70 CYS CA C 70 53.145 53.145 58.538 -5.393 18049
284 1 . 1 1 70 70 CYS CB C 70 29.863 29.863 29.183 0.680 18049
285 1 . 1 1 70 70 CYS H H 70 8.716 8.716 7.704 1.012 18049
286 1 . 1 1 71 71 LYS N N 71 122.961 122.961 121.824 1.137 18049
287 1 . 1 1 71 71 LYS HA H 71 4.167 4.167 4.380 -0.213 18049
288 1 . 1 1 71 71 LYS CA C 71 53.835 53.835 56.123 -2.288 18049
289 1 . 1 1 71 71 LYS CB C 71 33.520 33.520 32.886 0.634 18049
290 1 . 1 1 71 71 LYS H H 71 8.505 8.505 8.430 0.075 18049
291 1 . 1 1 74 74 LYS CA C 74 56.238 56.238 56.824 -0.586 18049
292 1 . 1 1 74 74 LYS CB C 74 31.243 31.243 32.400 -1.157 18049
293 1 . 1 1 75 75 HIS N N 75 111.915 111.915 118.920 -7.005 18049
294 1 . 1 1 75 75 HIS HA H 75 4.460 4.460 4.661 -0.201 18049
295 1 . 1 1 75 75 HIS CA C 75 52.255 52.255 55.877 -3.622 18049
296 1 . 1 1 75 75 HIS CB C 75 28.700 28.700 30.694 -1.994 18049
297 1 . 1 1 75 75 HIS H H 75 6.732 6.732 8.230 -1.498 18049
298 1 . 1 1 78 78 GLU N N 78 118.980 118.980 117.889 1.091 18049
299 1 . 1 1 78 78 GLU HA H 78 4.010 4.010 4.079 -0.069 18049
300 1 . 1 1 78 78 GLU CA C 78 56.480 56.480 57.530 -1.050 18049
301 1 . 1 1 78 78 GLU CB C 78 34.350 34.350 28.856 5.494 18049
302 1 . 1 1 78 78 GLU H H 78 8.831 8.831 8.491 0.340 18049
303 1 . 1 1 81 81 PRO HA H 81 4.280 4.280 4.364 -0.083 18049
304 1 . 1 1 81 81 PRO CA C 81 61.512 61.512 64.085 -2.573 18049
305 1 . 1 1 81 81 PRO CB C 81 29.514 29.514 32.062 -2.548 18049
306 1 . 1 1 82 82 SER N N 82 116.172 116.172 113.807 2.365 18049
307 1 . 1 1 82 82 SER HA H 82 4.105 4.105 4.440 -0.335 18049
308 1 . 1 1 82 82 SER CA C 82 58.317 58.317 58.305 0.012 18049
309 1 . 1 1 82 82 SER CB C 82 60.104 60.104 63.653 -3.549 18049
310 1 . 1 1 82 82 SER H H 82 8.684 8.684 8.107 0.577 18049
311 1 . 1 1 83 83 ILE N N 83 118.847 118.847 121.305 -2.458 18049
312 1 . 1 1 83 83 ILE CA C 83 59.168 59.168 60.842 -1.675 18049
313 1 . 1 1 83 83 ILE CB C 83 38.482 38.482 39.038 -0.556 18049
314 1 . 1 1 83 83 ILE H H 83 7.424 7.424 7.858 -0.434 18049
315 1 . 1 1 84 84 TRP N N 84 115.140 115.140 124.846 -9.706 18049
316 1 . 1 1 84 84 TRP CA C 84 54.593 54.593 57.457 -2.864 18049
317 1 . 1 1 84 84 TRP CB C 84 25.868 25.868 29.802 -3.933 18049
318 1 . 1 1 84 84 TRP H H 84 8.131 8.131 8.182 -0.051 18049
319 1 . 1 1 85 85 ARG N N 85 118.936 118.936 121.458 -2.522 18049
320 1 . 1 1 85 85 ARG CA C 85 51.218 51.218 55.888 -4.670 18049
321 1 . 1 1 85 85 ARG CB C 85 29.330 29.330 30.835 -1.505 18049
322 1 . 1 1 85 85 ARG H H 85 7.884 7.884 7.980 -0.096 18049
323 1 . 1 1 86 86 ALA HA H 86 3.970 3.970 4.265 -0.295 18049
324 1 . 1 1 86 86 ALA CA C 86 50.020 50.020 52.148 -2.128 18049
325 1 . 1 1 86 86 ALA CB C 86 16.400 16.400 19.232 -2.832 18049
326 1 . 1 1 87 87 TYR N N 87 117.965 117.965 118.742 -0.777 18049
327 1 . 1 1 87 87 TYR HA H 87 4.456 4.456 4.579 -0.123 18049
328 1 . 1 1 87 87 TYR CA C 87 54.928 54.928 57.713 -2.785 18049
329 1 . 1 1 87 87 TYR CB C 87 40.012 40.012 39.509 0.503 18049
330 1 . 1 1 87 87 TYR H H 87 7.733 7.733 7.977 -0.244 18049
331 1 . 1 1 89 89 LEU CA C 89 55.641 55.641 54.825 0.816 18049
332 1 . 1 1 89 89 LEU CB C 89 36.799 36.799 42.459 -5.660 18049
333 1 . 1 1 90 90 VAL N N 90 118.969 118.969 119.995 -1.026 18049
334 1 . 1 1 90 90 VAL CA C 90 59.110 59.110 62.268 -3.158 18049
335 1 . 1 1 90 90 VAL CB C 90 30.127 30.127 32.661 -2.534 18049
336 1 . 1 1 90 90 VAL H H 90 8.944 8.944 8.034 0.910 18049
337 1 . 1 1 91 91 ASP N N 91 127.947 127.947 121.784 6.163 18049
338 1 . 1 1 91 91 ASP CA C 91 49.968 49.968 54.412 -4.444 18049
339 1 . 1 1 91 91 ASP CB C 91 38.862 38.862 41.570 -2.708 18049
340 1 . 1 1 91 91 ASP H H 91 8.320 8.320 8.339 -0.019 18049
341 1 . 1 1 92 92 ASP CA C 92 52.018 52.018 53.942 -1.924 18049
342 1 . 1 1 92 92 ASP CB C 92 38.447 38.447 41.971 -3.524 18049
343 1 . 1 1 93 93 ASN N N 93 118.727 118.727 119.009 -0.282 18049
344 1 . 1 1 93 93 ASN CA C 93 51.153 51.153 53.420 -2.267 18049
345 1 . 1 1 93 93 ASN CB C 93 36.371 36.371 39.169 -2.798 18049
346 1 . 1 1 93 93 ASN H H 93 8.396 8.396 8.421 -0.025 18049
347 1 . 1 1 94 94 GLU N N 94 120.824 120.824 120.692 0.132 18049
348 1 . 1 1 94 94 GLU CA C 94 54.389 54.389 56.424 -2.035 18049
349 1 . 1 1 94 94 GLU CB C 94 27.270 27.270 30.706 -3.436 18049
350 1 . 1 1 94 94 GLU H H 94 8.266 8.266 8.424 -0.158 18049
351 1 . 1 1 95 95 LYS N N 95 121.079 121.079 121.213 -0.134 18049
352 1 . 1 1 95 95 LYS HA H 95 4.156 4.156 4.463 -0.307 18049
353 1 . 1 1 95 95 LYS CA C 95 53.841 53.841 56.012 -2.171 18049
354 1 . 1 1 95 95 LYS CB C 95 30.173 30.173 33.342 -3.169 18049
355 1 . 1 1 95 95 LYS H H 95 8.055 8.055 8.316 -0.261 18049
356 1 . 1 1 96 96 ALA N N 96 124.103 124.103 124.086 0.017 18049
357 1 . 1 1 96 96 ALA HA H 96 4.202 4.202 4.465 -0.263 18049
358 1 . 1 1 96 96 ALA CA C 96 49.727 49.727 52.006 -2.279 18049
359 1 . 1 1 96 96 ALA CB C 96 16.752 16.752 19.673 -2.921 18049
360 1 . 1 1 96 96 ALA H H 96 8.053 8.053 8.287 -0.234 18049
361 1 . 1 1 97 97 LYS N N 97 121.893 121.893 120.950 0.943 18049
362 1 . 1 1 97 97 LYS HA H 97 4.885 4.885 4.587 0.298 18049
363 1 . 1 1 97 97 LYS CA C 97 51.459 51.459 54.838 -3.379 18049
364 1 . 1 1 97 97 LYS H H 97 8.091 8.091 8.316 -0.225 18049
365 1 . 1 1 98 98 PRO HA H 98 4.436 4.436 4.499 -0.063 18049
366 1 . 1 1 98 98 PRO CA C 98 60.025 60.025 63.065 -3.040 18049
367 1 . 1 1 98 98 PRO CB C 98 29.542 29.542 32.246 -2.704 18049
368 1 . 1 1 99 99 LYS N N 99 121.497 121.497 119.430 2.067 18049
369 1 . 1 1 99 99 LYS HA H 99 4.365 4.365 4.393 -0.028 18049
370 1 . 1 1 99 99 LYS CA C 99 52.659 52.659 56.100 -3.441 18049
371 1 . 1 1 99 99 LYS CB C 99 31.973 31.973 33.584 -1.611 18049
372 1 . 1 1 99 99 LYS H H 99 8.241 8.241 8.200 0.041 18049
373 1 . 1 1 102 102 PRO HA H 102 4.267 4.267 4.468 -0.201 18049
374 1 . 1 1 102 102 PRO CA C 102 61.403 61.403 63.033 -1.631 18049
375 1 . 1 1 102 102 PRO CB C 102 29.457 29.457 32.218 -2.761 18049
376 1 . 1 1 103 103 PHE N N 103 118.755 118.755 118.976 -0.221 18049
377 1 . 1 1 103 103 PHE CA C 103 56.059 56.059 57.735 -1.676 18049
378 1 . 1 1 103 103 PHE H H 103 8.675 8.675 8.061 0.614 18049
379 1 . 1 1 105 105 THR HA H 105 4.630 4.630 4.306 0.324 18049
380 1 . 1 1 105 105 THR CA C 105 59.356 59.356 61.966 -2.610 18049
381 1 . 1 1 105 105 THR CB C 105 67.299 67.299 69.038 -1.739 18049
382 1 . 1 1 106 106 ILE N N 106 124.035 124.035 119.866 4.169 18049
383 1 . 1 1 106 106 ILE HA H 106 4.631 4.631 4.247 0.384 18049
384 1 . 1 1 106 106 ILE CA C 106 57.730 57.730 60.839 -3.109 18049
385 1 . 1 1 106 106 ILE CB C 106 36.907 36.907 38.630 -1.723 18049
386 1 . 1 1 106 106 ILE H H 106 7.833 7.833 7.697 0.136 18049
387 1 . 1 1 107 107 TYR N N 107 118.339 118.339 121.310 -2.971 18049
388 1 . 1 1 107 107 TYR HA H 107 4.540 4.540 4.796 -0.256 18049
389 1 . 1 1 107 107 TYR CA C 107 55.828 55.828 56.964 -1.136 18049
390 1 . 1 1 107 107 TYR CB C 107 37.240 37.240 39.969 -2.729 18049
391 1 . 1 1 107 107 TYR H H 107 8.925 8.925 7.856 1.069 18049
392 1 . 1 1 108 108 CYS N N 108 130.380 130.380 120.382 9.998 18049
393 1 . 1 1 108 108 CYS HA H 108 4.120 4.120 4.482 -0.362 18049
394 1 . 1 1 108 108 CYS CA C 108 55.950 55.950 58.145 -2.195 18049
395 1 . 1 1 108 108 CYS CB C 108 27.900 27.900 28.864 -0.964 18049
396 1 . 1 1 108 108 CYS H H 108 8.335 8.335 8.424 -0.089 18049
397 1 . 1 1 109 109 TYR N N 109 126.618 126.618 122.708 3.910 18049
398 1 . 1 1 109 109 TYR HA H 109 4.400 4.400 4.484 -0.084 18049
399 1 . 1 1 109 109 TYR CA C 109 56.270 56.270 59.657 -3.387 18049
400 1 . 1 1 109 109 TYR CB C 109 34.500 34.500 38.522 -4.022 18049
401 1 . 1 1 109 109 TYR H H 109 8.011 8.011 8.557 -0.546 18049
402 1 . 1 1 110 110 ASN N N 110 125.398 125.398 117.807 7.591 18049
403 1 . 1 1 110 110 ASN HA H 110 4.802 4.802 4.649 0.153 18049
404 1 . 1 1 110 110 ASN CA C 110 53.569 53.569 54.278 -0.709 18049
405 1 . 1 1 110 110 ASN CB C 110 37.922 37.922 39.101 -1.179 18049
406 1 . 1 1 110 110 ASN H H 110 9.284 9.284 8.295 0.989 18049
407 1 . 1 1 111 111 CYS N N 111 118.921 118.921 116.384 2.537 18049
408 1 . 1 1 111 111 CYS HA H 111 4.910 4.910 4.660 0.250 18049
409 1 . 1 1 111 111 CYS CA C 111 55.986 55.986 58.444 -2.458 18049
410 1 . 1 1 111 111 CYS CB C 111 30.172 30.172 29.253 0.919 18049
411 1 . 1 1 111 111 CYS H H 111 9.171 9.171 7.996 1.175 18049
412 1 . 1 1 112 112 GLY N N 112 114.064 114.064 109.630 4.434 18049
413 1 . 1 1 112 112 GLY CA C 112 43.281 43.281 45.240 -1.959 18049
414 1 . 1 1 112 112 GLY H H 112 7.840 7.840 8.133 -0.293 18049
415 1 . 1 1 113 113 GLY N N 113 112.541 112.541 108.005 4.536 18049
416 1 . 1 1 113 113 GLY CA C 113 41.193 41.193 44.661 -3.468 18049
417 1 . 1 1 113 113 GLY H H 113 9.023 9.023 7.971 1.052 18049
418 1 . 1 1 114 114 LYS N N 114 119.130 119.130 120.080 -0.950 18049
419 1 . 1 1 114 114 LYS HA H 114 4.260 4.260 4.287 -0.027 18049
420 1 . 1 1 114 114 LYS CA C 114 52.750 52.750 56.751 -4.001 18049
421 1 . 1 1 114 114 LYS CB C 114 31.680 31.680 32.941 -1.261 18049
422 1 . 1 1 114 114 LYS H H 114 8.200 8.200 8.272 -0.072 18049
423 1 . 1 1 115 115 GLY N N 115 108.864 108.864 108.414 0.450 18049
424 1 . 1 1 115 115 GLY CA C 115 43.073 43.073 45.339 -2.266 18049
425 1 . 1 1 115 115 GLY H H 115 8.501 8.501 8.392 0.109 18049
426 1 . 1 1 116 116 HIS N N 116 113.173 113.173 117.982 -4.809 18049
427 1 . 1 1 116 116 HIS HA H 116 4.431 4.431 4.450 -0.019 18049
428 1 . 1 1 116 116 HIS CA C 116 52.400 52.400 54.974 -2.574 18049
429 1 . 1 1 116 116 HIS CB C 116 27.530 27.530 30.332 -2.801 18049
430 1 . 1 1 116 116 HIS H H 116 6.665 6.665 7.739 -1.074 18049
431 1 . 1 1 117 117 PHE N N 117 116.353 116.353 118.710 -2.357 18049
432 1 . 1 1 117 117 PHE HA H 117 4.680 4.680 4.302 0.378 18049
433 1 . 1 1 117 117 PHE CA C 117 54.084 54.084 57.534 -3.450 18049
434 1 . 1 1 117 117 PHE CB C 117 38.264 38.264 37.077 1.187 18049
435 1 . 1 1 117 117 PHE H H 117 8.529 8.529 8.479 0.050 18049
436 1 . 1 1 118 118 GLY N N 118 108.977 108.977 108.339 0.638 18049
437 1 . 1 1 118 118 GLY CA C 118 45.361 45.361 46.588 -1.227 18049
438 1 . 1 1 118 118 GLY H H 118 8.870 8.870 8.256 0.614 18049
439 1 . 1 1 119 119 ASP N N 119 117.997 117.997 119.644 -1.647 18049
440 1 . 1 1 119 119 ASP HA H 119 4.344 4.344 4.447 -0.103 18049
441 1 . 1 1 119 119 ASP CA C 119 53.504 53.504 56.396 -2.892 18049
442 1 . 1 1 119 119 ASP CB C 119 37.810 37.810 40.941 -3.130 18049
443 1 . 1 1 119 119 ASP H H 119 7.892 7.892 8.165 -0.273 18049
444 1 . 1 1 120 120 ASP N N 120 116.782 116.782 117.453 -0.671 18049
445 1 . 1 1 120 120 ASP HA H 120 4.855 4.855 4.723 0.132 18049
446 1 . 1 1 120 120 ASP CA C 120 50.685 50.685 54.476 -3.791 18049
447 1 . 1 1 120 120 ASP CB C 120 40.199 40.199 42.335 -2.136 18049
448 1 . 1 1 120 120 ASP H H 120 7.730 7.730 7.937 -0.207 18049
449 1 . 1 1 121 121 CYS N N 121 125.836 125.836 120.210 5.626 18049
450 1 . 1 1 121 121 CYS HA H 121 4.780 4.780 4.437 0.343 18049
451 1 . 1 1 121 121 CYS CA C 121 56.067 56.067 59.327 -3.260 18049
452 1 . 1 1 121 121 CYS CB C 121 28.200 28.200 27.356 0.844 18049
453 1 . 1 1 121 121 CYS H H 121 7.667 7.667 7.999 -0.332 18049
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