data_19646
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19646
_Entry.PDB_ID 2MHP
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 19646
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.032 0.282 19646
2 1 1 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.310 0.260 19646
3 1 1 . 1 1 2 2 ALA CB C 2 19.315 19.315 18.123 1.192 19646
4 1 1 . 1 1 3 3 MET HA H 3 4.438 4.438 4.555 -0.117 19646
5 1 1 . 1 1 3 3 MET CA C 3 55.752 55.752 55.002 0.750 19646
6 1 1 . 1 1 3 3 MET CB C 3 32.785 32.785 33.040 -0.255 19646
7 1 1 . 1 1 6 6 CYS N N 6 123.547 123.547 118.782 4.765 19646
8 1 1 . 1 1 6 6 CYS H H 6 8.184 8.184 7.817 0.367 19646
9 1 1 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.403 0.162 19646
10 1 1 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.688 -0.610 19646
11 1 1 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.336 -0.700 19646
12 1 1 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.454 0.110 19646
13 1 1 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.427 1.580 19646
14 1 1 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.807 0.825 19646
15 1 1 . 1 1 10 10 MET N N 10 123.176 123.176 119.595 3.581 19646
16 1 1 . 1 1 10 10 MET HA H 10 4.346 4.346 4.725 -0.379 19646
17 1 1 . 1 1 10 10 MET CA C 10 57.932 57.932 55.957 1.975 19646
18 1 1 . 1 1 10 10 MET CB C 10 33.859 33.859 34.043 -0.184 19646
19 1 1 . 1 1 10 10 MET H H 10 8.759 8.759 8.714 0.045 19646
20 1 1 . 1 1 11 11 VAL N N 11 116.266 116.266 119.212 -2.946 19646
21 1 1 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.342 -0.041 19646
22 1 1 . 1 1 11 11 VAL CA C 11 59.732 59.732 60.191 -0.459 19646
23 1 1 . 1 1 11 11 VAL CB C 11 35.145 35.145 32.713 2.432 19646
24 1 1 . 1 1 11 11 VAL H H 11 8.855 8.855 7.865 0.990 19646
25 1 1 . 1 1 12 12 LYS N N 12 125.383 125.383 127.866 -2.483 19646
26 1 1 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.808 -0.437 19646
27 1 1 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.967 0.748 19646
28 1 1 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.355 -0.185 19646
29 1 1 . 1 1 12 12 LYS H H 12 8.448 8.448 8.491 -0.043 19646
30 1 1 . 1 1 13 13 LEU N N 13 132.136 132.136 125.129 7.007 19646
31 1 1 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.906 -0.357 19646
32 1 1 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.361 -0.249 19646
33 1 1 . 1 1 13 13 LEU CB C 13 43.288 43.288 44.692 -1.404 19646
34 1 1 . 1 1 13 13 LEU H H 13 9.145 9.145 8.985 0.160 19646
35 1 1 . 1 1 14 14 VAL N N 14 127.590 127.590 117.552 10.038 19646
36 1 1 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.420 -0.271 19646
37 1 1 . 1 1 14 14 VAL CA C 14 61.132 61.132 60.256 0.876 19646
38 1 1 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.441 -2.076 19646
39 1 1 . 1 1 14 14 VAL H H 14 8.578 8.578 7.962 0.616 19646
40 1 1 . 1 1 15 15 CYS N N 15 129.201 129.201 124.202 4.999 19646
41 1 1 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.837 -0.546 19646
42 1 1 . 1 1 15 15 CYS CA C 15 56.014 56.014 57.286 -1.272 19646
43 1 1 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.296 13.786 19646
44 1 1 . 1 1 15 15 CYS H H 15 8.643 8.643 8.606 0.037 19646
45 1 1 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.335 0.162 19646
46 1 1 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.025 -0.675 19646
47 1 1 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.450 -0.298 19646
48 1 1 . 1 1 17 17 ALA N N 17 124.507 124.507 121.322 3.185 19646
49 1 1 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.065 0.055 19646
50 1 1 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.276 -0.859 19646
51 1 1 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.495 0.387 19646
52 1 1 . 1 1 17 17 ALA H H 17 8.553 8.553 8.308 0.245 19646
53 1 1 . 1 1 18 18 ASP N N 18 114.322 114.322 115.589 -1.267 19646
54 1 1 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.750 -0.245 19646
55 1 1 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.689 -0.035 19646
56 1 1 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.555 -0.168 19646
57 1 1 . 1 1 18 18 ASP H H 18 8.116 8.116 8.285 -0.169 19646
58 1 1 . 1 1 19 19 ASN N N 19 115.834 115.834 115.152 0.682 19646
59 1 1 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.491 0.165 19646
60 1 1 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.122 0.108 19646
61 1 1 . 1 1 19 19 ASN CB C 19 38.076 38.076 38.130 -0.054 19646
62 1 1 . 1 1 19 19 ASN H H 19 7.669 7.669 8.038 -0.369 19646
63 1 1 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.176 0.112 19646
64 1 1 . 1 1 20 20 LEU CA C 20 55.807 55.807 57.195 -1.388 19646
65 1 1 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.026 0.732 19646
66 1 1 . 1 1 21 21 ARG N N 21 117.867 117.867 119.858 -1.991 19646
67 1 1 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.023 0.280 19646
68 1 1 . 1 1 21 21 ARG CA C 21 55.632 55.632 58.436 -2.804 19646
69 1 1 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.020 -0.288 19646
70 1 1 . 1 1 21 21 ARG H H 21 7.897 7.897 8.245 -0.348 19646
71 1 1 . 1 1 22 22 ALA N N 22 123.746 123.746 118.386 5.360 19646
72 1 1 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.358 -0.143 19646
73 1 1 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.506 0.755 19646
74 1 1 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.141 1.325 19646
75 1 1 . 1 1 22 22 ALA H H 22 7.345 7.345 7.989 -0.644 19646
76 1 1 . 1 1 23 23 GLU N N 23 119.157 119.157 115.813 3.344 19646
77 1 1 . 1 1 23 23 GLU HA H 23 4.542 4.542 3.875 0.667 19646
78 1 1 . 1 1 23 23 GLU CA C 23 56.544 56.544 57.811 -1.267 19646
79 1 1 . 1 1 23 23 GLU H H 23 8.061 8.061 8.259 -0.198 19646
80 1 1 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.207 0.108 19646
81 1 1 . 1 1 25 25 LEU CA C 25 55.313 55.313 56.822 -1.508 19646
82 1 1 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.019 0.133 19646
83 1 1 . 1 1 26 26 GLU N N 26 121.770 121.770 118.231 3.539 19646
84 1 1 . 1 1 26 26 GLU H H 26 8.165 8.165 7.944 0.221 19646
85 1 1 . 1 1 28 28 THR CB C 28 70.366 70.366 70.740 -0.374 19646
86 1 1 . 1 1 29 29 LYS N N 29 128.269 128.269 123.119 5.150 19646
87 1 1 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.511 0.548 19646
88 1 1 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.918 -1.044 19646
89 1 1 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.734 0.864 19646
90 1 1 . 1 1 29 29 LYS H H 29 8.762 8.762 8.439 0.323 19646
91 1 1 . 1 1 30 30 THR N N 30 116.019 116.019 117.294 -1.275 19646
92 1 1 . 1 1 30 30 THR HA H 30 5.450 5.450 4.715 0.735 19646
93 1 1 . 1 1 30 30 THR CA C 30 58.958 58.958 60.501 -1.543 19646
94 1 1 . 1 1 30 30 THR CB C 30 72.724 72.724 71.400 1.324 19646
95 1 1 . 1 1 30 30 THR H H 30 9.410 9.410 7.947 1.463 19646
96 1 1 . 1 1 31 31 CYS N N 31 115.821 115.821 122.947 -7.126 19646
97 1 1 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.266 0.110 19646
98 1 1 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.274 -3.794 19646
99 1 1 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.308 10.008 19646
100 1 1 . 1 1 31 31 CYS H H 31 8.587 8.587 9.142 -0.555 19646
101 1 1 . 1 1 32 32 GLN N N 32 115.926 115.926 117.769 -1.843 19646
102 1 1 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.208 -0.081 19646
103 1 1 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.940 0.162 19646
104 1 1 . 1 1 32 32 GLN CB C 32 29.341 29.341 29.035 0.305 19646
105 1 1 . 1 1 32 32 GLN H H 32 8.303 8.303 8.207 0.096 19646
106 1 1 . 1 1 33 33 ASN N N 33 117.107 117.107 116.178 0.929 19646
107 1 1 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.854 -0.094 19646
108 1 1 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.764 -0.837 19646
109 1 1 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.189 0.136 19646
110 1 1 . 1 1 33 33 ASN H H 33 7.925 7.925 7.870 0.055 19646
111 1 1 . 1 1 34 34 TYR N N 34 120.190 120.190 120.927 -0.737 19646
112 1 1 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.125 -0.240 19646
113 1 1 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.456 2.323 19646
114 1 1 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.757 0.321 19646
115 1 1 . 1 1 34 34 TYR H H 34 7.310 7.310 8.547 -1.237 19646
116 1 1 . 1 1 35 35 ASP N N 35 113.579 113.579 116.404 -2.825 19646
117 1 1 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.677 -0.170 19646
118 1 1 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.422 0.060 19646
119 1 1 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.343 -0.265 19646
120 1 1 . 1 1 35 35 ASP H H 35 8.291 8.291 8.568 -0.277 19646
121 1 1 . 1 1 36 36 LEU N N 36 120.878 120.878 120.031 0.847 19646
122 1 1 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.587 -0.180 19646
123 1 1 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.945 1.014 19646
124 1 1 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.432 -1.863 19646
125 1 1 . 1 1 36 36 LEU H H 36 7.787 7.787 7.393 0.394 19646
126 1 1 . 1 1 37 37 GLU N N 37 122.509 122.509 118.798 3.711 19646
127 1 1 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.104 0.016 19646
128 1 1 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.484 -0.190 19646
129 1 1 . 1 1 37 37 GLU CB C 37 30.252 30.252 29.650 0.602 19646
130 1 1 . 1 1 37 37 GLU H H 37 8.490 8.490 8.270 0.220 19646
131 1 1 . 1 1 39 39 MET HA H 39 4.588 4.588 4.742 -0.154 19646
132 1 1 . 1 1 39 39 MET CA C 39 54.180 54.180 54.305 -0.125 19646
133 1 1 . 1 1 39 39 MET CB C 39 31.754 31.754 32.709 -0.955 19646
134 1 1 . 1 1 40 40 SER N N 40 118.194 118.194 117.885 0.309 19646
135 1 1 . 1 1 40 40 SER HA H 40 4.288 4.288 4.232 0.056 19646
136 1 1 . 1 1 40 40 SER CA C 40 58.207 58.207 60.883 -2.676 19646
137 1 1 . 1 1 40 40 SER CB C 40 63.324 63.324 63.371 -0.047 19646
138 1 1 . 1 1 40 40 SER H H 40 8.374 8.374 8.646 -0.272 19646
139 1 1 . 1 1 41 41 MET HA H 41 4.677 4.677 4.429 0.248 19646
140 1 1 . 1 1 41 41 MET CA C 41 54.482 54.482 56.065 -1.583 19646
141 1 1 . 1 1 42 42 GLY N N 42 111.120 111.120 111.102 0.018 19646
142 1 1 . 1 1 42 42 GLY CA C 42 45.423 45.423 45.497 -0.074 19646
143 1 1 . 1 1 42 42 GLY H H 42 8.035 8.035 8.478 -0.443 19646
144 1 1 . 1 1 43 43 CYS N N 43 126.270 126.270 120.772 5.498 19646
145 1 1 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.347 0.209 19646
146 1 1 . 1 1 43 43 CYS CB C 43 38.600 38.600 27.064 11.536 19646
147 1 1 . 1 1 43 43 CYS H H 43 8.463 8.463 8.175 0.288 19646
148 1 1 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.118 0.100 19646
149 1 1 . 1 1 44 44 VAL CA C 44 62.334 62.334 62.194 0.140 19646
150 1 1 . 1 1 44 44 VAL CB C 44 34.050 34.050 32.422 1.628 19646
151 1 1 . 1 1 45 45 SER N N 45 126.084 126.084 121.570 4.514 19646
152 1 1 . 1 1 45 45 SER HA H 45 4.528 4.528 4.141 0.387 19646
153 1 1 . 1 1 45 45 SER CA C 45 59.211 59.211 59.614 -0.403 19646
154 1 1 . 1 1 45 45 SER CB C 45 64.191 64.191 62.437 1.754 19646
155 1 1 . 1 1 45 45 SER H H 45 8.484 8.484 8.745 -0.261 19646
156 1 1 . 1 1 46 46 GLY N N 46 107.758 107.758 111.126 -3.368 19646
157 1 1 . 1 1 46 46 GLY CA C 46 45.758 45.758 44.647 1.111 19646
158 1 1 . 1 1 46 46 GLY H H 46 8.516 8.516 8.213 0.303 19646
159 1 1 . 1 1 47 47 CYS N N 47 120.532 120.532 120.028 0.504 19646
160 1 1 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.732 -0.505 19646
161 1 1 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.221 -1.808 19646
162 1 1 . 1 1 47 47 CYS CB C 47 41.276 41.276 27.764 13.512 19646
163 1 1 . 1 1 47 47 CYS H H 47 8.554 8.554 8.514 0.040 19646
164 1 1 . 1 1 48 48 LEU N N 48 125.794 125.794 124.415 1.379 19646
165 1 1 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.856 -0.170 19646
166 1 1 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.620 1.154 19646
167 1 1 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.933 -0.361 19646
168 1 1 . 1 1 48 48 LEU H H 48 9.410 9.410 8.234 1.176 19646
169 1 1 . 1 1 49 49 CYS N N 49 119.162 119.162 117.847 1.315 19646
170 1 1 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.903 -0.381 19646
171 1 1 . 1 1 49 49 CYS CA C 49 54.090 54.090 58.154 -4.064 19646
172 1 1 . 1 1 49 49 CYS CB C 49 36.633 36.633 26.697 9.936 19646
173 1 1 . 1 1 49 49 CYS H H 49 9.188 9.188 8.886 0.302 19646
174 1 1 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.371 -0.435 19646
175 1 1 . 1 1 53 53 MET N N 53 118.736 118.736 118.569 0.167 19646
176 1 1 . 1 1 53 53 MET HA H 53 5.043 5.043 5.097 -0.054 19646
177 1 1 . 1 1 53 53 MET CA C 53 54.425 54.425 54.842 -0.417 19646
178 1 1 . 1 1 53 53 MET CB C 53 37.090 37.090 36.394 0.696 19646
179 1 1 . 1 1 53 53 MET H H 53 8.297 8.297 7.564 0.733 19646
180 1 1 . 1 1 54 54 VAL N N 54 113.319 113.319 112.123 1.196 19646
181 1 1 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.964 -0.388 19646
182 1 1 . 1 1 54 54 VAL CA C 54 58.879 58.879 58.658 0.221 19646
183 1 1 . 1 1 54 54 VAL CB C 54 35.361 35.361 35.524 -0.163 19646
184 1 1 . 1 1 54 54 VAL H H 54 9.126 9.126 9.030 0.096 19646
185 1 1 . 1 1 55 55 ARG N N 55 122.532 122.532 123.959 -1.427 19646
186 1 1 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.553 0.427 19646
187 1 1 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.094 -0.492 19646
188 1 1 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.694 0.593 19646
189 1 1 . 1 1 55 55 ARG H H 55 8.490 8.490 8.254 0.236 19646
190 1 1 . 1 1 56 56 HIS N N 56 126.203 126.203 126.504 -0.301 19646
191 1 1 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.924 -0.066 19646
192 1 1 . 1 1 56 56 HIS CA C 56 56.971 56.971 55.190 1.781 19646
193 1 1 . 1 1 56 56 HIS CB C 56 34.758 34.758 33.413 1.345 19646
194 1 1 . 1 1 56 56 HIS H H 56 9.100 9.100 9.277 -0.177 19646
195 1 1 . 1 1 57 57 GLU N N 57 125.530 125.530 128.711 -3.181 19646
196 1 1 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.760 -0.197 19646
197 1 1 . 1 1 57 57 GLU CA C 57 57.676 57.676 56.979 0.697 19646
198 1 1 . 1 1 57 57 GLU CB C 57 26.921 26.921 28.302 -1.381 19646
199 1 1 . 1 1 57 57 GLU H H 57 8.953 8.953 9.223 -0.270 19646
200 1 1 . 1 1 58 58 ASN N N 58 114.182 114.182 113.012 1.170 19646
201 1 1 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.391 0.016 19646
202 1 1 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.525 -0.552 19646
203 1 1 . 1 1 58 58 ASN CB C 58 38.074 38.074 38.381 -0.307 19646
204 1 1 . 1 1 58 58 ASN H H 58 8.687 8.687 8.445 0.242 19646
205 1 1 . 1 1 59 59 ARG N N 59 118.232 118.232 118.552 -0.320 19646
206 1 1 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.709 0.041 19646
207 1 1 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.796 -0.242 19646
208 1 1 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.647 -0.323 19646
209 1 1 . 1 1 59 59 ARG H H 59 8.027 8.027 8.080 -0.053 19646
210 1 1 . 1 1 60 60 CYS N N 60 117.965 117.965 121.657 -3.692 19646
211 1 1 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.662 -0.185 19646
212 1 1 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.247 -4.267 19646
213 1 1 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.817 14.159 19646
214 1 1 . 1 1 60 60 CYS H H 60 8.703 8.703 8.728 -0.025 19646
215 1 1 . 1 1 61 61 VAL N N 61 119.418 119.418 121.761 -2.343 19646
216 1 1 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.676 -0.051 19646
217 1 1 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.808 -0.812 19646
218 1 1 . 1 1 61 61 VAL CB C 61 36.362 36.362 36.097 0.265 19646
219 1 1 . 1 1 61 61 VAL H H 61 9.671 9.671 8.822 0.849 19646
220 1 1 . 1 1 62 62 ALA N N 62 125.768 125.768 123.733 2.035 19646
221 1 1 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.564 -0.208 19646
222 1 1 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.694 0.724 19646
223 1 1 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.804 -1.186 19646
224 1 1 . 1 1 62 62 ALA H H 62 8.552 8.552 8.319 0.233 19646
225 1 1 . 1 1 63 63 LEU N N 63 123.359 123.359 123.520 -0.161 19646
226 1 1 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.811 -0.029 19646
227 1 1 . 1 1 63 63 LEU CA C 63 58.182 58.182 59.017 -0.834 19646
228 1 1 . 1 1 63 63 LEU CB C 63 42.411 42.411 41.643 0.768 19646
229 1 1 . 1 1 63 63 LEU H H 63 7.979 7.979 8.372 -0.393 19646
230 1 1 . 1 1 64 64 GLU N N 64 113.695 113.695 114.115 -0.420 19646
231 1 1 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.975 0.050 19646
232 1 1 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.631 -0.129 19646
233 1 1 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.515 -0.248 19646
234 1 1 . 1 1 64 64 GLU H H 64 8.950 8.950 8.833 0.117 19646
235 1 1 . 1 1 65 65 ARG N N 65 118.469 118.469 116.956 1.513 19646
236 1 1 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.472 -0.227 19646
237 1 1 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.475 -0.921 19646
238 1 1 . 1 1 65 65 ARG CB C 65 29.158 29.158 31.062 -1.904 19646
239 1 1 . 1 1 65 65 ARG H H 65 8.153 8.153 7.728 0.425 19646
240 1 1 . 1 1 66 66 CYS N N 66 119.490 119.490 121.020 -1.530 19646
241 1 1 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.342 -0.118 19646
242 1 1 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.514 -2.389 19646
243 1 1 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.793 10.405 19646
244 1 1 . 1 1 66 66 CYS H H 66 7.601 7.601 7.609 -0.008 19646
245 1 1 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.394 0.043 19646
246 1 1 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.346 0.112 19646
247 1 1 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.060 1.608 19646
248 1 1 . 1 1 68 68 CYS N N 68 112.961 112.961 118.175 -5.214 19646
249 1 1 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.749 -0.421 19646
250 1 1 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.586 -1.200 19646
251 1 1 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.456 11.979 19646
252 1 1 . 1 1 68 68 CYS H H 68 8.424 8.424 8.817 -0.393 19646
253 1 1 . 1 1 69 69 PHE N N 69 118.787 118.787 119.428 -0.641 19646
254 1 1 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.006 -0.175 19646
255 1 1 . 1 1 69 69 PHE CA C 69 57.124 57.124 56.623 0.501 19646
256 1 1 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.009 0.542 19646
257 1 1 . 1 1 69 69 PHE H H 69 8.799 8.799 9.248 -0.449 19646
258 1 1 . 1 1 70 70 HIS N N 70 123.887 123.887 124.152 -0.265 19646
259 1 1 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.636 0.332 19646
260 1 1 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.775 1.980 19646
261 1 1 . 1 1 70 70 HIS CB C 70 33.828 33.828 30.200 3.628 19646
262 1 1 . 1 1 70 70 HIS H H 70 9.441 9.441 9.286 0.155 19646
263 1 1 . 1 1 71 71 GLN HA H 71 3.733 3.733 4.014 -0.281 19646
264 1 1 . 1 1 71 71 GLN CA C 71 56.512 56.512 55.626 0.886 19646
265 1 1 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.783 -1.051 19646
266 1 1 . 1 1 72 72 GLY N N 72 104.219 104.219 103.838 0.381 19646
267 1 1 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.238 0.248 19646
268 1 1 . 1 1 72 72 GLY H H 72 8.665 8.665 8.604 0.061 19646
269 1 1 . 1 1 73 73 LYS N N 73 122.208 122.208 121.130 1.078 19646
270 1 1 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.512 0.158 19646
271 1 1 . 1 1 73 73 LYS CA C 73 54.931 54.931 54.966 -0.035 19646
272 1 1 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.125 0.999 19646
273 1 1 . 1 1 73 73 LYS H H 73 7.951 7.951 8.014 -0.063 19646
274 1 1 . 1 1 74 74 GLU N N 74 122.599 122.599 122.975 -0.376 19646
275 1 1 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.025 -0.703 19646
276 1 1 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.694 -0.080 19646
277 1 1 . 1 1 74 74 GLU CB C 74 31.797 31.797 30.641 1.156 19646
278 1 1 . 1 1 74 74 GLU H H 74 8.216 8.216 8.483 -0.267 19646
279 1 1 . 1 1 75 75 TYR N N 75 124.173 124.173 123.647 0.526 19646
280 1 1 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.761 -0.330 19646
281 1 1 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.682 0.549 19646
282 1 1 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.593 0.281 19646
283 1 1 . 1 1 75 75 TYR H H 75 8.937 8.937 9.435 -0.498 19646
284 1 1 . 1 1 76 76 ALA N N 76 124.606 124.606 120.998 3.608 19646
285 1 1 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.674 -0.317 19646
286 1 1 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.279 0.653 19646
287 1 1 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.314 -1.507 19646
288 1 1 . 1 1 76 76 ALA H H 76 8.676 8.676 8.636 0.040 19646
289 1 1 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.068 -0.214 19646
290 1 1 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.461 0.423 19646
291 1 1 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.353 -0.186 19646
292 1 1 . 1 1 78 78 GLY N N 78 113.317 113.317 112.548 0.769 19646
293 1 1 . 1 1 78 78 GLY CA C 78 44.966 44.966 45.129 -0.163 19646
294 1 1 . 1 1 78 78 GLY H H 78 9.487 9.487 8.821 0.666 19646
295 1 1 . 1 1 79 79 GLU N N 79 120.804 120.804 121.602 -0.798 19646
296 1 1 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.509 -0.023 19646
297 1 1 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.345 2.265 19646
298 1 1 . 1 1 79 79 GLU CB C 79 31.261 31.261 30.725 0.536 19646
299 1 1 . 1 1 79 79 GLU H H 79 8.254 8.254 7.583 0.671 19646
300 1 1 . 1 1 80 80 THR N N 80 110.916 110.916 117.548 -6.632 19646
301 1 1 . 1 1 80 80 THR HA H 80 5.752 5.752 5.453 0.299 19646
302 1 1 . 1 1 80 80 THR CA C 80 59.984 59.984 59.804 0.180 19646
303 1 1 . 1 1 80 80 THR CB C 80 72.217 72.217 70.262 1.955 19646
304 1 1 . 1 1 80 80 THR H H 80 8.132 8.132 8.333 -0.201 19646
305 1 1 . 1 1 81 81 VAL N N 81 117.320 117.320 119.064 -1.744 19646
306 1 1 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.663 -0.459 19646
307 1 1 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.609 0.079 19646
308 1 1 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.399 0.083 19646
309 1 1 . 1 1 81 81 VAL H H 81 8.459 8.459 8.978 -0.519 19646
310 1 1 . 1 1 82 82 LYS N N 82 123.511 123.511 124.155 -0.644 19646
311 1 1 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.568 0.243 19646
312 1 1 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.652 -0.797 19646
313 1 1 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.426 -0.129 19646
314 1 1 . 1 1 82 82 LYS H H 82 8.017 8.017 8.389 -0.372 19646
315 1 1 . 1 1 83 83 ILE N N 83 125.653 125.653 128.600 -2.947 19646
316 1 1 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.334 -0.339 19646
317 1 1 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.190 0.668 19646
318 1 1 . 1 1 83 83 ILE CB C 83 38.347 38.347 38.503 -0.156 19646
319 1 1 . 1 1 83 83 ILE H H 83 8.039 8.039 9.085 -1.046 19646
320 1 1 . 1 1 84 84 GLY CA C 84 47.357 47.357 46.599 0.758 19646
321 1 1 . 1 1 85 85 CYS N N 85 122.743 122.743 125.646 -2.903 19646
322 1 1 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.516 0.413 19646
323 1 1 . 1 1 85 85 CYS CA C 85 58.558 58.558 58.065 0.493 19646
324 1 1 . 1 1 85 85 CYS CB C 85 37.971 37.971 25.943 12.028 19646
325 1 1 . 1 1 85 85 CYS H H 85 8.522 8.522 8.497 0.025 19646
326 1 1 . 1 1 86 86 ASN N N 86 121.768 121.768 117.359 4.409 19646
327 1 1 . 1 1 86 86 ASN HA H 86 4.923 4.923 4.593 0.330 19646
328 1 1 . 1 1 86 86 ASN CA C 86 53.858 53.858 52.455 1.403 19646
329 1 1 . 1 1 86 86 ASN CB C 86 41.629 41.629 42.396 -0.767 19646
330 1 1 . 1 1 86 86 ASN H H 86 8.165 8.165 7.839 0.326 19646
331 1 1 . 1 1 87 87 THR N N 87 115.576 115.576 115.303 0.273 19646
332 1 1 . 1 1 87 87 THR HA H 87 4.613 4.613 5.095 -0.482 19646
333 1 1 . 1 1 87 87 THR CA C 87 62.341 62.341 61.385 0.956 19646
334 1 1 . 1 1 87 87 THR CB C 87 70.460 70.460 70.736 -0.275 19646
335 1 1 . 1 1 87 87 THR H H 87 8.250 8.250 8.240 0.010 19646
336 1 1 . 1 1 88 88 CYS N N 88 124.212 124.212 123.723 0.489 19646
337 1 1 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.481 0.063 19646
338 1 1 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.585 -2.718 19646
339 1 1 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.852 18.607 19646
340 1 1 . 1 1 88 88 CYS H H 88 9.054 9.054 8.964 0.090 19646
341 1 1 . 1 1 89 89 VAL N N 89 122.162 122.162 122.771 -0.609 19646
342 1 1 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.365 -0.319 19646
343 1 1 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.538 0.052 19646
344 1 1 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.030 -0.835 19646
345 1 1 . 1 1 89 89 VAL H H 89 8.888 8.888 8.474 0.414 19646
346 1 1 . 1 1 90 90 CYS N N 90 128.312 128.312 129.022 -0.710 19646
347 1 1 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.979 0.191 19646
348 1 1 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.495 -2.768 19646
349 1 1 . 1 1 90 90 CYS CB C 90 36.915 36.915 25.149 11.766 19646
350 1 1 . 1 1 90 90 CYS H H 90 8.382 8.382 8.370 0.012 19646
351 1 1 . 1 1 91 91 ARG N N 91 132.067 132.067 129.740 2.327 19646
352 1 1 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.521 -0.212 19646
353 1 1 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.739 0.565 19646
354 1 1 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.814 -0.931 19646
355 1 1 . 1 1 91 91 ARG H H 91 9.051 9.051 9.103 -0.052 19646
356 1 1 . 1 1 92 92 ASP N N 92 128.437 128.437 127.100 1.337 19646
357 1 1 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.302 -0.098 19646
358 1 1 . 1 1 92 92 ASP CA C 92 55.745 55.745 54.974 0.771 19646
359 1 1 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.825 -0.683 19646
360 1 1 . 1 1 92 92 ASP H H 92 9.328 9.328 9.029 0.299 19646
361 1 1 . 1 1 93 93 ARG N N 93 108.225 108.225 111.323 -3.098 19646
362 1 1 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.683 -0.409 19646
363 1 1 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.963 0.438 19646
364 1 1 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.340 0.221 19646
365 1 1 . 1 1 93 93 ARG H H 93 8.607 8.607 8.513 0.094 19646
366 1 1 . 1 1 94 94 LYS N N 94 121.587 121.587 117.410 4.177 19646
367 1 1 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.526 -0.002 19646
368 1 1 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.464 -0.589 19646
369 1 1 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.085 0.021 19646
370 1 1 . 1 1 94 94 LYS H H 94 7.712 7.712 7.117 0.595 19646
371 1 1 . 1 1 95 95 TRP N N 95 120.035 120.035 121.375 -1.340 19646
372 1 1 . 1 1 95 95 TRP HA H 95 4.812 4.812 4.946 -0.134 19646
373 1 1 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.084 -1.198 19646
374 1 1 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.549 -0.292 19646
375 1 1 . 1 1 95 95 TRP H H 95 8.366 8.366 8.624 -0.258 19646
376 1 1 . 1 1 96 96 ASN N N 96 125.356 125.356 122.714 2.642 19646
377 1 1 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.032 0.036 19646
378 1 1 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.574 0.258 19646
379 1 1 . 1 1 96 96 ASN CB C 96 39.532 39.532 40.708 -1.176 19646
380 1 1 . 1 1 96 96 ASN H H 96 9.268 9.268 9.032 0.236 19646
381 1 1 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.130 0.582 19646
382 1 1 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.746 -2.938 19646
383 1 1 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.144 19.759 19646
384 1 1 . 1 1 98 98 THR N N 98 112.700 112.700 119.023 -6.323 19646
385 1 1 . 1 1 98 98 THR HA H 98 4.183 4.183 4.216 -0.033 19646
386 1 1 . 1 1 98 98 THR CA C 98 62.852 62.852 65.607 -2.755 19646
387 1 1 . 1 1 98 98 THR CB C 98 70.176 70.176 69.353 0.823 19646
388 1 1 . 1 1 98 98 THR H H 98 8.221 8.221 8.734 -0.513 19646
389 1 1 . 1 1 99 99 ASP N N 99 120.286 120.286 117.115 3.171 19646
390 1 1 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.081 0.568 19646
391 1 1 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.182 -2.475 19646
392 1 1 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.671 1.138 19646
393 1 1 . 1 1 99 99 ASP H H 99 8.038 8.038 8.454 -0.416 19646
394 1 1 . 1 1 100 100 HIS N N 100 120.257 120.257 113.845 6.412 19646
395 1 1 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.376 0.279 19646
396 1 1 . 1 1 100 100 HIS CA C 100 55.554 55.554 55.746 -0.192 19646
397 1 1 . 1 1 100 100 HIS CB C 100 30.875 30.875 29.881 0.994 19646
398 1 1 . 1 1 100 100 HIS H H 100 8.654 8.654 7.656 0.998 19646
399 1 1 . 1 1 101 101 VAL N N 101 123.478 123.478 119.292 4.186 19646
400 1 1 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.978 0.004 19646
401 1 1 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.998 -0.070 19646
402 1 1 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.512 -0.669 19646
403 1 1 . 1 1 101 101 VAL H H 101 8.687 8.687 8.316 0.371 19646
404 1 1 . 1 1 102 102 CYS N N 102 125.981 125.981 128.650 -2.669 19646
405 1 1 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.354 0.490 19646
406 1 1 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.499 -5.535 19646
407 1 1 . 1 1 102 102 CYS CB C 102 37.591 37.591 24.588 13.003 19646
408 1 1 . 1 1 102 102 CYS H H 102 8.700 8.700 8.687 0.013 19646
409 1 2 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.378 -0.064 19646
410 1 2 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.921 0.650 19646
411 1 2 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.933 -0.618 19646
412 1 2 . 1 1 3 3 MET HA H 3 4.438 4.438 4.674 -0.236 19646
413 1 2 . 1 1 3 3 MET CA C 3 55.752 55.752 55.496 0.256 19646
414 1 2 . 1 1 3 3 MET CB C 3 32.785 32.785 33.889 -1.104 19646
415 1 2 . 1 1 6 6 CYS N N 6 123.547 123.547 123.016 0.531 19646
416 1 2 . 1 1 6 6 CYS H H 6 8.184 8.184 8.057 0.127 19646
417 1 2 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.801 -0.236 19646
418 1 2 . 1 1 8 8 PRO CA C 8 62.078 62.078 60.311 1.767 19646
419 1 2 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.542 -0.906 19646
420 1 2 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.623 -0.059 19646
421 1 2 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.505 1.502 19646
422 1 2 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.885 0.747 19646
423 1 2 . 1 1 10 10 MET N N 10 123.176 123.176 121.200 1.976 19646
424 1 2 . 1 1 10 10 MET HA H 10 4.346 4.346 4.604 -0.258 19646
425 1 2 . 1 1 10 10 MET CA C 10 57.932 57.932 56.366 1.566 19646
426 1 2 . 1 1 10 10 MET CB C 10 33.859 33.859 34.352 -0.493 19646
427 1 2 . 1 1 10 10 MET H H 10 8.759 8.759 8.445 0.314 19646
428 1 2 . 1 1 11 11 VAL N N 11 116.266 116.266 120.986 -4.720 19646
429 1 2 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.306 -0.005 19646
430 1 2 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.087 -1.355 19646
431 1 2 . 1 1 11 11 VAL CB C 11 35.145 35.145 32.322 2.822 19646
432 1 2 . 1 1 11 11 VAL H H 11 8.855 8.855 7.869 0.986 19646
433 1 2 . 1 1 12 12 LYS N N 12 125.383 125.383 127.666 -2.283 19646
434 1 2 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.747 -0.376 19646
435 1 2 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.760 0.955 19646
436 1 2 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.252 -0.082 19646
437 1 2 . 1 1 12 12 LYS H H 12 8.448 8.448 8.458 -0.010 19646
438 1 2 . 1 1 13 13 LEU N N 13 132.136 132.136 121.211 10.925 19646
439 1 2 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.853 -0.304 19646
440 1 2 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.303 -0.191 19646
441 1 2 . 1 1 13 13 LEU CB C 13 43.288 43.288 45.252 -1.964 19646
442 1 2 . 1 1 13 13 LEU H H 13 9.145 9.145 8.945 0.200 19646
443 1 2 . 1 1 14 14 VAL N N 14 127.590 127.590 119.340 8.250 19646
444 1 2 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.481 -0.332 19646
445 1 2 . 1 1 14 14 VAL CA C 14 61.132 61.132 60.101 1.031 19646
446 1 2 . 1 1 14 14 VAL CB C 14 32.365 32.365 32.835 -0.470 19646
447 1 2 . 1 1 14 14 VAL H H 14 8.578 8.578 8.036 0.542 19646
448 1 2 . 1 1 15 15 CYS N N 15 129.201 129.201 126.857 2.344 19646
449 1 2 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.821 -0.530 19646
450 1 2 . 1 1 15 15 CYS CA C 15 56.014 56.014 56.665 -0.651 19646
451 1 2 . 1 1 15 15 CYS CB C 15 40.082 40.082 27.020 13.062 19646
452 1 2 . 1 1 15 15 CYS H H 15 8.643 8.643 8.804 -0.161 19646
453 1 2 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.285 0.212 19646
454 1 2 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.300 -0.950 19646
455 1 2 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.363 -0.212 19646
456 1 2 . 1 1 17 17 ALA N N 17 124.507 124.507 120.929 3.578 19646
457 1 2 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.117 0.003 19646
458 1 2 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.206 -0.789 19646
459 1 2 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.631 0.251 19646
460 1 2 . 1 1 17 17 ALA H H 17 8.553 8.553 8.257 0.296 19646
461 1 2 . 1 1 18 18 ASP N N 18 114.322 114.322 115.922 -1.600 19646
462 1 2 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.761 -0.256 19646
463 1 2 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.700 -0.046 19646
464 1 2 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.518 -0.131 19646
465 1 2 . 1 1 18 18 ASP H H 18 8.116 8.116 8.278 -0.162 19646
466 1 2 . 1 1 19 19 ASN N N 19 115.834 115.834 114.119 1.715 19646
467 1 2 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.547 0.109 19646
468 1 2 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.795 -0.565 19646
469 1 2 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.224 0.852 19646
470 1 2 . 1 1 19 19 ASN H H 19 7.669 7.669 8.296 -0.627 19646
471 1 2 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.655 -0.368 19646
472 1 2 . 1 1 20 20 LEU CA C 20 55.807 55.807 55.063 0.744 19646
473 1 2 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.680 0.078 19646
474 1 2 . 1 1 21 21 ARG N N 21 117.867 117.867 120.189 -2.322 19646
475 1 2 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.403 -0.100 19646
476 1 2 . 1 1 21 21 ARG CA C 21 55.632 55.632 55.947 -0.315 19646
477 1 2 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.348 -0.616 19646
478 1 2 . 1 1 21 21 ARG H H 21 7.897 7.897 7.766 0.131 19646
479 1 2 . 1 1 22 22 ALA N N 22 123.746 123.746 123.224 0.522 19646
480 1 2 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.496 -0.281 19646
481 1 2 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.379 0.882 19646
482 1 2 . 1 1 22 22 ALA CB C 22 20.466 20.466 20.225 0.241 19646
483 1 2 . 1 1 22 22 ALA H H 22 7.345 7.345 7.787 -0.442 19646
484 1 2 . 1 1 23 23 GLU N N 23 119.157 119.157 121.389 -2.232 19646
485 1 2 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.070 0.472 19646
486 1 2 . 1 1 23 23 GLU CA C 23 56.544 56.544 58.190 -1.646 19646
487 1 2 . 1 1 23 23 GLU H H 23 8.061 8.061 8.879 -0.818 19646
488 1 2 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.504 -0.189 19646
489 1 2 . 1 1 25 25 LEU CA C 25 55.313 55.313 54.137 1.176 19646
490 1 2 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.605 -0.452 19646
491 1 2 . 1 1 26 26 GLU N N 26 121.770 121.770 121.412 0.358 19646
492 1 2 . 1 1 26 26 GLU H H 26 8.165 8.165 8.779 -0.614 19646
493 1 2 . 1 1 28 28 THR CB C 28 70.366 70.366 69.885 0.481 19646
494 1 2 . 1 1 29 29 LYS N N 29 128.269 128.269 122.493 5.776 19646
495 1 2 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.698 0.361 19646
496 1 2 . 1 1 29 29 LYS CA C 29 54.874 54.874 56.009 -1.135 19646
497 1 2 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.326 1.272 19646
498 1 2 . 1 1 29 29 LYS H H 29 8.762 8.762 8.447 0.315 19646
499 1 2 . 1 1 30 30 THR N N 30 116.019 116.019 113.089 2.930 19646
500 1 2 . 1 1 30 30 THR HA H 30 5.450 5.450 4.672 0.778 19646
501 1 2 . 1 1 30 30 THR CA C 30 58.958 58.958 59.627 -0.669 19646
502 1 2 . 1 1 30 30 THR CB C 30 72.724 72.724 72.047 0.677 19646
503 1 2 . 1 1 30 30 THR H H 30 9.410 9.410 7.946 1.464 19646
504 1 2 . 1 1 31 31 CYS N N 31 115.821 115.821 120.304 -4.483 19646
505 1 2 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.211 0.165 19646
506 1 2 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.736 -4.256 19646
507 1 2 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.149 10.167 19646
508 1 2 . 1 1 31 31 CYS H H 31 8.587 8.587 9.450 -0.863 19646
509 1 2 . 1 1 32 32 GLN N N 32 115.926 115.926 116.266 -0.340 19646
510 1 2 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.116 0.011 19646
511 1 2 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.623 0.479 19646
512 1 2 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.611 0.730 19646
513 1 2 . 1 1 32 32 GLN H H 32 8.303 8.303 8.458 -0.155 19646
514 1 2 . 1 1 33 33 ASN N N 33 117.107 117.107 116.158 0.949 19646
515 1 2 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.779 -0.019 19646
516 1 2 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.761 -0.834 19646
517 1 2 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.768 -0.443 19646
518 1 2 . 1 1 33 33 ASN H H 33 7.925 7.925 7.685 0.240 19646
519 1 2 . 1 1 34 34 TYR N N 34 120.190 120.190 121.498 -1.308 19646
520 1 2 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.201 -0.316 19646
521 1 2 . 1 1 34 34 TYR CA C 34 63.779 63.779 60.838 2.941 19646
522 1 2 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.508 0.570 19646
523 1 2 . 1 1 34 34 TYR H H 34 7.310 7.310 8.566 -1.256 19646
524 1 2 . 1 1 35 35 ASP N N 35 113.579 113.579 116.620 -3.041 19646
525 1 2 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.431 0.076 19646
526 1 2 . 1 1 35 35 ASP CA C 35 54.482 54.482 55.177 -0.695 19646
527 1 2 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.519 -0.441 19646
528 1 2 . 1 1 35 35 ASP H H 35 8.291 8.291 8.645 -0.354 19646
529 1 2 . 1 1 36 36 LEU N N 36 120.878 120.878 120.040 0.838 19646
530 1 2 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.591 -0.185 19646
531 1 2 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.609 1.350 19646
532 1 2 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.527 -1.958 19646
533 1 2 . 1 1 36 36 LEU H H 36 7.787 7.787 7.279 0.508 19646
534 1 2 . 1 1 37 37 GLU N N 37 122.509 122.509 119.506 3.003 19646
535 1 2 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.167 -0.047 19646
536 1 2 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.766 -0.471 19646
537 1 2 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.105 0.147 19646
538 1 2 . 1 1 37 37 GLU H H 37 8.490 8.490 8.363 0.127 19646
539 1 2 . 1 1 39 39 MET HA H 39 4.588 4.588 4.551 0.037 19646
540 1 2 . 1 1 39 39 MET CA C 39 54.180 54.180 55.267 -1.087 19646
541 1 2 . 1 1 39 39 MET CB C 39 31.754 31.754 32.960 -1.206 19646
542 1 2 . 1 1 40 40 SER N N 40 118.194 118.194 116.353 1.841 19646
543 1 2 . 1 1 40 40 SER HA H 40 4.288 4.288 4.205 0.083 19646
544 1 2 . 1 1 40 40 SER CA C 40 58.207 58.207 59.383 -1.176 19646
545 1 2 . 1 1 40 40 SER CB C 40 63.324 63.324 62.228 1.096 19646
546 1 2 . 1 1 40 40 SER H H 40 8.374 8.374 8.400 -0.026 19646
547 1 2 . 1 1 41 41 MET HA H 41 4.677 4.677 4.653 0.024 19646
548 1 2 . 1 1 41 41 MET CA C 41 54.482 54.482 55.426 -0.944 19646
549 1 2 . 1 1 42 42 GLY N N 42 111.120 111.120 111.811 -0.691 19646
550 1 2 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.353 1.069 19646
551 1 2 . 1 1 42 42 GLY H H 42 8.035 8.035 8.363 -0.328 19646
552 1 2 . 1 1 43 43 CYS N N 43 126.270 126.270 118.832 7.438 19646
553 1 2 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.300 0.256 19646
554 1 2 . 1 1 43 43 CYS CB C 43 38.600 38.600 26.415 12.185 19646
555 1 2 . 1 1 43 43 CYS H H 43 8.463 8.463 7.846 0.617 19646
556 1 2 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.464 -0.246 19646
557 1 2 . 1 1 44 44 VAL CA C 44 62.334 62.334 59.791 2.543 19646
558 1 2 . 1 1 44 44 VAL CB C 44 34.050 34.050 34.851 -0.801 19646
559 1 2 . 1 1 45 45 SER N N 45 126.084 126.084 117.416 8.668 19646
560 1 2 . 1 1 45 45 SER HA H 45 4.528 4.528 4.641 -0.113 19646
561 1 2 . 1 1 45 45 SER CA C 45 59.211 59.211 59.350 -0.139 19646
562 1 2 . 1 1 45 45 SER CB C 45 64.191 64.191 63.707 0.484 19646
563 1 2 . 1 1 45 45 SER H H 45 8.484 8.484 8.479 0.005 19646
564 1 2 . 1 1 46 46 GLY N N 46 107.758 107.758 111.525 -3.767 19646
565 1 2 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.365 0.393 19646
566 1 2 . 1 1 46 46 GLY H H 46 8.516 8.516 8.303 0.213 19646
567 1 2 . 1 1 47 47 CYS N N 47 120.532 120.532 117.483 3.049 19646
568 1 2 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.763 -0.536 19646
569 1 2 . 1 1 47 47 CYS CA C 47 54.413 54.413 55.998 -1.585 19646
570 1 2 . 1 1 47 47 CYS CB C 47 41.276 41.276 29.069 12.207 19646
571 1 2 . 1 1 47 47 CYS H H 47 8.554 8.554 8.422 0.132 19646
572 1 2 . 1 1 48 48 LEU N N 48 125.794 125.794 123.067 2.727 19646
573 1 2 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.767 -0.081 19646
574 1 2 . 1 1 48 48 LEU CA C 48 53.774 53.774 53.191 0.583 19646
575 1 2 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.935 -0.363 19646
576 1 2 . 1 1 48 48 LEU H H 48 9.410 9.410 8.478 0.932 19646
577 1 2 . 1 1 49 49 CYS N N 49 119.162 119.162 117.769 1.393 19646
578 1 2 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.793 -0.271 19646
579 1 2 . 1 1 49 49 CYS CA C 49 54.090 54.090 56.685 -2.595 19646
580 1 2 . 1 1 49 49 CYS CB C 49 36.633 36.633 28.113 8.520 19646
581 1 2 . 1 1 49 49 CYS H H 49 9.188 9.188 8.507 0.681 19646
582 1 2 . 1 1 52 52 GLY CA C 52 44.936 44.936 44.736 0.200 19646
583 1 2 . 1 1 53 53 MET N N 53 118.736 118.736 119.337 -0.601 19646
584 1 2 . 1 1 53 53 MET HA H 53 5.043 5.043 5.015 0.028 19646
585 1 2 . 1 1 53 53 MET CA C 53 54.425 54.425 53.718 0.707 19646
586 1 2 . 1 1 53 53 MET CB C 53 37.090 37.090 36.690 0.400 19646
587 1 2 . 1 1 53 53 MET H H 53 8.297 8.297 7.418 0.879 19646
588 1 2 . 1 1 54 54 VAL N N 54 113.319 113.319 116.979 -3.660 19646
589 1 2 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.570 0.006 19646
590 1 2 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.649 -0.770 19646
591 1 2 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.917 0.444 19646
592 1 2 . 1 1 54 54 VAL H H 54 9.126 9.126 8.943 0.183 19646
593 1 2 . 1 1 55 55 ARG N N 55 122.532 122.532 124.945 -2.413 19646
594 1 2 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.691 0.289 19646
595 1 2 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.051 -0.449 19646
596 1 2 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.708 0.579 19646
597 1 2 . 1 1 55 55 ARG H H 55 8.490 8.490 8.866 -0.376 19646
598 1 2 . 1 1 56 56 HIS N N 56 126.203 126.203 124.033 2.170 19646
599 1 2 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.840 0.018 19646
600 1 2 . 1 1 56 56 HIS CA C 56 56.971 56.971 55.311 1.660 19646
601 1 2 . 1 1 56 56 HIS CB C 56 34.758 34.758 33.809 0.949 19646
602 1 2 . 1 1 56 56 HIS H H 56 9.100 9.100 9.307 -0.207 19646
603 1 2 . 1 1 57 57 GLU N N 57 125.530 125.530 128.276 -2.746 19646
604 1 2 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.815 -0.252 19646
605 1 2 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.283 0.392 19646
606 1 2 . 1 1 57 57 GLU CB C 57 26.921 26.921 28.494 -1.573 19646
607 1 2 . 1 1 57 57 GLU H H 57 8.953 8.953 9.286 -0.333 19646
608 1 2 . 1 1 58 58 ASN N N 58 114.182 114.182 112.088 2.094 19646
609 1 2 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.499 -0.092 19646
610 1 2 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.406 -0.433 19646
611 1 2 . 1 1 58 58 ASN CB C 58 38.074 38.074 38.333 -0.259 19646
612 1 2 . 1 1 58 58 ASN H H 58 8.687 8.687 8.393 0.294 19646
613 1 2 . 1 1 59 59 ARG N N 59 118.232 118.232 117.946 0.286 19646
614 1 2 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.720 0.030 19646
615 1 2 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.581 -0.027 19646
616 1 2 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.821 -0.496 19646
617 1 2 . 1 1 59 59 ARG H H 59 8.027 8.027 8.515 -0.488 19646
618 1 2 . 1 1 60 60 CYS N N 60 117.965 117.965 121.666 -3.701 19646
619 1 2 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.494 -0.017 19646
620 1 2 . 1 1 60 60 CYS CA C 60 53.980 53.980 57.671 -3.691 19646
621 1 2 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.792 14.184 19646
622 1 2 . 1 1 60 60 CYS H H 60 8.703 8.703 8.732 -0.029 19646
623 1 2 . 1 1 61 61 VAL N N 61 119.418 119.418 119.943 -0.525 19646
624 1 2 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.672 -0.047 19646
625 1 2 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.607 -0.611 19646
626 1 2 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.857 0.505 19646
627 1 2 . 1 1 61 61 VAL H H 61 9.671 9.671 8.916 0.755 19646
628 1 2 . 1 1 62 62 ALA N N 62 125.768 125.768 123.514 2.254 19646
629 1 2 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.670 -0.314 19646
630 1 2 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.686 0.732 19646
631 1 2 . 1 1 62 62 ALA CB C 62 18.618 18.618 20.034 -1.416 19646
632 1 2 . 1 1 62 62 ALA H H 62 8.552 8.552 8.444 0.108 19646
633 1 2 . 1 1 63 63 LEU N N 63 123.359 123.359 122.798 0.561 19646
634 1 2 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.916 -0.134 19646
635 1 2 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.414 -0.232 19646
636 1 2 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.866 1.545 19646
637 1 2 . 1 1 63 63 LEU H H 63 7.979 7.979 8.611 -0.632 19646
638 1 2 . 1 1 64 64 GLU N N 64 113.695 113.695 114.491 -0.796 19646
639 1 2 . 1 1 64 64 GLU HA H 64 4.025 4.025 4.070 -0.045 19646
640 1 2 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.458 0.044 19646
641 1 2 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.564 -0.297 19646
642 1 2 . 1 1 64 64 GLU H H 64 8.950 8.950 8.748 0.202 19646
643 1 2 . 1 1 65 65 ARG N N 65 118.469 118.469 117.184 1.285 19646
644 1 2 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.462 -0.217 19646
645 1 2 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.566 -1.012 19646
646 1 2 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.907 -1.749 19646
647 1 2 . 1 1 65 65 ARG H H 65 8.153 8.153 7.867 0.286 19646
648 1 2 . 1 1 66 66 CYS N N 66 119.490 119.490 121.163 -1.673 19646
649 1 2 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.404 -0.180 19646
650 1 2 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.414 -2.289 19646
651 1 2 . 1 1 66 66 CYS CB C 66 37.198 37.198 27.065 10.133 19646
652 1 2 . 1 1 66 66 CYS H H 66 7.601 7.601 7.451 0.150 19646
653 1 2 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.294 0.143 19646
654 1 2 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.158 0.300 19646
655 1 2 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.309 1.359 19646
656 1 2 . 1 1 68 68 CYS N N 68 112.961 112.961 116.930 -3.969 19646
657 1 2 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.793 -0.465 19646
658 1 2 . 1 1 68 68 CYS CA C 68 56.386 56.386 58.324 -1.938 19646
659 1 2 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.327 12.108 19646
660 1 2 . 1 1 68 68 CYS H H 68 8.424 8.424 8.352 0.072 19646
661 1 2 . 1 1 69 69 PHE N N 69 118.787 118.787 119.069 -0.282 19646
662 1 2 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.003 -0.172 19646
663 1 2 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.180 -0.056 19646
664 1 2 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.222 0.329 19646
665 1 2 . 1 1 69 69 PHE H H 69 8.799 8.799 9.212 -0.413 19646
666 1 2 . 1 1 70 70 HIS N N 70 123.887 123.887 123.891 -0.004 19646
667 1 2 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.898 0.070 19646
668 1 2 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.716 2.039 19646
669 1 2 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.400 1.428 19646
670 1 2 . 1 1 70 70 HIS H H 70 9.441 9.441 9.831 -0.390 19646
671 1 2 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.844 -0.111 19646
672 1 2 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.412 0.100 19646
673 1 2 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.267 -0.535 19646
674 1 2 . 1 1 72 72 GLY N N 72 104.219 104.219 103.400 0.819 19646
675 1 2 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.088 0.398 19646
676 1 2 . 1 1 72 72 GLY H H 72 8.665 8.665 8.505 0.160 19646
677 1 2 . 1 1 73 73 LYS N N 73 122.208 122.208 121.575 0.633 19646
678 1 2 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.538 0.132 19646
679 1 2 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.250 -0.319 19646
680 1 2 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.304 0.820 19646
681 1 2 . 1 1 73 73 LYS H H 73 7.951 7.951 7.889 0.062 19646
682 1 2 . 1 1 74 74 GLU N N 74 122.599 122.599 120.933 1.666 19646
683 1 2 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.020 -0.698 19646
684 1 2 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.358 0.256 19646
685 1 2 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.236 0.561 19646
686 1 2 . 1 1 74 74 GLU H H 74 8.216 8.216 8.407 -0.191 19646
687 1 2 . 1 1 75 75 TYR N N 75 124.173 124.173 123.037 1.136 19646
688 1 2 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.740 -0.309 19646
689 1 2 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.507 0.724 19646
690 1 2 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.550 0.324 19646
691 1 2 . 1 1 75 75 TYR H H 75 8.937 8.937 9.136 -0.199 19646
692 1 2 . 1 1 76 76 ALA N N 76 124.606 124.606 121.247 3.359 19646
693 1 2 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.632 -0.275 19646
694 1 2 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.396 0.537 19646
695 1 2 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.587 -1.780 19646
696 1 2 . 1 1 76 76 ALA H H 76 8.676 8.676 8.708 -0.032 19646
697 1 2 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.077 -0.223 19646
698 1 2 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.659 0.225 19646
699 1 2 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.204 -0.037 19646
700 1 2 . 1 1 78 78 GLY N N 78 113.317 113.317 112.747 0.570 19646
701 1 2 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.927 0.039 19646
702 1 2 . 1 1 78 78 GLY H H 78 9.487 9.487 8.790 0.697 19646
703 1 2 . 1 1 79 79 GLU N N 79 120.804 120.804 121.692 -0.888 19646
704 1 2 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.537 -0.051 19646
705 1 2 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.823 1.787 19646
706 1 2 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.520 -0.260 19646
707 1 2 . 1 1 79 79 GLU H H 79 8.254 8.254 7.811 0.443 19646
708 1 2 . 1 1 80 80 THR N N 80 110.916 110.916 116.456 -5.540 19646
709 1 2 . 1 1 80 80 THR HA H 80 5.752 5.752 5.539 0.213 19646
710 1 2 . 1 1 80 80 THR CA C 80 59.984 59.984 59.322 0.662 19646
711 1 2 . 1 1 80 80 THR CB C 80 72.217 72.217 70.782 1.435 19646
712 1 2 . 1 1 80 80 THR H H 80 8.132 8.132 8.387 -0.255 19646
713 1 2 . 1 1 81 81 VAL N N 81 117.320 117.320 118.267 -0.947 19646
714 1 2 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.460 -0.256 19646
715 1 2 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.133 0.555 19646
716 1 2 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.466 0.016 19646
717 1 2 . 1 1 81 81 VAL H H 81 8.459 8.459 9.154 -0.695 19646
718 1 2 . 1 1 82 82 LYS N N 82 123.511 123.511 125.591 -2.080 19646
719 1 2 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.530 0.281 19646
720 1 2 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.063 -0.208 19646
721 1 2 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.039 0.258 19646
722 1 2 . 1 1 82 82 LYS H H 82 8.017 8.017 8.348 -0.331 19646
723 1 2 . 1 1 83 83 ILE N N 83 125.653 125.653 126.680 -1.027 19646
724 1 2 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.314 -0.319 19646
725 1 2 . 1 1 83 83 ILE CA C 83 60.858 60.858 59.886 0.972 19646
726 1 2 . 1 1 83 83 ILE CB C 83 38.347 38.347 40.045 -1.698 19646
727 1 2 . 1 1 83 83 ILE H H 83 8.039 8.039 8.995 -0.956 19646
728 1 2 . 1 1 84 84 GLY CA C 84 47.357 47.357 47.117 0.240 19646
729 1 2 . 1 1 85 85 CYS N N 85 122.743 122.743 124.145 -1.402 19646
730 1 2 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.535 0.394 19646
731 1 2 . 1 1 85 85 CYS CA C 85 58.558 58.558 58.002 0.556 19646
732 1 2 . 1 1 85 85 CYS CB C 85 37.971 37.971 25.763 12.208 19646
733 1 2 . 1 1 85 85 CYS H H 85 8.522 8.522 8.583 -0.061 19646
734 1 2 . 1 1 86 86 ASN N N 86 121.768 121.768 118.430 3.338 19646
735 1 2 . 1 1 86 86 ASN HA H 86 4.923 4.923 4.663 0.260 19646
736 1 2 . 1 1 86 86 ASN CA C 86 53.858 53.858 51.524 2.334 19646
737 1 2 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.846 0.783 19646
738 1 2 . 1 1 86 86 ASN H H 86 8.165 8.165 8.174 -0.009 19646
739 1 2 . 1 1 87 87 THR N N 87 115.576 115.576 114.248 1.328 19646
740 1 2 . 1 1 87 87 THR HA H 87 4.613 4.613 5.078 -0.465 19646
741 1 2 . 1 1 87 87 THR CA C 87 62.341 62.341 60.646 1.695 19646
742 1 2 . 1 1 87 87 THR CB C 87 70.460 70.460 70.806 -0.346 19646
743 1 2 . 1 1 87 87 THR H H 87 8.250 8.250 8.286 -0.036 19646
744 1 2 . 1 1 88 88 CYS N N 88 124.212 124.212 121.913 2.299 19646
745 1 2 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.477 0.067 19646
746 1 2 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.337 -2.470 19646
747 1 2 . 1 1 88 88 CYS CB C 88 50.459 50.459 32.328 18.131 19646
748 1 2 . 1 1 88 88 CYS H H 88 9.054 9.054 8.990 0.064 19646
749 1 2 . 1 1 89 89 VAL N N 89 122.162 122.162 119.349 2.813 19646
750 1 2 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.301 -0.255 19646
751 1 2 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.618 -0.028 19646
752 1 2 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.070 -0.875 19646
753 1 2 . 1 1 89 89 VAL H H 89 8.888 8.888 8.424 0.464 19646
754 1 2 . 1 1 90 90 CYS N N 90 128.312 128.312 128.568 -0.256 19646
755 1 2 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.769 0.401 19646
756 1 2 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.725 -2.998 19646
757 1 2 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.772 12.143 19646
758 1 2 . 1 1 90 90 CYS H H 90 8.382 8.382 8.519 -0.137 19646
759 1 2 . 1 1 91 91 ARG N N 91 132.067 132.067 129.682 2.385 19646
760 1 2 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.610 -0.301 19646
761 1 2 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.106 1.198 19646
762 1 2 . 1 1 91 91 ARG CB C 91 32.883 32.883 34.138 -1.255 19646
763 1 2 . 1 1 91 91 ARG H H 91 9.051 9.051 9.045 0.006 19646
764 1 2 . 1 1 92 92 ASP N N 92 128.437 128.437 125.310 3.127 19646
765 1 2 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.272 -0.068 19646
766 1 2 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.154 0.591 19646
767 1 2 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.692 -0.550 19646
768 1 2 . 1 1 92 92 ASP H H 92 9.328 9.328 9.027 0.301 19646
769 1 2 . 1 1 93 93 ARG N N 93 108.225 108.225 112.202 -3.977 19646
770 1 2 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.829 -0.555 19646
771 1 2 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.922 0.479 19646
772 1 2 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.713 -0.152 19646
773 1 2 . 1 1 93 93 ARG H H 93 8.607 8.607 8.580 0.027 19646
774 1 2 . 1 1 94 94 LYS N N 94 121.587 121.587 117.907 3.680 19646
775 1 2 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.547 -0.023 19646
776 1 2 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.171 -0.296 19646
777 1 2 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.071 0.035 19646
778 1 2 . 1 1 94 94 LYS H H 94 7.712 7.712 7.501 0.211 19646
779 1 2 . 1 1 95 95 TRP N N 95 120.035 120.035 121.956 -1.921 19646
780 1 2 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.015 -0.203 19646
781 1 2 . 1 1 95 95 TRP CA C 95 55.886 55.886 56.937 -1.050 19646
782 1 2 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.599 -0.342 19646
783 1 2 . 1 1 95 95 TRP H H 95 8.366 8.366 8.561 -0.195 19646
784 1 2 . 1 1 96 96 ASN N N 96 125.356 125.356 123.486 1.870 19646
785 1 2 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.009 0.059 19646
786 1 2 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.175 0.657 19646
787 1 2 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.467 0.065 19646
788 1 2 . 1 1 96 96 ASN H H 96 9.268 9.268 8.892 0.376 19646
789 1 2 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.015 0.697 19646
790 1 2 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.855 -3.047 19646
791 1 2 . 1 1 97 97 CYS CB C 97 47.903 47.903 27.481 20.422 19646
792 1 2 . 1 1 98 98 THR N N 98 112.700 112.700 118.813 -6.113 19646
793 1 2 . 1 1 98 98 THR HA H 98 4.183 4.183 4.077 0.106 19646
794 1 2 . 1 1 98 98 THR CA C 98 62.852 62.852 65.869 -3.017 19646
795 1 2 . 1 1 98 98 THR CB C 98 70.176 70.176 69.287 0.889 19646
796 1 2 . 1 1 98 98 THR H H 98 8.221 8.221 8.772 -0.551 19646
797 1 2 . 1 1 99 99 ASP N N 99 120.286 120.286 118.130 2.156 19646
798 1 2 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.213 0.436 19646
799 1 2 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.094 -2.387 19646
800 1 2 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.890 0.919 19646
801 1 2 . 1 1 99 99 ASP H H 99 8.038 8.038 8.579 -0.541 19646
802 1 2 . 1 1 100 100 HIS N N 100 120.257 120.257 115.465 4.792 19646
803 1 2 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.422 0.233 19646
804 1 2 . 1 1 100 100 HIS CA C 100 55.554 55.554 55.872 -0.318 19646
805 1 2 . 1 1 100 100 HIS CB C 100 30.875 30.875 29.747 1.128 19646
806 1 2 . 1 1 100 100 HIS H H 100 8.654 8.654 7.036 1.618 19646
807 1 2 . 1 1 101 101 VAL N N 101 123.478 123.478 119.545 3.933 19646
808 1 2 . 1 1 101 101 VAL HA H 101 3.982 3.982 4.077 -0.095 19646
809 1 2 . 1 1 101 101 VAL CA C 101 62.929 62.929 63.470 -0.541 19646
810 1 2 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.149 -0.306 19646
811 1 2 . 1 1 101 101 VAL H H 101 8.687 8.687 8.371 0.316 19646
812 1 2 . 1 1 102 102 CYS N N 102 125.981 125.981 127.492 -1.511 19646
813 1 2 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.354 0.490 19646
814 1 2 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.407 -5.442 19646
815 1 2 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.261 12.330 19646
816 1 2 . 1 1 102 102 CYS H H 102 8.700 8.700 8.716 -0.016 19646
817 1 3 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.393 -0.078 19646
818 1 3 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.213 0.358 19646
819 1 3 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.550 -0.235 19646
820 1 3 . 1 1 3 3 MET HA H 3 4.438 4.438 4.699 -0.261 19646
821 1 3 . 1 1 3 3 MET CA C 3 55.752 55.752 55.291 0.461 19646
822 1 3 . 1 1 3 3 MET CB C 3 32.785 32.785 33.021 -0.236 19646
823 1 3 . 1 1 6 6 CYS N N 6 123.547 123.547 118.907 4.640 19646
824 1 3 . 1 1 6 6 CYS H H 6 8.184 8.184 8.757 -0.573 19646
825 1 3 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.621 -0.056 19646
826 1 3 . 1 1 8 8 PRO CA C 8 62.078 62.078 61.410 0.668 19646
827 1 3 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.384 -0.748 19646
828 1 3 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.549 0.015 19646
829 1 3 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.511 1.496 19646
830 1 3 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.711 0.921 19646
831 1 3 . 1 1 10 10 MET N N 10 123.176 123.176 121.253 1.923 19646
832 1 3 . 1 1 10 10 MET HA H 10 4.346 4.346 4.656 -0.310 19646
833 1 3 . 1 1 10 10 MET CA C 10 57.932 57.932 55.782 2.150 19646
834 1 3 . 1 1 10 10 MET CB C 10 33.859 33.859 33.618 0.241 19646
835 1 3 . 1 1 10 10 MET H H 10 8.759 8.759 8.543 0.216 19646
836 1 3 . 1 1 11 11 VAL N N 11 116.266 116.266 121.725 -5.459 19646
837 1 3 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.282 0.019 19646
838 1 3 . 1 1 11 11 VAL CA C 11 59.732 59.732 60.925 -1.193 19646
839 1 3 . 1 1 11 11 VAL CB C 11 35.145 35.145 31.325 3.820 19646
840 1 3 . 1 1 11 11 VAL H H 11 8.855 8.855 7.652 1.203 19646
841 1 3 . 1 1 12 12 LYS N N 12 125.383 125.383 127.453 -2.070 19646
842 1 3 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.823 -0.452 19646
843 1 3 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.436 1.279 19646
844 1 3 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.167 0.003 19646
845 1 3 . 1 1 12 12 LYS H H 12 8.448 8.448 8.557 -0.109 19646
846 1 3 . 1 1 13 13 LEU N N 13 132.136 132.136 121.181 10.955 19646
847 1 3 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.889 -0.340 19646
848 1 3 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.390 -0.278 19646
849 1 3 . 1 1 13 13 LEU CB C 13 43.288 43.288 43.822 -0.534 19646
850 1 3 . 1 1 13 13 LEU H H 13 9.145 9.145 8.726 0.419 19646
851 1 3 . 1 1 14 14 VAL N N 14 127.590 127.590 118.345 9.245 19646
852 1 3 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.465 -0.316 19646
853 1 3 . 1 1 14 14 VAL CA C 14 61.132 61.132 60.116 1.016 19646
854 1 3 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.931 -2.566 19646
855 1 3 . 1 1 14 14 VAL H H 14 8.578 8.578 7.928 0.650 19646
856 1 3 . 1 1 15 15 CYS N N 15 129.201 129.201 121.412 7.789 19646
857 1 3 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.887 -0.596 19646
858 1 3 . 1 1 15 15 CYS CA C 15 56.014 56.014 56.678 -0.664 19646
859 1 3 . 1 1 15 15 CYS CB C 15 40.082 40.082 25.609 14.473 19646
860 1 3 . 1 1 15 15 CYS H H 15 8.643 8.643 8.396 0.247 19646
861 1 3 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.338 0.159 19646
862 1 3 . 1 1 16 16 PRO CA C 16 62.350 62.350 62.842 -0.492 19646
863 1 3 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.230 -0.079 19646
864 1 3 . 1 1 17 17 ALA N N 17 124.507 124.507 122.937 1.570 19646
865 1 3 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.078 0.042 19646
866 1 3 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.306 -0.889 19646
867 1 3 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.460 0.422 19646
868 1 3 . 1 1 17 17 ALA H H 17 8.553 8.553 8.496 0.057 19646
869 1 3 . 1 1 18 18 ASP N N 18 114.322 114.322 116.917 -2.595 19646
870 1 3 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.713 -0.208 19646
871 1 3 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.336 0.318 19646
872 1 3 . 1 1 18 18 ASP CB C 18 40.387 40.387 39.698 0.689 19646
873 1 3 . 1 1 18 18 ASP H H 18 8.116 8.116 8.218 -0.102 19646
874 1 3 . 1 1 19 19 ASN N N 19 115.834 115.834 115.111 0.723 19646
875 1 3 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.327 0.329 19646
876 1 3 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.799 -0.569 19646
877 1 3 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.077 0.999 19646
878 1 3 . 1 1 19 19 ASN H H 19 7.669 7.669 7.740 -0.071 19646
879 1 3 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.627 -0.340 19646
880 1 3 . 1 1 20 20 LEU CA C 20 55.807 55.807 54.765 1.042 19646
881 1 3 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.920 -0.162 19646
882 1 3 . 1 1 21 21 ARG N N 21 117.867 117.867 119.762 -1.895 19646
883 1 3 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.460 -0.157 19646
884 1 3 . 1 1 21 21 ARG CA C 21 55.632 55.632 55.881 -0.249 19646
885 1 3 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.216 -0.484 19646
886 1 3 . 1 1 21 21 ARG H H 21 7.897 7.897 7.998 -0.101 19646
887 1 3 . 1 1 22 22 ALA N N 22 123.746 123.746 122.011 1.735 19646
888 1 3 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.972 -0.757 19646
889 1 3 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.664 0.597 19646
890 1 3 . 1 1 22 22 ALA CB C 22 20.466 20.466 21.084 -0.618 19646
891 1 3 . 1 1 22 22 ALA H H 22 7.345 7.345 7.872 -0.527 19646
892 1 3 . 1 1 23 23 GLU N N 23 119.157 119.157 119.600 -0.443 19646
893 1 3 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.649 -0.107 19646
894 1 3 . 1 1 23 23 GLU CA C 23 56.544 56.544 55.238 1.306 19646
895 1 3 . 1 1 23 23 GLU H H 23 8.061 8.061 8.247 -0.186 19646
896 1 3 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.091 0.224 19646
897 1 3 . 1 1 25 25 LEU CA C 25 55.313 55.313 56.938 -1.625 19646
898 1 3 . 1 1 25 25 LEU CB C 25 42.152 42.152 41.084 1.068 19646
899 1 3 . 1 1 26 26 GLU N N 26 121.770 121.770 118.063 3.707 19646
900 1 3 . 1 1 26 26 GLU H H 26 8.165 8.165 8.111 0.054 19646
901 1 3 . 1 1 28 28 THR CB C 28 70.366 70.366 71.758 -1.392 19646
902 1 3 . 1 1 29 29 LYS N N 29 128.269 128.269 122.522 5.747 19646
903 1 3 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.827 0.232 19646
904 1 3 . 1 1 29 29 LYS CA C 29 54.874 54.874 56.058 -1.184 19646
905 1 3 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.714 0.884 19646
906 1 3 . 1 1 29 29 LYS H H 29 8.762 8.762 8.448 0.314 19646
907 1 3 . 1 1 30 30 THR N N 30 116.019 116.019 112.522 3.497 19646
908 1 3 . 1 1 30 30 THR HA H 30 5.450 5.450 5.333 0.117 19646
909 1 3 . 1 1 30 30 THR CA C 30 58.958 58.958 59.745 -0.786 19646
910 1 3 . 1 1 30 30 THR CB C 30 72.724 72.724 72.493 0.231 19646
911 1 3 . 1 1 30 30 THR H H 30 9.410 9.410 9.551 -0.141 19646
912 1 3 . 1 1 31 31 CYS N N 31 115.821 115.821 121.430 -5.609 19646
913 1 3 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.292 0.084 19646
914 1 3 . 1 1 31 31 CYS CA C 31 57.480 57.480 60.962 -3.482 19646
915 1 3 . 1 1 31 31 CYS CB C 31 36.316 36.316 25.685 10.631 19646
916 1 3 . 1 1 31 31 CYS H H 31 8.587 8.587 9.352 -0.765 19646
917 1 3 . 1 1 32 32 GLN N N 32 115.926 115.926 115.374 0.552 19646
918 1 3 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.236 -0.109 19646
919 1 3 . 1 1 32 32 GLN CA C 32 58.102 58.102 56.891 1.211 19646
920 1 3 . 1 1 32 32 GLN CB C 32 29.341 29.341 29.496 -0.155 19646
921 1 3 . 1 1 32 32 GLN H H 32 8.303 8.303 8.259 0.044 19646
922 1 3 . 1 1 33 33 ASN N N 33 117.107 117.107 116.401 0.706 19646
923 1 3 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.725 0.035 19646
924 1 3 . 1 1 33 33 ASN CA C 33 51.927 51.927 53.507 -1.580 19646
925 1 3 . 1 1 33 33 ASN CB C 33 39.325 39.325 38.683 0.642 19646
926 1 3 . 1 1 33 33 ASN H H 33 7.925 7.925 7.816 0.109 19646
927 1 3 . 1 1 34 34 TYR N N 34 120.190 120.190 123.026 -2.836 19646
928 1 3 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.093 -0.208 19646
929 1 3 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.993 1.786 19646
930 1 3 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.709 0.369 19646
931 1 3 . 1 1 34 34 TYR H H 34 7.310 7.310 8.511 -1.201 19646
932 1 3 . 1 1 35 35 ASP N N 35 113.579 113.579 116.000 -2.421 19646
933 1 3 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.571 -0.064 19646
934 1 3 . 1 1 35 35 ASP CA C 35 54.482 54.482 53.785 0.697 19646
935 1 3 . 1 1 35 35 ASP CB C 35 41.078 41.078 40.831 0.247 19646
936 1 3 . 1 1 35 35 ASP H H 35 8.291 8.291 8.823 -0.532 19646
937 1 3 . 1 1 36 36 LEU N N 36 120.878 120.878 119.913 0.965 19646
938 1 3 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.668 -0.262 19646
939 1 3 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.941 1.018 19646
940 1 3 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.613 -2.044 19646
941 1 3 . 1 1 36 36 LEU H H 36 7.787 7.787 7.246 0.541 19646
942 1 3 . 1 1 37 37 GLU N N 37 122.509 122.509 120.146 2.363 19646
943 1 3 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.329 -0.209 19646
944 1 3 . 1 1 37 37 GLU CA C 37 56.295 56.295 55.787 0.508 19646
945 1 3 . 1 1 37 37 GLU CB C 37 30.252 30.252 29.906 0.346 19646
946 1 3 . 1 1 37 37 GLU H H 37 8.490 8.490 8.295 0.195 19646
947 1 3 . 1 1 39 39 MET HA H 39 4.588 4.588 4.415 0.173 19646
948 1 3 . 1 1 39 39 MET CA C 39 54.180 54.180 55.923 -1.743 19646
949 1 3 . 1 1 39 39 MET CB C 39 31.754 31.754 33.300 -1.546 19646
950 1 3 . 1 1 40 40 SER N N 40 118.194 118.194 118.530 -0.336 19646
951 1 3 . 1 1 40 40 SER HA H 40 4.288 4.288 4.327 -0.039 19646
952 1 3 . 1 1 40 40 SER CA C 40 58.207 58.207 59.325 -1.118 19646
953 1 3 . 1 1 40 40 SER CB C 40 63.324 63.324 61.568 1.756 19646
954 1 3 . 1 1 40 40 SER H H 40 8.374 8.374 8.619 -0.245 19646
955 1 3 . 1 1 41 41 MET HA H 41 4.677 4.677 4.335 0.342 19646
956 1 3 . 1 1 41 41 MET CA C 41 54.482 54.482 56.189 -1.707 19646
957 1 3 . 1 1 42 42 GLY N N 42 111.120 111.120 106.275 4.845 19646
958 1 3 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.949 0.474 19646
959 1 3 . 1 1 42 42 GLY H H 42 8.035 8.035 8.502 -0.467 19646
960 1 3 . 1 1 43 43 CYS N N 43 126.270 126.270 118.378 7.892 19646
961 1 3 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.229 0.327 19646
962 1 3 . 1 1 43 43 CYS CB C 43 38.600 38.600 25.728 12.872 19646
963 1 3 . 1 1 43 43 CYS H H 43 8.463 8.463 8.338 0.125 19646
964 1 3 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.434 -0.216 19646
965 1 3 . 1 1 44 44 VAL CA C 44 62.334 62.334 60.143 2.191 19646
966 1 3 . 1 1 44 44 VAL CB C 44 34.050 34.050 34.059 -0.009 19646
967 1 3 . 1 1 45 45 SER N N 45 126.084 126.084 118.000 8.084 19646
968 1 3 . 1 1 45 45 SER HA H 45 4.528 4.528 4.844 -0.316 19646
969 1 3 . 1 1 45 45 SER CA C 45 59.211 59.211 58.888 0.323 19646
970 1 3 . 1 1 45 45 SER CB C 45 64.191 64.191 63.665 0.526 19646
971 1 3 . 1 1 45 45 SER H H 45 8.484 8.484 8.359 0.125 19646
972 1 3 . 1 1 46 46 GLY N N 46 107.758 107.758 112.028 -4.270 19646
973 1 3 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.278 0.480 19646
974 1 3 . 1 1 46 46 GLY H H 46 8.516 8.516 7.851 0.665 19646
975 1 3 . 1 1 47 47 CYS N N 47 120.532 120.532 117.233 3.299 19646
976 1 3 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.770 -0.543 19646
977 1 3 . 1 1 47 47 CYS CA C 47 54.413 54.413 55.857 -1.444 19646
978 1 3 . 1 1 47 47 CYS CB C 47 41.276 41.276 29.486 11.790 19646
979 1 3 . 1 1 47 47 CYS H H 47 8.554 8.554 8.529 0.025 19646
980 1 3 . 1 1 48 48 LEU N N 48 125.794 125.794 120.559 5.235 19646
981 1 3 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.764 -0.078 19646
982 1 3 . 1 1 48 48 LEU CA C 48 53.774 53.774 53.451 0.323 19646
983 1 3 . 1 1 48 48 LEU CB C 48 45.572 45.572 46.804 -1.232 19646
984 1 3 . 1 1 48 48 LEU H H 48 9.410 9.410 8.768 0.642 19646
985 1 3 . 1 1 49 49 CYS N N 49 119.162 119.162 118.425 0.737 19646
986 1 3 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.910 -0.388 19646
987 1 3 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.467 -3.377 19646
988 1 3 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.034 9.599 19646
989 1 3 . 1 1 49 49 CYS H H 49 9.188 9.188 8.583 0.605 19646
990 1 3 . 1 1 52 52 GLY CA C 52 44.936 44.936 44.638 0.298 19646
991 1 3 . 1 1 53 53 MET N N 53 118.736 118.736 118.253 0.483 19646
992 1 3 . 1 1 53 53 MET HA H 53 5.043 5.043 5.141 -0.098 19646
993 1 3 . 1 1 53 53 MET CA C 53 54.425 54.425 54.709 -0.284 19646
994 1 3 . 1 1 53 53 MET CB C 53 37.090 37.090 37.306 -0.216 19646
995 1 3 . 1 1 53 53 MET H H 53 8.297 8.297 7.770 0.527 19646
996 1 3 . 1 1 54 54 VAL N N 54 113.319 113.319 113.468 -0.149 19646
997 1 3 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.818 -0.242 19646
998 1 3 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.517 -0.638 19646
999 1 3 . 1 1 54 54 VAL CB C 54 35.361 35.361 35.529 -0.168 19646
1000 1 3 . 1 1 54 54 VAL H H 54 9.126 9.126 8.580 0.546 19646
1001 1 3 . 1 1 55 55 ARG N N 55 122.532 122.532 124.509 -1.977 19646
1002 1 3 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.494 0.486 19646
1003 1 3 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.243 -0.641 19646
1004 1 3 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.557 0.730 19646
1005 1 3 . 1 1 55 55 ARG H H 55 8.490 8.490 8.757 -0.267 19646
1006 1 3 . 1 1 56 56 HIS N N 56 126.203 126.203 126.435 -0.232 19646
1007 1 3 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.886 -0.028 19646
1008 1 3 . 1 1 56 56 HIS CA C 56 56.971 56.971 55.367 1.604 19646
1009 1 3 . 1 1 56 56 HIS CB C 56 34.758 34.758 33.653 1.105 19646
1010 1 3 . 1 1 56 56 HIS H H 56 9.100 9.100 9.426 -0.326 19646
1011 1 3 . 1 1 57 57 GLU N N 57 125.530 125.530 128.685 -3.155 19646
1012 1 3 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.842 -0.279 19646
1013 1 3 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.438 0.238 19646
1014 1 3 . 1 1 57 57 GLU CB C 57 26.921 26.921 28.181 -1.260 19646
1015 1 3 . 1 1 57 57 GLU H H 57 8.953 8.953 9.232 -0.279 19646
1016 1 3 . 1 1 58 58 ASN N N 58 114.182 114.182 109.196 4.986 19646
1017 1 3 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.354 0.053 19646
1018 1 3 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.346 -0.373 19646
1019 1 3 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.307 0.767 19646
1020 1 3 . 1 1 58 58 ASN H H 58 8.687 8.687 8.558 0.129 19646
1021 1 3 . 1 1 59 59 ARG N N 59 118.232 118.232 118.390 -0.158 19646
1022 1 3 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.654 0.096 19646
1023 1 3 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.993 -0.439 19646
1024 1 3 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.744 -0.420 19646
1025 1 3 . 1 1 59 59 ARG H H 59 8.027 8.027 8.236 -0.209 19646
1026 1 3 . 1 1 60 60 CYS N N 60 117.965 117.965 121.770 -3.805 19646
1027 1 3 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.635 -0.158 19646
1028 1 3 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.127 -4.146 19646
1029 1 3 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.619 14.357 19646
1030 1 3 . 1 1 60 60 CYS H H 60 8.703 8.703 8.656 0.047 19646
1031 1 3 . 1 1 61 61 VAL N N 61 119.418 119.418 120.363 -0.945 19646
1032 1 3 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.582 0.043 19646
1033 1 3 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.131 -0.135 19646
1034 1 3 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.029 1.333 19646
1035 1 3 . 1 1 61 61 VAL H H 61 9.671 9.671 8.814 0.857 19646
1036 1 3 . 1 1 62 62 ALA N N 62 125.768 125.768 123.958 1.810 19646
1037 1 3 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.468 -0.112 19646
1038 1 3 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.422 0.996 19646
1039 1 3 . 1 1 62 62 ALA CB C 62 18.618 18.618 20.379 -1.761 19646
1040 1 3 . 1 1 62 62 ALA H H 62 8.552 8.552 8.321 0.231 19646
1041 1 3 . 1 1 63 63 LEU N N 63 123.359 123.359 123.495 -0.136 19646
1042 1 3 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.779 0.003 19646
1043 1 3 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.075 0.106 19646
1044 1 3 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.739 1.672 19646
1045 1 3 . 1 1 63 63 LEU H H 63 7.979 7.979 8.963 -0.984 19646
1046 1 3 . 1 1 64 64 GLU N N 64 113.695 113.695 114.692 -0.997 19646
1047 1 3 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.974 0.051 19646
1048 1 3 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.492 0.010 19646
1049 1 3 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.490 -0.223 19646
1050 1 3 . 1 1 64 64 GLU H H 64 8.950 8.950 8.665 0.285 19646
1051 1 3 . 1 1 65 65 ARG N N 65 118.469 118.469 117.219 1.250 19646
1052 1 3 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.434 -0.189 19646
1053 1 3 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.678 -1.124 19646
1054 1 3 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.821 -1.663 19646
1055 1 3 . 1 1 65 65 ARG H H 65 8.153 8.153 7.815 0.338 19646
1056 1 3 . 1 1 66 66 CYS N N 66 119.490 119.490 120.885 -1.395 19646
1057 1 3 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.205 0.019 19646
1058 1 3 . 1 1 66 66 CYS CA C 66 55.125 55.125 59.139 -4.014 19646
1059 1 3 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.493 10.705 19646
1060 1 3 . 1 1 66 66 CYS H H 66 7.601 7.601 7.715 -0.114 19646
1061 1 3 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.189 0.248 19646
1062 1 3 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.122 0.336 19646
1063 1 3 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.302 1.366 19646
1064 1 3 . 1 1 68 68 CYS N N 68 112.961 112.961 115.520 -2.559 19646
1065 1 3 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.683 -0.355 19646
1066 1 3 . 1 1 68 68 CYS CA C 68 56.386 56.386 56.135 0.251 19646
1067 1 3 . 1 1 68 68 CYS CB C 68 42.435 42.435 29.849 12.586 19646
1068 1 3 . 1 1 68 68 CYS H H 68 8.424 8.424 8.063 0.361 19646
1069 1 3 . 1 1 69 69 PHE N N 69 118.787 118.787 117.934 0.853 19646
1070 1 3 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.024 -0.193 19646
1071 1 3 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.444 -0.320 19646
1072 1 3 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.867 -0.316 19646
1073 1 3 . 1 1 69 69 PHE H H 69 8.799 8.799 8.862 -0.063 19646
1074 1 3 . 1 1 70 70 HIS N N 70 123.887 123.887 123.381 0.506 19646
1075 1 3 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.863 0.105 19646
1076 1 3 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.662 2.093 19646
1077 1 3 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.078 1.750 19646
1078 1 3 . 1 1 70 70 HIS H H 70 9.441 9.441 9.863 -0.422 19646
1079 1 3 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.827 -0.094 19646
1080 1 3 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.205 0.307 19646
1081 1 3 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.476 -0.744 19646
1082 1 3 . 1 1 72 72 GLY N N 72 104.219 104.219 101.472 2.747 19646
1083 1 3 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.474 0.012 19646
1084 1 3 . 1 1 72 72 GLY H H 72 8.665 8.665 8.592 0.073 19646
1085 1 3 . 1 1 73 73 LYS N N 73 122.208 122.208 122.034 0.174 19646
1086 1 3 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.590 0.080 19646
1087 1 3 . 1 1 73 73 LYS CA C 73 54.931 54.931 54.776 0.154 19646
1088 1 3 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.317 0.807 19646
1089 1 3 . 1 1 73 73 LYS H H 73 7.951 7.951 7.762 0.189 19646
1090 1 3 . 1 1 74 74 GLU N N 74 122.599 122.599 123.348 -0.749 19646
1091 1 3 . 1 1 74 74 GLU HA H 74 4.322 4.322 4.885 -0.563 19646
1092 1 3 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.582 0.032 19646
1093 1 3 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.021 0.776 19646
1094 1 3 . 1 1 74 74 GLU H H 74 8.216 8.216 8.628 -0.412 19646
1095 1 3 . 1 1 75 75 TYR N N 75 124.173 124.173 125.307 -1.134 19646
1096 1 3 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.733 -0.302 19646
1097 1 3 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.750 0.481 19646
1098 1 3 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.921 -0.047 19646
1099 1 3 . 1 1 75 75 TYR H H 75 8.937 8.937 9.098 -0.161 19646
1100 1 3 . 1 1 76 76 ALA N N 76 124.606 124.606 121.100 3.506 19646
1101 1 3 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.617 -0.260 19646
1102 1 3 . 1 1 76 76 ALA CA C 76 49.933 49.933 48.932 1.001 19646
1103 1 3 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.875 -2.068 19646
1104 1 3 . 1 1 76 76 ALA H H 76 8.676 8.676 8.575 0.101 19646
1105 1 3 . 1 1 77 77 PRO HA H 77 3.854 3.854 3.840 0.014 19646
1106 1 3 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.762 0.122 19646
1107 1 3 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.084 0.083 19646
1108 1 3 . 1 1 78 78 GLY N N 78 113.317 113.317 112.946 0.371 19646
1109 1 3 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.861 0.105 19646
1110 1 3 . 1 1 78 78 GLY H H 78 9.487 9.487 8.525 0.962 19646
1111 1 3 . 1 1 79 79 GLU N N 79 120.804 120.804 121.716 -0.912 19646
1112 1 3 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.500 -0.014 19646
1113 1 3 . 1 1 79 79 GLU CA C 79 57.610 57.610 56.162 1.448 19646
1114 1 3 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.630 -0.369 19646
1115 1 3 . 1 1 79 79 GLU H H 79 8.254 8.254 7.748 0.506 19646
1116 1 3 . 1 1 80 80 THR N N 80 110.916 110.916 116.105 -5.189 19646
1117 1 3 . 1 1 80 80 THR HA H 80 5.752 5.752 5.628 0.124 19646
1118 1 3 . 1 1 80 80 THR CA C 80 59.984 59.984 59.347 0.637 19646
1119 1 3 . 1 1 80 80 THR CB C 80 72.217 72.217 70.873 1.344 19646
1120 1 3 . 1 1 80 80 THR H H 80 8.132 8.132 8.308 -0.176 19646
1121 1 3 . 1 1 81 81 VAL N N 81 117.320 117.320 117.952 -0.632 19646
1122 1 3 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.513 -0.309 19646
1123 1 3 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.801 -0.113 19646
1124 1 3 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.161 0.321 19646
1125 1 3 . 1 1 81 81 VAL H H 81 8.459 8.459 9.018 -0.559 19646
1126 1 3 . 1 1 82 82 LYS N N 82 123.511 123.511 124.325 -0.814 19646
1127 1 3 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.488 0.323 19646
1128 1 3 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.827 -0.972 19646
1129 1 3 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.047 0.250 19646
1130 1 3 . 1 1 82 82 LYS H H 82 8.017 8.017 8.381 -0.364 19646
1131 1 3 . 1 1 83 83 ILE N N 83 125.653 125.653 126.801 -1.148 19646
1132 1 3 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.307 -0.312 19646
1133 1 3 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.276 0.582 19646
1134 1 3 . 1 1 83 83 ILE CB C 83 38.347 38.347 39.744 -1.397 19646
1135 1 3 . 1 1 83 83 ILE H H 83 8.039 8.039 9.156 -1.117 19646
1136 1 3 . 1 1 84 84 GLY CA C 84 47.357 47.357 45.483 1.874 19646
1137 1 3 . 1 1 85 85 CYS N N 85 122.743 122.743 118.668 4.075 19646
1138 1 3 . 1 1 85 85 CYS HA H 85 4.929 4.929 3.864 1.065 19646
1139 1 3 . 1 1 85 85 CYS CA C 85 58.558 58.558 60.455 -1.897 19646
1140 1 3 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.796 11.175 19646
1141 1 3 . 1 1 85 85 CYS H H 85 8.522 8.522 8.608 -0.086 19646
1142 1 3 . 1 1 86 86 ASN N N 86 121.768 121.768 120.867 0.901 19646
1143 1 3 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.225 -0.302 19646
1144 1 3 . 1 1 86 86 ASN CA C 86 53.858 53.858 53.042 0.816 19646
1145 1 3 . 1 1 86 86 ASN CB C 86 41.629 41.629 39.710 1.919 19646
1146 1 3 . 1 1 86 86 ASN H H 86 8.165 8.165 8.197 -0.032 19646
1147 1 3 . 1 1 87 87 THR N N 87 115.576 115.576 121.687 -6.111 19646
1148 1 3 . 1 1 87 87 THR HA H 87 4.613 4.613 5.122 -0.509 19646
1149 1 3 . 1 1 87 87 THR CA C 87 62.341 62.341 61.129 1.212 19646
1150 1 3 . 1 1 87 87 THR CB C 87 70.460 70.460 70.535 -0.075 19646
1151 1 3 . 1 1 87 87 THR H H 87 8.250 8.250 8.390 -0.140 19646
1152 1 3 . 1 1 88 88 CYS N N 88 124.212 124.212 124.760 -0.548 19646
1153 1 3 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.423 0.121 19646
1154 1 3 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.725 -2.858 19646
1155 1 3 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.794 18.665 19646
1156 1 3 . 1 1 88 88 CYS H H 88 9.054 9.054 9.053 0.001 19646
1157 1 3 . 1 1 89 89 VAL N N 89 122.162 122.162 122.104 0.058 19646
1158 1 3 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.290 -0.244 19646
1159 1 3 . 1 1 89 89 VAL CA C 89 59.590 59.590 60.063 -0.473 19646
1160 1 3 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.609 -1.414 19646
1161 1 3 . 1 1 89 89 VAL H H 89 8.888 8.888 8.283 0.605 19646
1162 1 3 . 1 1 90 90 CYS N N 90 128.312 128.312 127.864 0.448 19646
1163 1 3 . 1 1 90 90 CYS HA H 90 4.170 4.170 4.078 0.092 19646
1164 1 3 . 1 1 90 90 CYS CA C 90 54.727 54.727 58.521 -3.794 19646
1165 1 3 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.128 12.787 19646
1166 1 3 . 1 1 90 90 CYS H H 90 8.382 8.382 8.449 -0.067 19646
1167 1 3 . 1 1 91 91 ARG N N 91 132.067 132.067 125.987 6.080 19646
1168 1 3 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.500 -0.191 19646
1169 1 3 . 1 1 91 91 ARG CA C 91 56.304 56.304 54.779 1.524 19646
1170 1 3 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.343 -0.460 19646
1171 1 3 . 1 1 91 91 ARG H H 91 9.051 9.051 9.014 0.037 19646
1172 1 3 . 1 1 92 92 ASP N N 92 128.437 128.437 125.611 2.826 19646
1173 1 3 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.319 -0.115 19646
1174 1 3 . 1 1 92 92 ASP CA C 92 55.745 55.745 54.847 0.898 19646
1175 1 3 . 1 1 92 92 ASP CB C 92 39.142 39.142 40.023 -0.881 19646
1176 1 3 . 1 1 92 92 ASP H H 92 9.328 9.328 8.831 0.497 19646
1177 1 3 . 1 1 93 93 ARG N N 93 108.225 108.225 110.835 -2.610 19646
1178 1 3 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.671 -0.398 19646
1179 1 3 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.925 0.476 19646
1180 1 3 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.175 0.386 19646
1181 1 3 . 1 1 93 93 ARG H H 93 8.607 8.607 8.494 0.113 19646
1182 1 3 . 1 1 94 94 LYS N N 94 121.587 121.587 117.296 4.291 19646
1183 1 3 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.526 -0.002 19646
1184 1 3 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.401 -0.526 19646
1185 1 3 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.217 -0.111 19646
1186 1 3 . 1 1 94 94 LYS H H 94 7.712 7.712 7.013 0.699 19646
1187 1 3 . 1 1 95 95 TRP N N 95 120.035 120.035 121.405 -1.370 19646
1188 1 3 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.013 -0.201 19646
1189 1 3 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.042 -1.156 19646
1190 1 3 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.466 -0.209 19646
1191 1 3 . 1 1 95 95 TRP H H 95 8.366 8.366 8.595 -0.229 19646
1192 1 3 . 1 1 96 96 ASN N N 96 125.356 125.356 123.099 2.257 19646
1193 1 3 . 1 1 96 96 ASN HA H 96 5.068 5.068 4.996 0.072 19646
1194 1 3 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.282 0.550 19646
1195 1 3 . 1 1 96 96 ASN CB C 96 39.532 39.532 40.303 -0.770 19646
1196 1 3 . 1 1 96 96 ASN H H 96 9.268 9.268 9.152 0.116 19646
1197 1 3 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.152 0.560 19646
1198 1 3 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.485 -2.677 19646
1199 1 3 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.262 19.641 19646
1200 1 3 . 1 1 98 98 THR N N 98 112.700 112.700 120.561 -7.861 19646
1201 1 3 . 1 1 98 98 THR HA H 98 4.183 4.183 3.998 0.185 19646
1202 1 3 . 1 1 98 98 THR CA C 98 62.852 62.852 65.820 -2.968 19646
1203 1 3 . 1 1 98 98 THR CB C 98 70.176 70.176 68.471 1.705 19646
1204 1 3 . 1 1 98 98 THR H H 98 8.221 8.221 8.878 -0.657 19646
1205 1 3 . 1 1 99 99 ASP N N 99 120.286 120.286 116.913 3.373 19646
1206 1 3 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.461 0.188 19646
1207 1 3 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.360 -2.653 19646
1208 1 3 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.609 1.200 19646
1209 1 3 . 1 1 99 99 ASP H H 99 8.038 8.038 8.496 -0.458 19646
1210 1 3 . 1 1 100 100 HIS N N 100 120.257 120.257 115.243 5.014 19646
1211 1 3 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.479 0.176 19646
1212 1 3 . 1 1 100 100 HIS CA C 100 55.554 55.554 54.742 0.812 19646
1213 1 3 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.700 0.175 19646
1214 1 3 . 1 1 100 100 HIS H H 100 8.654 8.654 7.839 0.815 19646
1215 1 3 . 1 1 101 101 VAL N N 101 123.478 123.478 121.549 1.929 19646
1216 1 3 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.949 0.033 19646
1217 1 3 . 1 1 101 101 VAL CA C 101 62.929 62.929 63.220 -0.291 19646
1218 1 3 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.187 -0.344 19646
1219 1 3 . 1 1 101 101 VAL H H 101 8.687 8.687 8.582 0.105 19646
1220 1 3 . 1 1 102 102 CYS N N 102 125.981 125.981 123.194 2.787 19646
1221 1 3 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.721 0.123 19646
1222 1 3 . 1 1 102 102 CYS CA C 102 52.964 52.964 57.292 -4.328 19646
1223 1 3 . 1 1 102 102 CYS CB C 102 37.591 37.591 28.562 9.029 19646
1224 1 3 . 1 1 102 102 CYS H H 102 8.700 8.700 8.633 0.067 19646
1225 1 4 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.676 -0.362 19646
1226 1 4 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.263 0.308 19646
1227 1 4 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.333 -0.018 19646
1228 1 4 . 1 1 3 3 MET HA H 3 4.438 4.438 4.054 0.384 19646
1229 1 4 . 1 1 3 3 MET CA C 3 55.752 55.752 55.709 0.043 19646
1230 1 4 . 1 1 3 3 MET CB C 3 32.785 32.785 30.743 2.042 19646
1231 1 4 . 1 1 6 6 CYS N N 6 123.547 123.547 119.230 4.317 19646
1232 1 4 . 1 1 6 6 CYS H H 6 8.184 8.184 8.075 0.109 19646
1233 1 4 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.360 0.205 19646
1234 1 4 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.803 -0.725 19646
1235 1 4 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.136 -0.500 19646
1236 1 4 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.280 0.284 19646
1237 1 4 . 1 1 9 9 PRO CA C 9 64.007 64.007 63.891 0.116 19646
1238 1 4 . 1 1 9 9 PRO CB C 9 33.632 33.632 31.943 1.689 19646
1239 1 4 . 1 1 10 10 MET N N 10 123.176 123.176 121.663 1.513 19646
1240 1 4 . 1 1 10 10 MET HA H 10 4.346 4.346 4.601 -0.255 19646
1241 1 4 . 1 1 10 10 MET CA C 10 57.932 57.932 56.619 1.313 19646
1242 1 4 . 1 1 10 10 MET CB C 10 33.859 33.859 34.621 -0.762 19646
1243 1 4 . 1 1 10 10 MET H H 10 8.759 8.759 8.451 0.308 19646
1244 1 4 . 1 1 11 11 VAL N N 11 116.266 116.266 119.640 -3.374 19646
1245 1 4 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.284 0.017 19646
1246 1 4 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.339 -1.607 19646
1247 1 4 . 1 1 11 11 VAL CB C 11 35.145 35.145 33.500 1.645 19646
1248 1 4 . 1 1 11 11 VAL H H 11 8.855 8.855 8.008 0.847 19646
1249 1 4 . 1 1 12 12 LYS N N 12 125.383 125.383 128.268 -2.885 19646
1250 1 4 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.676 -0.305 19646
1251 1 4 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.963 0.752 19646
1252 1 4 . 1 1 12 12 LYS CB C 12 33.170 33.170 32.595 0.575 19646
1253 1 4 . 1 1 12 12 LYS H H 12 8.448 8.448 8.638 -0.190 19646
1254 1 4 . 1 1 13 13 LEU N N 13 132.136 132.136 123.797 8.339 19646
1255 1 4 . 1 1 13 13 LEU HA H 13 4.549 4.549 5.069 -0.520 19646
1256 1 4 . 1 1 13 13 LEU CA C 13 54.112 54.112 53.797 0.315 19646
1257 1 4 . 1 1 13 13 LEU CB C 13 43.288 43.288 43.710 -0.422 19646
1258 1 4 . 1 1 13 13 LEU H H 13 9.145 9.145 8.528 0.617 19646
1259 1 4 . 1 1 14 14 VAL N N 14 127.590 127.590 116.913 10.677 19646
1260 1 4 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.442 -0.293 19646
1261 1 4 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.938 1.194 19646
1262 1 4 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.757 -2.392 19646
1263 1 4 . 1 1 14 14 VAL H H 14 8.578 8.578 8.227 0.351 19646
1264 1 4 . 1 1 15 15 CYS N N 15 129.201 129.201 122.123 7.078 19646
1265 1 4 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.904 -0.613 19646
1266 1 4 . 1 1 15 15 CYS CA C 15 56.014 56.014 55.029 0.985 19646
1267 1 4 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.296 13.786 19646
1268 1 4 . 1 1 15 15 CYS H H 15 8.643 8.643 8.532 0.111 19646
1269 1 4 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.313 0.184 19646
1270 1 4 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.285 -0.935 19646
1271 1 4 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.406 -0.255 19646
1272 1 4 . 1 1 17 17 ALA N N 17 124.507 124.507 121.245 3.262 19646
1273 1 4 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.085 0.035 19646
1274 1 4 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.157 -0.740 19646
1275 1 4 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.630 0.252 19646
1276 1 4 . 1 1 17 17 ALA H H 17 8.553 8.553 8.280 0.273 19646
1277 1 4 . 1 1 18 18 ASP N N 18 114.322 114.322 116.110 -1.788 19646
1278 1 4 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.682 -0.177 19646
1279 1 4 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.868 -0.214 19646
1280 1 4 . 1 1 18 18 ASP CB C 18 40.387 40.387 41.077 -0.690 19646
1281 1 4 . 1 1 18 18 ASP H H 18 8.116 8.116 8.239 -0.123 19646
1282 1 4 . 1 1 19 19 ASN N N 19 115.834 115.834 114.203 1.631 19646
1283 1 4 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.522 0.134 19646
1284 1 4 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.611 -0.381 19646
1285 1 4 . 1 1 19 19 ASN CB C 19 38.076 38.076 36.954 1.122 19646
1286 1 4 . 1 1 19 19 ASN H H 19 7.669 7.669 8.174 -0.505 19646
1287 1 4 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.671 -0.384 19646
1288 1 4 . 1 1 20 20 LEU CA C 20 55.807 55.807 54.864 0.943 19646
1289 1 4 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.823 -0.065 19646
1290 1 4 . 1 1 21 21 ARG N N 21 117.867 117.867 120.872 -3.005 19646
1291 1 4 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.395 -0.092 19646
1292 1 4 . 1 1 21 21 ARG CA C 21 55.632 55.632 56.200 -0.568 19646
1293 1 4 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.323 -0.591 19646
1294 1 4 . 1 1 21 21 ARG H H 21 7.897 7.897 7.689 0.208 19646
1295 1 4 . 1 1 22 22 ALA N N 22 123.746 123.746 123.524 0.222 19646
1296 1 4 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.212 0.003 19646
1297 1 4 . 1 1 22 22 ALA CA C 22 52.261 52.261 52.591 -0.330 19646
1298 1 4 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.082 1.384 19646
1299 1 4 . 1 1 22 22 ALA H H 22 7.345 7.345 8.451 -1.106 19646
1300 1 4 . 1 1 23 23 GLU N N 23 119.157 119.157 114.464 4.693 19646
1301 1 4 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.006 0.536 19646
1302 1 4 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.796 -0.252 19646
1303 1 4 . 1 1 23 23 GLU H H 23 8.061 8.061 8.594 -0.533 19646
1304 1 4 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.298 0.017 19646
1305 1 4 . 1 1 25 25 LEU CA C 25 55.313 55.313 54.994 0.319 19646
1306 1 4 . 1 1 25 25 LEU CB C 25 42.152 42.152 40.164 1.988 19646
1307 1 4 . 1 1 26 26 GLU N N 26 121.770 121.770 121.804 -0.034 19646
1308 1 4 . 1 1 26 26 GLU H H 26 8.165 8.165 8.505 -0.340 19646
1309 1 4 . 1 1 28 28 THR CB C 28 70.366 70.366 69.541 0.825 19646
1310 1 4 . 1 1 29 29 LYS N N 29 128.269 128.269 120.163 8.106 19646
1311 1 4 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.624 0.435 19646
1312 1 4 . 1 1 29 29 LYS CA C 29 54.874 54.874 56.446 -1.572 19646
1313 1 4 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.279 1.319 19646
1314 1 4 . 1 1 29 29 LYS H H 29 8.762 8.762 8.371 0.391 19646
1315 1 4 . 1 1 30 30 THR N N 30 116.019 116.019 117.822 -1.803 19646
1316 1 4 . 1 1 30 30 THR HA H 30 5.450 5.450 4.653 0.797 19646
1317 1 4 . 1 1 30 30 THR CA C 30 58.958 58.958 61.850 -2.892 19646
1318 1 4 . 1 1 30 30 THR CB C 30 72.724 72.724 72.401 0.323 19646
1319 1 4 . 1 1 30 30 THR H H 30 9.410 9.410 7.908 1.502 19646
1320 1 4 . 1 1 31 31 CYS N N 31 115.821 115.821 121.181 -5.360 19646
1321 1 4 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.294 0.082 19646
1322 1 4 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.351 -3.871 19646
1323 1 4 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.333 9.983 19646
1324 1 4 . 1 1 31 31 CYS H H 31 8.587 8.587 9.414 -0.827 19646
1325 1 4 . 1 1 32 32 GLN N N 32 115.926 115.926 116.432 -0.506 19646
1326 1 4 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.283 -0.156 19646
1327 1 4 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.663 0.439 19646
1328 1 4 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.736 0.605 19646
1329 1 4 . 1 1 32 32 GLN H H 32 8.303 8.303 8.453 -0.150 19646
1330 1 4 . 1 1 33 33 ASN N N 33 117.107 117.107 116.510 0.597 19646
1331 1 4 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.921 -0.161 19646
1332 1 4 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.885 -0.958 19646
1333 1 4 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.449 -0.124 19646
1334 1 4 . 1 1 33 33 ASN H H 33 7.925 7.925 7.714 0.211 19646
1335 1 4 . 1 1 34 34 TYR N N 34 120.190 120.190 121.573 -1.383 19646
1336 1 4 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.207 -0.322 19646
1337 1 4 . 1 1 34 34 TYR CA C 34 63.779 63.779 60.968 2.811 19646
1338 1 4 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.448 0.630 19646
1339 1 4 . 1 1 34 34 TYR H H 34 7.310 7.310 8.583 -1.273 19646
1340 1 4 . 1 1 35 35 ASP N N 35 113.579 113.579 117.096 -3.517 19646
1341 1 4 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.386 0.121 19646
1342 1 4 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.364 0.118 19646
1343 1 4 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.590 -0.512 19646
1344 1 4 . 1 1 35 35 ASP H H 35 8.291 8.291 8.496 -0.205 19646
1345 1 4 . 1 1 36 36 LEU N N 36 120.878 120.878 120.486 0.392 19646
1346 1 4 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.544 -0.138 19646
1347 1 4 . 1 1 36 36 LEU CA C 36 53.959 53.959 53.530 0.429 19646
1348 1 4 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.136 -1.567 19646
1349 1 4 . 1 1 36 36 LEU H H 36 7.787 7.787 7.529 0.258 19646
1350 1 4 . 1 1 37 37 GLU N N 37 122.509 122.509 121.815 0.694 19646
1351 1 4 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.116 0.004 19646
1352 1 4 . 1 1 37 37 GLU CA C 37 56.295 56.295 57.676 -1.381 19646
1353 1 4 . 1 1 37 37 GLU CB C 37 30.252 30.252 29.408 0.844 19646
1354 1 4 . 1 1 37 37 GLU H H 37 8.490 8.490 8.454 0.036 19646
1355 1 4 . 1 1 39 39 MET HA H 39 4.588 4.588 4.243 0.345 19646
1356 1 4 . 1 1 39 39 MET CA C 39 54.180 54.180 57.521 -3.341 19646
1357 1 4 . 1 1 39 39 MET CB C 39 31.754 31.754 32.684 -0.929 19646
1358 1 4 . 1 1 40 40 SER N N 40 118.194 118.194 115.056 3.138 19646
1359 1 4 . 1 1 40 40 SER HA H 40 4.288 4.288 4.551 -0.263 19646
1360 1 4 . 1 1 40 40 SER CA C 40 58.207 58.207 57.313 0.894 19646
1361 1 4 . 1 1 40 40 SER CB C 40 63.324 63.324 63.279 0.045 19646
1362 1 4 . 1 1 40 40 SER H H 40 8.374 8.374 7.879 0.495 19646
1363 1 4 . 1 1 41 41 MET HA H 41 4.677 4.677 4.540 0.137 19646
1364 1 4 . 1 1 41 41 MET CA C 41 54.482 54.482 55.053 -0.571 19646
1365 1 4 . 1 1 42 42 GLY N N 42 111.120 111.120 110.805 0.315 19646
1366 1 4 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.614 0.809 19646
1367 1 4 . 1 1 42 42 GLY H H 42 8.035 8.035 8.383 -0.348 19646
1368 1 4 . 1 1 43 43 CYS N N 43 126.270 126.270 120.454 5.816 19646
1369 1 4 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.663 -0.107 19646
1370 1 4 . 1 1 43 43 CYS CB C 43 38.600 38.600 25.688 12.912 19646
1371 1 4 . 1 1 43 43 CYS H H 43 8.463 8.463 8.403 0.060 19646
1372 1 4 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.254 -0.036 19646
1373 1 4 . 1 1 44 44 VAL CA C 44 62.334 62.334 61.321 1.013 19646
1374 1 4 . 1 1 44 44 VAL CB C 44 34.050 34.050 35.064 -1.014 19646
1375 1 4 . 1 1 45 45 SER N N 45 126.084 126.084 122.193 3.891 19646
1376 1 4 . 1 1 45 45 SER HA H 45 4.528 4.528 4.636 -0.108 19646
1377 1 4 . 1 1 45 45 SER CA C 45 59.211 59.211 58.949 0.262 19646
1378 1 4 . 1 1 45 45 SER CB C 45 64.191 64.191 64.188 0.004 19646
1379 1 4 . 1 1 45 45 SER H H 45 8.484 8.484 8.544 -0.060 19646
1380 1 4 . 1 1 46 46 GLY N N 46 107.758 107.758 110.549 -2.791 19646
1381 1 4 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.294 0.464 19646
1382 1 4 . 1 1 46 46 GLY H H 46 8.516 8.516 8.253 0.263 19646
1383 1 4 . 1 1 47 47 CYS N N 47 120.532 120.532 119.999 0.533 19646
1384 1 4 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.578 -0.351 19646
1385 1 4 . 1 1 47 47 CYS CA C 47 54.413 54.413 57.331 -2.918 19646
1386 1 4 . 1 1 47 47 CYS CB C 47 41.276 41.276 26.682 14.594 19646
1387 1 4 . 1 1 47 47 CYS H H 47 8.554 8.554 8.445 0.109 19646
1388 1 4 . 1 1 48 48 LEU N N 48 125.794 125.794 123.408 2.386 19646
1389 1 4 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.806 -0.120 19646
1390 1 4 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.683 1.091 19646
1391 1 4 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.363 0.209 19646
1392 1 4 . 1 1 48 48 LEU H H 48 9.410 9.410 8.033 1.377 19646
1393 1 4 . 1 1 49 49 CYS N N 49 119.162 119.162 117.720 1.442 19646
1394 1 4 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.692 -0.170 19646
1395 1 4 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.573 -3.483 19646
1396 1 4 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.227 9.406 19646
1397 1 4 . 1 1 49 49 CYS H H 49 9.188 9.188 8.491 0.697 19646
1398 1 4 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.477 -0.541 19646
1399 1 4 . 1 1 53 53 MET N N 53 118.736 118.736 118.649 0.087 19646
1400 1 4 . 1 1 53 53 MET HA H 53 5.043 5.043 5.176 -0.133 19646
1401 1 4 . 1 1 53 53 MET CA C 53 54.425 54.425 54.580 -0.155 19646
1402 1 4 . 1 1 53 53 MET CB C 53 37.090 37.090 36.444 0.646 19646
1403 1 4 . 1 1 53 53 MET H H 53 8.297 8.297 7.199 1.098 19646
1404 1 4 . 1 1 54 54 VAL N N 54 113.319 113.319 115.413 -2.094 19646
1405 1 4 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.632 -0.056 19646
1406 1 4 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.592 -0.713 19646
1407 1 4 . 1 1 54 54 VAL CB C 54 35.361 35.361 35.435 -0.074 19646
1408 1 4 . 1 1 54 54 VAL H H 54 9.126 9.126 8.911 0.215 19646
1409 1 4 . 1 1 55 55 ARG N N 55 122.532 122.532 124.230 -1.698 19646
1410 1 4 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.599 0.381 19646
1411 1 4 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.136 -0.534 19646
1412 1 4 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.546 0.741 19646
1413 1 4 . 1 1 55 55 ARG H H 55 8.490 8.490 8.565 -0.075 19646
1414 1 4 . 1 1 56 56 HIS N N 56 126.203 126.203 124.787 1.416 19646
1415 1 4 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.862 -0.004 19646
1416 1 4 . 1 1 56 56 HIS CA C 56 56.971 56.971 55.009 1.962 19646
1417 1 4 . 1 1 56 56 HIS CB C 56 34.758 34.758 33.126 1.632 19646
1418 1 4 . 1 1 56 56 HIS H H 56 9.100 9.100 9.326 -0.226 19646
1419 1 4 . 1 1 57 57 GLU N N 57 125.530 125.530 127.110 -1.580 19646
1420 1 4 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.822 -0.259 19646
1421 1 4 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.496 0.180 19646
1422 1 4 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.821 -0.900 19646
1423 1 4 . 1 1 57 57 GLU H H 57 8.953 8.953 9.371 -0.418 19646
1424 1 4 . 1 1 58 58 ASN N N 58 114.182 114.182 109.621 4.561 19646
1425 1 4 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.418 -0.011 19646
1426 1 4 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.282 -0.309 19646
1427 1 4 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.761 0.313 19646
1428 1 4 . 1 1 58 58 ASN H H 58 8.687 8.687 8.481 0.206 19646
1429 1 4 . 1 1 59 59 ARG N N 59 118.232 118.232 118.570 -0.338 19646
1430 1 4 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.731 0.019 19646
1431 1 4 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.598 -0.044 19646
1432 1 4 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.568 -0.244 19646
1433 1 4 . 1 1 59 59 ARG H H 59 8.027 8.027 8.140 -0.113 19646
1434 1 4 . 1 1 60 60 CYS N N 60 117.965 117.965 121.737 -3.772 19646
1435 1 4 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.520 -0.043 19646
1436 1 4 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.235 -4.255 19646
1437 1 4 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.820 14.156 19646
1438 1 4 . 1 1 60 60 CYS H H 60 8.703 8.703 8.789 -0.086 19646
1439 1 4 . 1 1 61 61 VAL N N 61 119.418 119.418 119.142 0.276 19646
1440 1 4 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.607 0.018 19646
1441 1 4 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.824 -0.828 19646
1442 1 4 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.386 0.976 19646
1443 1 4 . 1 1 61 61 VAL H H 61 9.671 9.671 8.829 0.842 19646
1444 1 4 . 1 1 62 62 ALA N N 62 125.768 125.768 123.419 2.349 19646
1445 1 4 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.738 -0.382 19646
1446 1 4 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.567 0.851 19646
1447 1 4 . 1 1 62 62 ALA CB C 62 18.618 18.618 20.088 -1.470 19646
1448 1 4 . 1 1 62 62 ALA H H 62 8.552 8.552 8.430 0.122 19646
1449 1 4 . 1 1 63 63 LEU N N 63 123.359 123.359 122.697 0.662 19646
1450 1 4 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.886 -0.104 19646
1451 1 4 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.465 -0.283 19646
1452 1 4 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.783 1.628 19646
1453 1 4 . 1 1 63 63 LEU H H 63 7.979 7.979 8.513 -0.534 19646
1454 1 4 . 1 1 64 64 GLU N N 64 113.695 113.695 114.716 -1.021 19646
1455 1 4 . 1 1 64 64 GLU HA H 64 4.025 4.025 4.057 -0.032 19646
1456 1 4 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.490 0.012 19646
1457 1 4 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.561 -0.294 19646
1458 1 4 . 1 1 64 64 GLU H H 64 8.950 8.950 8.761 0.189 19646
1459 1 4 . 1 1 65 65 ARG N N 65 118.469 118.469 117.221 1.248 19646
1460 1 4 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.456 -0.211 19646
1461 1 4 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.626 -1.072 19646
1462 1 4 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.909 -1.751 19646
1463 1 4 . 1 1 65 65 ARG H H 65 8.153 8.153 7.972 0.181 19646
1464 1 4 . 1 1 66 66 CYS N N 66 119.490 119.490 121.438 -1.948 19646
1465 1 4 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.331 -0.107 19646
1466 1 4 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.592 -2.467 19646
1467 1 4 . 1 1 66 66 CYS CB C 66 37.198 37.198 27.052 10.146 19646
1468 1 4 . 1 1 66 66 CYS H H 66 7.601 7.601 7.479 0.122 19646
1469 1 4 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.244 0.193 19646
1470 1 4 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.155 0.303 19646
1471 1 4 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.202 1.466 19646
1472 1 4 . 1 1 68 68 CYS N N 68 112.961 112.961 114.851 -1.890 19646
1473 1 4 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.621 -0.293 19646
1474 1 4 . 1 1 68 68 CYS CA C 68 56.386 56.386 56.149 0.237 19646
1475 1 4 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.065 12.370 19646
1476 1 4 . 1 1 68 68 CYS H H 68 8.424 8.424 8.282 0.142 19646
1477 1 4 . 1 1 69 69 PHE N N 69 118.787 118.787 118.354 0.433 19646
1478 1 4 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.057 -0.226 19646
1479 1 4 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.209 -0.085 19646
1480 1 4 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.372 0.179 19646
1481 1 4 . 1 1 69 69 PHE H H 69 8.799 8.799 8.876 -0.077 19646
1482 1 4 . 1 1 70 70 HIS N N 70 123.887 123.887 123.515 0.372 19646
1483 1 4 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.891 0.077 19646
1484 1 4 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.617 2.139 19646
1485 1 4 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.281 1.548 19646
1486 1 4 . 1 1 70 70 HIS H H 70 9.441 9.441 9.797 -0.356 19646
1487 1 4 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.715 0.018 19646
1488 1 4 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.099 0.413 19646
1489 1 4 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.229 -0.497 19646
1490 1 4 . 1 1 72 72 GLY N N 72 104.219 104.219 102.281 1.938 19646
1491 1 4 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.398 0.088 19646
1492 1 4 . 1 1 72 72 GLY H H 72 8.665 8.665 8.635 0.030 19646
1493 1 4 . 1 1 73 73 LYS N N 73 122.208 122.208 121.992 0.216 19646
1494 1 4 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.590 0.080 19646
1495 1 4 . 1 1 73 73 LYS CA C 73 54.931 54.931 54.731 0.200 19646
1496 1 4 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.382 0.742 19646
1497 1 4 . 1 1 73 73 LYS H H 73 7.951 7.951 7.762 0.189 19646
1498 1 4 . 1 1 74 74 GLU N N 74 122.599 122.599 122.893 -0.294 19646
1499 1 4 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.138 -0.816 19646
1500 1 4 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.472 0.142 19646
1501 1 4 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.288 0.509 19646
1502 1 4 . 1 1 74 74 GLU H H 74 8.216 8.216 8.576 -0.360 19646
1503 1 4 . 1 1 75 75 TYR N N 75 124.173 124.173 125.256 -1.083 19646
1504 1 4 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.796 -0.365 19646
1505 1 4 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.799 0.432 19646
1506 1 4 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.968 -0.094 19646
1507 1 4 . 1 1 75 75 TYR H H 75 8.937 8.937 9.359 -0.422 19646
1508 1 4 . 1 1 76 76 ALA N N 76 124.606 124.606 121.123 3.483 19646
1509 1 4 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.649 -0.292 19646
1510 1 4 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.151 0.782 19646
1511 1 4 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.508 -1.701 19646
1512 1 4 . 1 1 76 76 ALA H H 76 8.676 8.676 8.576 0.100 19646
1513 1 4 . 1 1 77 77 PRO HA H 77 3.854 3.854 3.879 -0.025 19646
1514 1 4 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.694 0.190 19646
1515 1 4 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.288 -0.121 19646
1516 1 4 . 1 1 78 78 GLY N N 78 113.317 113.317 112.662 0.655 19646
1517 1 4 . 1 1 78 78 GLY CA C 78 44.966 44.966 45.128 -0.162 19646
1518 1 4 . 1 1 78 78 GLY H H 78 9.487 9.487 8.493 0.994 19646
1519 1 4 . 1 1 79 79 GLU N N 79 120.804 120.804 121.312 -0.508 19646
1520 1 4 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.499 -0.013 19646
1521 1 4 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.664 1.946 19646
1522 1 4 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.014 0.247 19646
1523 1 4 . 1 1 79 79 GLU H H 79 8.254 8.254 7.590 0.664 19646
1524 1 4 . 1 1 80 80 THR N N 80 110.916 110.916 115.838 -4.922 19646
1525 1 4 . 1 1 80 80 THR HA H 80 5.752 5.752 5.554 0.198 19646
1526 1 4 . 1 1 80 80 THR CA C 80 59.984 59.984 59.304 0.680 19646
1527 1 4 . 1 1 80 80 THR CB C 80 72.217 72.217 70.802 1.415 19646
1528 1 4 . 1 1 80 80 THR H H 80 8.132 8.132 8.318 -0.186 19646
1529 1 4 . 1 1 81 81 VAL N N 81 117.320 117.320 118.116 -0.796 19646
1530 1 4 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.417 -0.213 19646
1531 1 4 . 1 1 81 81 VAL CA C 81 59.688 59.688 60.068 -0.380 19646
1532 1 4 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.665 -0.183 19646
1533 1 4 . 1 1 81 81 VAL H H 81 8.459 8.459 8.985 -0.526 19646
1534 1 4 . 1 1 82 82 LYS N N 82 123.511 123.511 124.892 -1.381 19646
1535 1 4 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.799 0.012 19646
1536 1 4 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.903 -1.048 19646
1537 1 4 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.151 0.146 19646
1538 1 4 . 1 1 82 82 LYS H H 82 8.017 8.017 8.353 -0.336 19646
1539 1 4 . 1 1 83 83 ILE N N 83 125.653 125.653 125.904 -0.251 19646
1540 1 4 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.291 -0.296 19646
1541 1 4 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.290 0.568 19646
1542 1 4 . 1 1 83 83 ILE CB C 83 38.347 38.347 41.535 -3.188 19646
1543 1 4 . 1 1 83 83 ILE H H 83 8.039 8.039 9.219 -1.180 19646
1544 1 4 . 1 1 84 84 GLY CA C 84 47.357 47.357 45.705 1.652 19646
1545 1 4 . 1 1 85 85 CYS N N 85 122.743 122.743 114.172 8.571 19646
1546 1 4 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.041 0.888 19646
1547 1 4 . 1 1 85 85 CYS CA C 85 58.558 58.558 58.812 -0.255 19646
1548 1 4 . 1 1 85 85 CYS CB C 85 37.971 37.971 24.959 13.012 19646
1549 1 4 . 1 1 85 85 CYS H H 85 8.522 8.522 8.449 0.073 19646
1550 1 4 . 1 1 86 86 ASN N N 86 121.768 121.768 117.675 4.093 19646
1551 1 4 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.650 -0.727 19646
1552 1 4 . 1 1 86 86 ASN CA C 86 53.858 53.858 52.306 1.552 19646
1553 1 4 . 1 1 86 86 ASN CB C 86 41.629 41.629 42.746 -1.117 19646
1554 1 4 . 1 1 86 86 ASN H H 86 8.165 8.165 8.176 -0.011 19646
1555 1 4 . 1 1 87 87 THR N N 87 115.576 115.576 115.600 -0.024 19646
1556 1 4 . 1 1 87 87 THR HA H 87 4.613 4.613 5.373 -0.760 19646
1557 1 4 . 1 1 87 87 THR CA C 87 62.341 62.341 60.497 1.844 19646
1558 1 4 . 1 1 87 87 THR CB C 87 70.460 70.460 70.542 -0.082 19646
1559 1 4 . 1 1 87 87 THR H H 87 8.250 8.250 8.441 -0.191 19646
1560 1 4 . 1 1 88 88 CYS N N 88 124.212 124.212 123.660 0.552 19646
1561 1 4 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.462 0.082 19646
1562 1 4 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.212 -2.345 19646
1563 1 4 . 1 1 88 88 CYS CB C 88 50.459 50.459 32.104 18.355 19646
1564 1 4 . 1 1 88 88 CYS H H 88 9.054 9.054 9.101 -0.047 19646
1565 1 4 . 1 1 89 89 VAL N N 89 122.162 122.162 119.287 2.875 19646
1566 1 4 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.279 -0.233 19646
1567 1 4 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.991 -0.401 19646
1568 1 4 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.352 -1.157 19646
1569 1 4 . 1 1 89 89 VAL H H 89 8.888 8.888 8.155 0.733 19646
1570 1 4 . 1 1 90 90 CYS N N 90 128.312 128.312 128.058 0.254 19646
1571 1 4 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.867 0.303 19646
1572 1 4 . 1 1 90 90 CYS CA C 90 54.727 54.727 58.904 -4.177 19646
1573 1 4 . 1 1 90 90 CYS CB C 90 36.915 36.915 23.870 13.045 19646
1574 1 4 . 1 1 90 90 CYS H H 90 8.382 8.382 8.382 -0.000 19646
1575 1 4 . 1 1 91 91 ARG N N 91 132.067 132.067 125.634 6.433 19646
1576 1 4 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.511 -0.202 19646
1577 1 4 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.519 0.785 19646
1578 1 4 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.572 -0.689 19646
1579 1 4 . 1 1 91 91 ARG H H 91 9.051 9.051 9.052 -0.001 19646
1580 1 4 . 1 1 92 92 ASP N N 92 128.437 128.437 127.453 0.984 19646
1581 1 4 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.337 -0.133 19646
1582 1 4 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.299 0.446 19646
1583 1 4 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.227 -0.085 19646
1584 1 4 . 1 1 92 92 ASP H H 92 9.328 9.328 9.046 0.282 19646
1585 1 4 . 1 1 93 93 ARG N N 93 108.225 108.225 110.334 -2.109 19646
1586 1 4 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.661 -0.387 19646
1587 1 4 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.977 0.424 19646
1588 1 4 . 1 1 93 93 ARG CB C 93 28.561 28.561 29.237 -0.676 19646
1589 1 4 . 1 1 93 93 ARG H H 93 8.607 8.607 8.539 0.068 19646
1590 1 4 . 1 1 94 94 LYS N N 94 121.587 121.587 117.276 4.311 19646
1591 1 4 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.527 -0.003 19646
1592 1 4 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.502 -0.627 19646
1593 1 4 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.192 -0.086 19646
1594 1 4 . 1 1 94 94 LYS H H 94 7.712 7.712 7.338 0.374 19646
1595 1 4 . 1 1 95 95 TRP N N 95 120.035 120.035 121.223 -1.188 19646
1596 1 4 . 1 1 95 95 TRP HA H 95 4.812 4.812 4.920 -0.108 19646
1597 1 4 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.106 -1.220 19646
1598 1 4 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.448 -0.192 19646
1599 1 4 . 1 1 95 95 TRP H H 95 8.366 8.366 8.576 -0.210 19646
1600 1 4 . 1 1 96 96 ASN N N 96 125.356 125.356 123.559 1.797 19646
1601 1 4 . 1 1 96 96 ASN HA H 96 5.068 5.068 4.990 0.078 19646
1602 1 4 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.161 0.671 19646
1603 1 4 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.601 -0.069 19646
1604 1 4 . 1 1 96 96 ASN H H 96 9.268 9.268 8.840 0.428 19646
1605 1 4 . 1 1 97 97 CYS HA H 97 5.712 5.712 4.909 0.803 19646
1606 1 4 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.995 -3.187 19646
1607 1 4 . 1 1 97 97 CYS CB C 97 47.903 47.903 27.343 20.561 19646
1608 1 4 . 1 1 98 98 THR N N 98 112.700 112.700 118.854 -6.154 19646
1609 1 4 . 1 1 98 98 THR HA H 98 4.183 4.183 3.994 0.190 19646
1610 1 4 . 1 1 98 98 THR CA C 98 62.852 62.852 65.665 -2.813 19646
1611 1 4 . 1 1 98 98 THR CB C 98 70.176 70.176 68.721 1.456 19646
1612 1 4 . 1 1 98 98 THR H H 98 8.221 8.221 8.895 -0.674 19646
1613 1 4 . 1 1 99 99 ASP N N 99 120.286 120.286 115.855 4.431 19646
1614 1 4 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.360 0.289 19646
1615 1 4 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.520 -2.813 19646
1616 1 4 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.498 1.311 19646
1617 1 4 . 1 1 99 99 ASP H H 99 8.038 8.038 8.724 -0.686 19646
1618 1 4 . 1 1 100 100 HIS N N 100 120.257 120.257 112.659 7.598 19646
1619 1 4 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.578 0.077 19646
1620 1 4 . 1 1 100 100 HIS CA C 100 55.554 55.554 55.061 0.493 19646
1621 1 4 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.363 0.512 19646
1622 1 4 . 1 1 100 100 HIS H H 100 8.654 8.654 7.891 0.763 19646
1623 1 4 . 1 1 101 101 VAL N N 101 123.478 123.478 119.137 4.341 19646
1624 1 4 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.847 0.135 19646
1625 1 4 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.977 -0.049 19646
1626 1 4 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.038 -0.195 19646
1627 1 4 . 1 1 101 101 VAL H H 101 8.687 8.687 8.276 0.411 19646
1628 1 4 . 1 1 102 102 CYS N N 102 125.981 125.981 128.112 -2.131 19646
1629 1 4 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.372 0.472 19646
1630 1 4 . 1 1 102 102 CYS CA C 102 52.964 52.964 57.417 -4.454 19646
1631 1 4 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.159 12.432 19646
1632 1 4 . 1 1 102 102 CYS H H 102 8.700 8.700 8.599 0.101 19646
1633 1 5 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.274 0.040 19646
1634 1 5 . 1 1 2 2 ALA CA C 2 52.571 52.571 53.549 -0.978 19646
1635 1 5 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.312 0.003 19646
1636 1 5 . 1 1 3 3 MET HA H 3 4.438 4.438 4.502 -0.064 19646
1637 1 5 . 1 1 3 3 MET CA C 3 55.752 55.752 54.998 0.754 19646
1638 1 5 . 1 1 3 3 MET CB C 3 32.785 32.785 33.262 -0.477 19646
1639 1 5 . 1 1 6 6 CYS N N 6 123.547 123.547 120.201 3.346 19646
1640 1 5 . 1 1 6 6 CYS H H 6 8.184 8.184 7.899 0.285 19646
1641 1 5 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.349 0.216 19646
1642 1 5 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.809 -0.731 19646
1643 1 5 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.258 -0.622 19646
1644 1 5 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.501 0.063 19646
1645 1 5 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.891 1.116 19646
1646 1 5 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.686 0.946 19646
1647 1 5 . 1 1 10 10 MET N N 10 123.176 123.176 120.783 2.393 19646
1648 1 5 . 1 1 10 10 MET HA H 10 4.346 4.346 4.653 -0.307 19646
1649 1 5 . 1 1 10 10 MET CA C 10 57.932 57.932 56.163 1.769 19646
1650 1 5 . 1 1 10 10 MET CB C 10 33.859 33.859 34.726 -0.867 19646
1651 1 5 . 1 1 10 10 MET H H 10 8.759 8.759 8.606 0.153 19646
1652 1 5 . 1 1 11 11 VAL N N 11 116.266 116.266 120.787 -4.521 19646
1653 1 5 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.368 -0.067 19646
1654 1 5 . 1 1 11 11 VAL CA C 11 59.732 59.732 60.467 -0.735 19646
1655 1 5 . 1 1 11 11 VAL CB C 11 35.145 35.145 32.822 2.323 19646
1656 1 5 . 1 1 11 11 VAL H H 11 8.855 8.855 7.864 0.991 19646
1657 1 5 . 1 1 12 12 LYS N N 12 125.383 125.383 127.114 -1.731 19646
1658 1 5 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.992 -0.621 19646
1659 1 5 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.558 1.157 19646
1660 1 5 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.198 -0.028 19646
1661 1 5 . 1 1 12 12 LYS H H 12 8.448 8.448 8.410 0.038 19646
1662 1 5 . 1 1 13 13 LEU N N 13 132.136 132.136 121.423 10.713 19646
1663 1 5 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.846 -0.297 19646
1664 1 5 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.545 -0.433 19646
1665 1 5 . 1 1 13 13 LEU CB C 13 43.288 43.288 44.100 -0.812 19646
1666 1 5 . 1 1 13 13 LEU H H 13 9.145 9.145 8.680 0.465 19646
1667 1 5 . 1 1 14 14 VAL N N 14 127.590 127.590 119.539 8.051 19646
1668 1 5 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.473 -0.324 19646
1669 1 5 . 1 1 14 14 VAL CA C 14 61.132 61.132 60.392 0.740 19646
1670 1 5 . 1 1 14 14 VAL CB C 14 32.365 32.365 32.623 -0.258 19646
1671 1 5 . 1 1 14 14 VAL H H 14 8.578 8.578 7.954 0.624 19646
1672 1 5 . 1 1 15 15 CYS N N 15 129.201 129.201 127.330 1.871 19646
1673 1 5 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.342 -0.051 19646
1674 1 5 . 1 1 15 15 CYS CA C 15 56.014 56.014 58.723 -2.709 19646
1675 1 5 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.400 13.682 19646
1676 1 5 . 1 1 15 15 CYS H H 15 8.643 8.643 8.796 -0.153 19646
1677 1 5 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.290 0.207 19646
1678 1 5 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.304 -0.955 19646
1679 1 5 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.229 -0.078 19646
1680 1 5 . 1 1 17 17 ALA N N 17 124.507 124.507 121.743 2.764 19646
1681 1 5 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.073 0.047 19646
1682 1 5 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.261 -0.844 19646
1683 1 5 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.690 0.192 19646
1684 1 5 . 1 1 17 17 ALA H H 17 8.553 8.553 8.331 0.222 19646
1685 1 5 . 1 1 18 18 ASP N N 18 114.322 114.322 116.067 -1.745 19646
1686 1 5 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.782 -0.277 19646
1687 1 5 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.523 0.131 19646
1688 1 5 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.421 -0.034 19646
1689 1 5 . 1 1 18 18 ASP H H 18 8.116 8.116 8.140 -0.024 19646
1690 1 5 . 1 1 19 19 ASN N N 19 115.834 115.834 116.206 -0.372 19646
1691 1 5 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.361 0.295 19646
1692 1 5 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.294 -0.064 19646
1693 1 5 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.908 0.168 19646
1694 1 5 . 1 1 19 19 ASN H H 19 7.669 7.669 7.233 0.436 19646
1695 1 5 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.067 0.220 19646
1696 1 5 . 1 1 20 20 LEU CA C 20 55.807 55.807 57.322 -1.515 19646
1697 1 5 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.708 0.050 19646
1698 1 5 . 1 1 21 21 ARG N N 21 117.867 117.867 118.926 -1.059 19646
1699 1 5 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.041 0.262 19646
1700 1 5 . 1 1 21 21 ARG CA C 21 55.632 55.632 58.423 -2.791 19646
1701 1 5 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.230 -0.498 19646
1702 1 5 . 1 1 21 21 ARG H H 21 7.897 7.897 8.373 -0.476 19646
1703 1 5 . 1 1 22 22 ALA N N 22 123.746 123.746 117.452 6.294 19646
1704 1 5 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.462 -0.247 19646
1705 1 5 . 1 1 22 22 ALA CA C 22 52.261 52.261 50.678 1.583 19646
1706 1 5 . 1 1 22 22 ALA CB C 22 20.466 20.466 20.269 0.197 19646
1707 1 5 . 1 1 22 22 ALA H H 22 7.345 7.345 7.786 -0.441 19646
1708 1 5 . 1 1 23 23 GLU N N 23 119.157 119.157 116.447 2.710 19646
1709 1 5 . 1 1 23 23 GLU HA H 23 4.542 4.542 3.910 0.632 19646
1710 1 5 . 1 1 23 23 GLU CA C 23 56.544 56.544 57.588 -1.044 19646
1711 1 5 . 1 1 23 23 GLU H H 23 8.061 8.061 9.023 -0.962 19646
1712 1 5 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.328 -0.013 19646
1713 1 5 . 1 1 25 25 LEU CA C 25 55.313 55.313 56.038 -0.725 19646
1714 1 5 . 1 1 25 25 LEU CB C 25 42.152 42.152 43.069 -0.917 19646
1715 1 5 . 1 1 26 26 GLU N N 26 121.770 121.770 116.927 4.843 19646
1716 1 5 . 1 1 26 26 GLU H H 26 8.165 8.165 7.813 0.352 19646
1717 1 5 . 1 1 28 28 THR CB C 28 70.366 70.366 71.098 -0.732 19646
1718 1 5 . 1 1 29 29 LYS N N 29 128.269 128.269 122.348 5.921 19646
1719 1 5 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.442 0.617 19646
1720 1 5 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.914 -1.040 19646
1721 1 5 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.392 1.206 19646
1722 1 5 . 1 1 29 29 LYS H H 29 8.762 8.762 8.495 0.267 19646
1723 1 5 . 1 1 30 30 THR N N 30 116.019 116.019 116.135 -0.116 19646
1724 1 5 . 1 1 30 30 THR HA H 30 5.450 5.450 4.729 0.721 19646
1725 1 5 . 1 1 30 30 THR CA C 30 58.958 58.958 61.546 -2.588 19646
1726 1 5 . 1 1 30 30 THR CB C 30 72.724 72.724 72.375 0.349 19646
1727 1 5 . 1 1 30 30 THR H H 30 9.410 9.410 7.832 1.578 19646
1728 1 5 . 1 1 31 31 CYS N N 31 115.821 115.821 120.434 -4.613 19646
1729 1 5 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.391 -0.015 19646
1730 1 5 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.028 -3.548 19646
1731 1 5 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.165 10.152 19646
1732 1 5 . 1 1 31 31 CYS H H 31 8.587 8.587 9.398 -0.811 19646
1733 1 5 . 1 1 32 32 GLN N N 32 115.926 115.926 116.217 -0.291 19646
1734 1 5 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.301 -0.174 19646
1735 1 5 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.715 0.387 19646
1736 1 5 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.861 0.480 19646
1737 1 5 . 1 1 32 32 GLN H H 32 8.303 8.303 8.497 -0.194 19646
1738 1 5 . 1 1 33 33 ASN N N 33 117.107 117.107 116.002 1.105 19646
1739 1 5 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.790 -0.030 19646
1740 1 5 . 1 1 33 33 ASN CA C 33 51.927 51.927 53.125 -1.198 19646
1741 1 5 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.384 -0.059 19646
1742 1 5 . 1 1 33 33 ASN H H 33 7.925 7.925 7.595 0.330 19646
1743 1 5 . 1 1 34 34 TYR N N 34 120.190 120.190 121.026 -0.836 19646
1744 1 5 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.146 -0.261 19646
1745 1 5 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.315 2.464 19646
1746 1 5 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.902 0.176 19646
1747 1 5 . 1 1 34 34 TYR H H 34 7.310 7.310 8.417 -1.107 19646
1748 1 5 . 1 1 35 35 ASP N N 35 113.579 113.579 115.846 -2.267 19646
1749 1 5 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.718 -0.211 19646
1750 1 5 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.380 0.102 19646
1751 1 5 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.054 0.024 19646
1752 1 5 . 1 1 35 35 ASP H H 35 8.291 8.291 8.687 -0.396 19646
1753 1 5 . 1 1 36 36 LEU N N 36 120.878 120.878 120.646 0.232 19646
1754 1 5 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.607 -0.201 19646
1755 1 5 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.855 1.104 19646
1756 1 5 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.059 -1.490 19646
1757 1 5 . 1 1 36 36 LEU H H 36 7.787 7.787 7.186 0.601 19646
1758 1 5 . 1 1 37 37 GLU N N 37 122.509 122.509 120.597 1.912 19646
1759 1 5 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.172 -0.052 19646
1760 1 5 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.925 -0.631 19646
1761 1 5 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.495 -0.243 19646
1762 1 5 . 1 1 37 37 GLU H H 37 8.490 8.490 8.414 0.076 19646
1763 1 5 . 1 1 39 39 MET HA H 39 4.588 4.588 4.581 0.007 19646
1764 1 5 . 1 1 39 39 MET CA C 39 54.180 54.180 55.003 -0.823 19646
1765 1 5 . 1 1 39 39 MET CB C 39 31.754 31.754 34.251 -2.497 19646
1766 1 5 . 1 1 40 40 SER N N 40 118.194 118.194 119.093 -0.899 19646
1767 1 5 . 1 1 40 40 SER HA H 40 4.288 4.288 4.292 -0.004 19646
1768 1 5 . 1 1 40 40 SER CA C 40 58.207 58.207 59.307 -1.100 19646
1769 1 5 . 1 1 40 40 SER CB C 40 63.324 63.324 61.858 1.466 19646
1770 1 5 . 1 1 40 40 SER H H 40 8.374 8.374 8.773 -0.399 19646
1771 1 5 . 1 1 41 41 MET HA H 41 4.677 4.677 4.331 0.346 19646
1772 1 5 . 1 1 41 41 MET CA C 41 54.482 54.482 55.737 -1.255 19646
1773 1 5 . 1 1 42 42 GLY N N 42 111.120 111.120 105.058 6.062 19646
1774 1 5 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.999 0.423 19646
1775 1 5 . 1 1 42 42 GLY H H 42 8.035 8.035 7.696 0.339 19646
1776 1 5 . 1 1 43 43 CYS N N 43 126.270 126.270 126.773 -0.503 19646
1777 1 5 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.545 0.011 19646
1778 1 5 . 1 1 43 43 CYS CB C 43 38.600 38.600 24.623 13.977 19646
1779 1 5 . 1 1 43 43 CYS H H 43 8.463 8.463 8.951 -0.488 19646
1780 1 5 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.365 -0.147 19646
1781 1 5 . 1 1 44 44 VAL CA C 44 62.334 62.334 61.430 0.904 19646
1782 1 5 . 1 1 44 44 VAL CB C 44 34.050 34.050 34.911 -0.861 19646
1783 1 5 . 1 1 45 45 SER N N 45 126.084 126.084 120.945 5.139 19646
1784 1 5 . 1 1 45 45 SER HA H 45 4.528 4.528 4.210 0.318 19646
1785 1 5 . 1 1 45 45 SER CA C 45 59.211 59.211 59.240 -0.029 19646
1786 1 5 . 1 1 45 45 SER CB C 45 64.191 64.191 62.376 1.815 19646
1787 1 5 . 1 1 45 45 SER H H 45 8.484 8.484 8.364 0.120 19646
1788 1 5 . 1 1 46 46 GLY N N 46 107.758 107.758 110.633 -2.875 19646
1789 1 5 . 1 1 46 46 GLY CA C 46 45.758 45.758 44.601 1.157 19646
1790 1 5 . 1 1 46 46 GLY H H 46 8.516 8.516 8.008 0.508 19646
1791 1 5 . 1 1 47 47 CYS N N 47 120.532 120.532 122.938 -2.406 19646
1792 1 5 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.458 -0.231 19646
1793 1 5 . 1 1 47 47 CYS CA C 47 54.413 54.413 57.034 -2.621 19646
1794 1 5 . 1 1 47 47 CYS CB C 47 41.276 41.276 26.186 15.090 19646
1795 1 5 . 1 1 47 47 CYS H H 47 8.554 8.554 8.743 -0.189 19646
1796 1 5 . 1 1 48 48 LEU N N 48 125.794 125.794 122.325 3.469 19646
1797 1 5 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.803 -0.117 19646
1798 1 5 . 1 1 48 48 LEU CA C 48 53.774 53.774 53.061 0.713 19646
1799 1 5 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.170 0.402 19646
1800 1 5 . 1 1 48 48 LEU H H 48 9.410 9.410 8.000 1.410 19646
1801 1 5 . 1 1 49 49 CYS N N 49 119.162 119.162 118.139 1.023 19646
1802 1 5 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.765 -0.243 19646
1803 1 5 . 1 1 49 49 CYS CA C 49 54.090 54.090 58.404 -4.314 19646
1804 1 5 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.587 9.046 19646
1805 1 5 . 1 1 49 49 CYS H H 49 9.188 9.188 8.709 0.479 19646
1806 1 5 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.367 -0.431 19646
1807 1 5 . 1 1 53 53 MET N N 53 118.736 118.736 119.635 -0.899 19646
1808 1 5 . 1 1 53 53 MET HA H 53 5.043 5.043 5.290 -0.247 19646
1809 1 5 . 1 1 53 53 MET CA C 53 54.425 54.425 53.394 1.031 19646
1810 1 5 . 1 1 53 53 MET CB C 53 37.090 37.090 35.833 1.257 19646
1811 1 5 . 1 1 53 53 MET H H 53 8.297 8.297 7.587 0.710 19646
1812 1 5 . 1 1 54 54 VAL N N 54 113.319 113.319 111.927 1.392 19646
1813 1 5 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.812 -0.236 19646
1814 1 5 . 1 1 54 54 VAL CA C 54 58.879 58.879 58.286 0.593 19646
1815 1 5 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.803 0.558 19646
1816 1 5 . 1 1 54 54 VAL H H 54 9.126 9.126 8.217 0.909 19646
1817 1 5 . 1 1 55 55 ARG N N 55 122.532 122.532 118.019 4.513 19646
1818 1 5 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.937 0.043 19646
1819 1 5 . 1 1 55 55 ARG CA C 55 55.602 55.602 55.207 0.395 19646
1820 1 5 . 1 1 55 55 ARG CB C 55 31.287 31.287 31.859 -0.572 19646
1821 1 5 . 1 1 55 55 ARG H H 55 8.490 8.490 8.742 -0.252 19646
1822 1 5 . 1 1 56 56 HIS N N 56 126.203 126.203 123.184 3.019 19646
1823 1 5 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.831 0.027 19646
1824 1 5 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.417 2.554 19646
1825 1 5 . 1 1 56 56 HIS CB C 56 34.758 34.758 33.358 1.399 19646
1826 1 5 . 1 1 56 56 HIS H H 56 9.100 9.100 9.436 -0.336 19646
1827 1 5 . 1 1 57 57 GLU N N 57 125.530 125.530 128.720 -3.190 19646
1828 1 5 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.843 -0.280 19646
1829 1 5 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.330 0.346 19646
1830 1 5 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.927 -1.006 19646
1831 1 5 . 1 1 57 57 GLU H H 57 8.953 8.953 9.327 -0.374 19646
1832 1 5 . 1 1 58 58 ASN N N 58 114.182 114.182 110.460 3.722 19646
1833 1 5 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.272 0.135 19646
1834 1 5 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.200 -0.227 19646
1835 1 5 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.780 0.294 19646
1836 1 5 . 1 1 58 58 ASN H H 58 8.687 8.687 8.569 0.118 19646
1837 1 5 . 1 1 59 59 ARG N N 59 118.232 118.232 118.125 0.107 19646
1838 1 5 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.717 0.033 19646
1839 1 5 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.710 -0.156 19646
1840 1 5 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.732 -0.408 19646
1841 1 5 . 1 1 59 59 ARG H H 59 8.027 8.027 8.169 -0.142 19646
1842 1 5 . 1 1 60 60 CYS N N 60 117.965 117.965 121.674 -3.709 19646
1843 1 5 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.528 -0.051 19646
1844 1 5 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.187 -4.207 19646
1845 1 5 . 1 1 60 60 CYS CB C 60 40.976 40.976 27.386 13.590 19646
1846 1 5 . 1 1 60 60 CYS H H 60 8.703 8.703 8.625 0.078 19646
1847 1 5 . 1 1 61 61 VAL N N 61 119.418 119.418 120.641 -1.223 19646
1848 1 5 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.480 0.145 19646
1849 1 5 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.428 -0.432 19646
1850 1 5 . 1 1 61 61 VAL CB C 61 36.362 36.362 34.870 1.492 19646
1851 1 5 . 1 1 61 61 VAL H H 61 9.671 9.671 8.275 1.396 19646
1852 1 5 . 1 1 62 62 ALA N N 62 125.768 125.768 124.259 1.509 19646
1853 1 5 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.597 -0.241 19646
1854 1 5 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.693 0.725 19646
1855 1 5 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.957 -1.339 19646
1856 1 5 . 1 1 62 62 ALA H H 62 8.552 8.552 8.234 0.318 19646
1857 1 5 . 1 1 63 63 LEU N N 63 123.359 123.359 122.569 0.790 19646
1858 1 5 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.880 -0.098 19646
1859 1 5 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.188 -0.006 19646
1860 1 5 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.884 1.527 19646
1861 1 5 . 1 1 63 63 LEU H H 63 7.979 7.979 8.430 -0.451 19646
1862 1 5 . 1 1 64 64 GLU N N 64 113.695 113.695 113.725 -0.030 19646
1863 1 5 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.949 0.076 19646
1864 1 5 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.570 -0.068 19646
1865 1 5 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.329 -0.062 19646
1866 1 5 . 1 1 64 64 GLU H H 64 8.950 8.950 8.778 0.172 19646
1867 1 5 . 1 1 65 65 ARG N N 65 118.469 118.469 117.001 1.468 19646
1868 1 5 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.487 -0.242 19646
1869 1 5 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.573 -1.019 19646
1870 1 5 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.970 -1.812 19646
1871 1 5 . 1 1 65 65 ARG H H 65 8.153 8.153 7.555 0.598 19646
1872 1 5 . 1 1 66 66 CYS N N 66 119.490 119.490 122.295 -2.805 19646
1873 1 5 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.339 -0.115 19646
1874 1 5 . 1 1 66 66 CYS CA C 66 55.125 55.125 58.812 -3.687 19646
1875 1 5 . 1 1 66 66 CYS CB C 66 37.198 37.198 25.609 11.589 19646
1876 1 5 . 1 1 66 66 CYS H H 66 7.601 7.601 7.896 -0.295 19646
1877 1 5 . 1 1 67 67 PRO HA H 67 4.437 4.437 3.994 0.443 19646
1878 1 5 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.865 -0.407 19646
1879 1 5 . 1 1 67 67 PRO CB C 67 33.668 33.668 31.805 1.863 19646
1880 1 5 . 1 1 68 68 CYS N N 68 112.961 112.961 117.724 -4.763 19646
1881 1 5 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.591 -0.263 19646
1882 1 5 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.770 -1.384 19646
1883 1 5 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.383 12.052 19646
1884 1 5 . 1 1 68 68 CYS H H 68 8.424 8.424 8.311 0.113 19646
1885 1 5 . 1 1 69 69 PHE N N 69 118.787 118.787 118.454 0.333 19646
1886 1 5 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.035 -0.204 19646
1887 1 5 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.358 -0.235 19646
1888 1 5 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.908 -0.357 19646
1889 1 5 . 1 1 69 69 PHE H H 69 8.799 8.799 9.039 -0.240 19646
1890 1 5 . 1 1 70 70 HIS N N 70 123.887 123.887 124.117 -0.230 19646
1891 1 5 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.679 0.289 19646
1892 1 5 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.792 1.963 19646
1893 1 5 . 1 1 70 70 HIS CB C 70 33.828 33.828 30.526 3.303 19646
1894 1 5 . 1 1 70 70 HIS H H 70 9.441 9.441 9.507 -0.066 19646
1895 1 5 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.978 -0.245 19646
1896 1 5 . 1 1 71 71 GLN CA C 71 56.512 56.512 55.665 0.847 19646
1897 1 5 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.765 -1.033 19646
1898 1 5 . 1 1 72 72 GLY N N 72 104.219 104.219 103.520 0.699 19646
1899 1 5 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.376 0.110 19646
1900 1 5 . 1 1 72 72 GLY H H 72 8.665 8.665 8.563 0.102 19646
1901 1 5 . 1 1 73 73 LYS N N 73 122.208 122.208 121.074 1.134 19646
1902 1 5 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.519 0.151 19646
1903 1 5 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.302 -0.371 19646
1904 1 5 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.267 0.857 19646
1905 1 5 . 1 1 73 73 LYS H H 73 7.951 7.951 7.978 -0.027 19646
1906 1 5 . 1 1 74 74 GLU N N 74 122.599 122.599 123.294 -0.695 19646
1907 1 5 . 1 1 74 74 GLU HA H 74 4.322 4.322 4.932 -0.610 19646
1908 1 5 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.260 0.354 19646
1909 1 5 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.052 0.745 19646
1910 1 5 . 1 1 74 74 GLU H H 74 8.216 8.216 8.587 -0.371 19646
1911 1 5 . 1 1 75 75 TYR N N 75 124.173 124.173 124.400 -0.227 19646
1912 1 5 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.926 -0.495 19646
1913 1 5 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.817 0.414 19646
1914 1 5 . 1 1 75 75 TYR CB C 75 41.874 41.874 42.627 -0.753 19646
1915 1 5 . 1 1 75 75 TYR H H 75 8.937 8.937 9.192 -0.255 19646
1916 1 5 . 1 1 76 76 ALA N N 76 124.606 124.606 120.960 3.646 19646
1917 1 5 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.762 -0.405 19646
1918 1 5 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.294 0.639 19646
1919 1 5 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.257 -1.450 19646
1920 1 5 . 1 1 76 76 ALA H H 76 8.676 8.676 10.021 -1.345 19646
1921 1 5 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.088 -0.234 19646
1922 1 5 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.511 0.373 19646
1923 1 5 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.317 -0.150 19646
1924 1 5 . 1 1 78 78 GLY N N 78 113.317 113.317 112.851 0.466 19646
1925 1 5 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.924 0.042 19646
1926 1 5 . 1 1 78 78 GLY H H 78 9.487 9.487 8.668 0.819 19646
1927 1 5 . 1 1 79 79 GLU N N 79 120.804 120.804 121.992 -1.188 19646
1928 1 5 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.466 0.020 19646
1929 1 5 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.876 1.734 19646
1930 1 5 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.134 0.127 19646
1931 1 5 . 1 1 79 79 GLU H H 79 8.254 8.254 7.655 0.599 19646
1932 1 5 . 1 1 80 80 THR N N 80 110.916 110.916 117.149 -6.233 19646
1933 1 5 . 1 1 80 80 THR HA H 80 5.752 5.752 5.506 0.246 19646
1934 1 5 . 1 1 80 80 THR CA C 80 59.984 59.984 60.035 -0.051 19646
1935 1 5 . 1 1 80 80 THR CB C 80 72.217 72.217 70.409 1.808 19646
1936 1 5 . 1 1 80 80 THR H H 80 8.132 8.132 8.362 -0.230 19646
1937 1 5 . 1 1 81 81 VAL N N 81 117.320 117.320 119.028 -1.708 19646
1938 1 5 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.643 -0.439 19646
1939 1 5 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.495 0.193 19646
1940 1 5 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.607 -0.125 19646
1941 1 5 . 1 1 81 81 VAL H H 81 8.459 8.459 8.914 -0.455 19646
1942 1 5 . 1 1 82 82 LYS N N 82 123.511 123.511 123.972 -0.461 19646
1943 1 5 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.517 0.294 19646
1944 1 5 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.643 -0.788 19646
1945 1 5 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.398 -0.101 19646
1946 1 5 . 1 1 82 82 LYS H H 82 8.017 8.017 8.345 -0.328 19646
1947 1 5 . 1 1 83 83 ILE N N 83 125.653 125.653 128.001 -2.348 19646
1948 1 5 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.327 -0.332 19646
1949 1 5 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.152 0.706 19646
1950 1 5 . 1 1 83 83 ILE CB C 83 38.347 38.347 39.280 -0.933 19646
1951 1 5 . 1 1 83 83 ILE H H 83 8.039 8.039 9.074 -1.035 19646
1952 1 5 . 1 1 84 84 GLY CA C 84 47.357 47.357 46.993 0.364 19646
1953 1 5 . 1 1 85 85 CYS N N 85 122.743 122.743 122.229 0.514 19646
1954 1 5 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.934 -0.005 19646
1955 1 5 . 1 1 85 85 CYS CA C 85 58.558 58.558 55.687 2.871 19646
1956 1 5 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.288 11.684 19646
1957 1 5 . 1 1 85 85 CYS H H 85 8.522 8.522 8.478 0.044 19646
1958 1 5 . 1 1 86 86 ASN N N 86 121.768 121.768 118.930 2.838 19646
1959 1 5 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.378 -0.455 19646
1960 1 5 . 1 1 86 86 ASN CA C 86 53.858 53.858 51.721 2.137 19646
1961 1 5 . 1 1 86 86 ASN CB C 86 41.629 41.629 41.261 0.368 19646
1962 1 5 . 1 1 86 86 ASN H H 86 8.165 8.165 7.979 0.186 19646
1963 1 5 . 1 1 87 87 THR N N 87 115.576 115.576 114.200 1.376 19646
1964 1 5 . 1 1 87 87 THR HA H 87 4.613 4.613 5.046 -0.433 19646
1965 1 5 . 1 1 87 87 THR CA C 87 62.341 62.341 61.554 0.787 19646
1966 1 5 . 1 1 87 87 THR CB C 87 70.460 70.460 70.958 -0.498 19646
1967 1 5 . 1 1 87 87 THR H H 87 8.250 8.250 8.226 0.024 19646
1968 1 5 . 1 1 88 88 CYS N N 88 124.212 124.212 124.264 -0.052 19646
1969 1 5 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.512 0.032 19646
1970 1 5 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.524 -2.657 19646
1971 1 5 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.820 18.639 19646
1972 1 5 . 1 1 88 88 CYS H H 88 9.054 9.054 8.924 0.130 19646
1973 1 5 . 1 1 89 89 VAL N N 89 122.162 122.162 122.860 -0.698 19646
1974 1 5 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.334 -0.288 19646
1975 1 5 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.568 0.022 19646
1976 1 5 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.116 -0.921 19646
1977 1 5 . 1 1 89 89 VAL H H 89 8.888 8.888 8.313 0.575 19646
1978 1 5 . 1 1 90 90 CYS N N 90 128.312 128.312 128.485 -0.173 19646
1979 1 5 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.739 0.431 19646
1980 1 5 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.544 -2.817 19646
1981 1 5 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.829 12.086 19646
1982 1 5 . 1 1 90 90 CYS H H 90 8.382 8.382 8.259 0.123 19646
1983 1 5 . 1 1 91 91 ARG N N 91 132.067 132.067 129.754 2.313 19646
1984 1 5 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.543 -0.234 19646
1985 1 5 . 1 1 91 91 ARG CA C 91 56.304 56.304 54.952 1.352 19646
1986 1 5 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.887 -1.004 19646
1987 1 5 . 1 1 91 91 ARG H H 91 9.051 9.051 9.006 0.045 19646
1988 1 5 . 1 1 92 92 ASP N N 92 128.437 128.437 125.607 2.830 19646
1989 1 5 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.238 -0.034 19646
1990 1 5 . 1 1 92 92 ASP CA C 92 55.745 55.745 54.880 0.865 19646
1991 1 5 . 1 1 92 92 ASP CB C 92 39.142 39.142 40.007 -0.865 19646
1992 1 5 . 1 1 92 92 ASP H H 92 9.328 9.328 8.958 0.370 19646
1993 1 5 . 1 1 93 93 ARG N N 93 108.225 108.225 111.711 -3.486 19646
1994 1 5 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.658 -0.384 19646
1995 1 5 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.877 0.524 19646
1996 1 5 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.617 -0.056 19646
1997 1 5 . 1 1 93 93 ARG H H 93 8.607 8.607 8.528 0.079 19646
1998 1 5 . 1 1 94 94 LYS N N 94 121.587 121.587 118.257 3.330 19646
1999 1 5 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.523 0.001 19646
2000 1 5 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.250 -0.375 19646
2001 1 5 . 1 1 94 94 LYS CB C 94 36.106 36.106 35.809 0.296 19646
2002 1 5 . 1 1 94 94 LYS H H 94 7.712 7.712 7.360 0.352 19646
2003 1 5 . 1 1 95 95 TRP N N 95 120.035 120.035 121.815 -1.780 19646
2004 1 5 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.079 -0.267 19646
2005 1 5 . 1 1 95 95 TRP CA C 95 55.886 55.886 56.808 -0.922 19646
2006 1 5 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.875 -0.618 19646
2007 1 5 . 1 1 95 95 TRP H H 95 8.366 8.366 8.579 -0.213 19646
2008 1 5 . 1 1 96 96 ASN N N 96 125.356 125.356 122.739 2.617 19646
2009 1 5 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.057 0.011 19646
2010 1 5 . 1 1 96 96 ASN CA C 96 52.832 52.832 51.975 0.857 19646
2011 1 5 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.418 0.114 19646
2012 1 5 . 1 1 96 96 ASN H H 96 9.268 9.268 8.733 0.535 19646
2013 1 5 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.147 0.565 19646
2014 1 5 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.846 -3.038 19646
2015 1 5 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.082 19.821 19646
2016 1 5 . 1 1 98 98 THR N N 98 112.700 112.700 119.534 -6.834 19646
2017 1 5 . 1 1 98 98 THR HA H 98 4.183 4.183 3.992 0.191 19646
2018 1 5 . 1 1 98 98 THR CA C 98 62.852 62.852 65.871 -3.019 19646
2019 1 5 . 1 1 98 98 THR CB C 98 70.176 70.176 69.165 1.011 19646
2020 1 5 . 1 1 98 98 THR H H 98 8.221 8.221 8.929 -0.708 19646
2021 1 5 . 1 1 99 99 ASP N N 99 120.286 120.286 117.376 2.910 19646
2022 1 5 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.353 0.296 19646
2023 1 5 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.177 -2.470 19646
2024 1 5 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.956 0.853 19646
2025 1 5 . 1 1 99 99 ASP H H 99 8.038 8.038 8.681 -0.643 19646
2026 1 5 . 1 1 100 100 HIS N N 100 120.257 120.257 112.697 7.560 19646
2027 1 5 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.468 0.187 19646
2028 1 5 . 1 1 100 100 HIS CA C 100 55.554 55.554 55.407 0.147 19646
2029 1 5 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.415 0.460 19646
2030 1 5 . 1 1 100 100 HIS H H 100 8.654 8.654 8.120 0.534 19646
2031 1 5 . 1 1 101 101 VAL N N 101 123.478 123.478 118.650 4.828 19646
2032 1 5 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.777 0.205 19646
2033 1 5 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.932 -0.003 19646
2034 1 5 . 1 1 101 101 VAL CB C 101 31.843 31.843 31.470 0.373 19646
2035 1 5 . 1 1 101 101 VAL H H 101 8.687 8.687 8.254 0.433 19646
2036 1 5 . 1 1 102 102 CYS N N 102 125.981 125.981 127.839 -1.858 19646
2037 1 5 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.276 0.568 19646
2038 1 5 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.180 -5.216 19646
2039 1 5 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.239 12.352 19646
2040 1 5 . 1 1 102 102 CYS H H 102 8.700 8.700 8.560 0.140 19646
2041 1 6 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.485 -0.171 19646
2042 1 6 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.330 0.241 19646
2043 1 6 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.687 -0.372 19646
2044 1 6 . 1 1 3 3 MET HA H 3 4.438 4.438 4.522 -0.084 19646
2045 1 6 . 1 1 3 3 MET CA C 3 55.752 55.752 55.604 0.148 19646
2046 1 6 . 1 1 3 3 MET CB C 3 32.785 32.785 35.302 -2.517 19646
2047 1 6 . 1 1 6 6 CYS N N 6 123.547 123.547 116.856 6.691 19646
2048 1 6 . 1 1 6 6 CYS H H 6 8.184 8.184 8.584 -0.400 19646
2049 1 6 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.292 0.273 19646
2050 1 6 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.796 -0.718 19646
2051 1 6 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.189 -0.553 19646
2052 1 6 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.435 0.129 19646
2053 1 6 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.747 1.260 19646
2054 1 6 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.554 1.078 19646
2055 1 6 . 1 1 10 10 MET N N 10 123.176 123.176 119.529 3.647 19646
2056 1 6 . 1 1 10 10 MET HA H 10 4.346 4.346 4.696 -0.350 19646
2057 1 6 . 1 1 10 10 MET CA C 10 57.932 57.932 55.895 2.037 19646
2058 1 6 . 1 1 10 10 MET CB C 10 33.859 33.859 34.021 -0.162 19646
2059 1 6 . 1 1 10 10 MET H H 10 8.759 8.759 8.395 0.364 19646
2060 1 6 . 1 1 11 11 VAL N N 11 116.266 116.266 120.353 -4.087 19646
2061 1 6 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.299 0.002 19646
2062 1 6 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.413 -1.681 19646
2063 1 6 . 1 1 11 11 VAL CB C 11 35.145 35.145 33.397 1.748 19646
2064 1 6 . 1 1 11 11 VAL H H 11 8.855 8.855 8.008 0.847 19646
2065 1 6 . 1 1 12 12 LYS N N 12 125.383 125.383 128.225 -2.842 19646
2066 1 6 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.689 -0.318 19646
2067 1 6 . 1 1 12 12 LYS CA C 12 56.715 56.715 56.080 0.635 19646
2068 1 6 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.409 -0.239 19646
2069 1 6 . 1 1 12 12 LYS H H 12 8.448 8.448 8.509 -0.061 19646
2070 1 6 . 1 1 13 13 LEU N N 13 132.136 132.136 126.132 6.004 19646
2071 1 6 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.887 -0.338 19646
2072 1 6 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.372 -0.260 19646
2073 1 6 . 1 1 13 13 LEU CB C 13 43.288 43.288 44.312 -1.024 19646
2074 1 6 . 1 1 13 13 LEU H H 13 9.145 9.145 8.811 0.334 19646
2075 1 6 . 1 1 14 14 VAL N N 14 127.590 127.590 118.571 9.019 19646
2076 1 6 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.429 -0.280 19646
2077 1 6 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.508 1.624 19646
2078 1 6 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.779 -2.414 19646
2079 1 6 . 1 1 14 14 VAL H H 14 8.578 8.578 8.090 0.488 19646
2080 1 6 . 1 1 15 15 CYS N N 15 129.201 129.201 121.537 7.664 19646
2081 1 6 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.932 -0.641 19646
2082 1 6 . 1 1 15 15 CYS CA C 15 56.014 56.014 56.944 -0.930 19646
2083 1 6 . 1 1 15 15 CYS CB C 15 40.082 40.082 25.601 14.481 19646
2084 1 6 . 1 1 15 15 CYS H H 15 8.643 8.643 8.429 0.214 19646
2085 1 6 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.290 0.207 19646
2086 1 6 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.181 -0.831 19646
2087 1 6 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.423 -0.272 19646
2088 1 6 . 1 1 17 17 ALA N N 17 124.507 124.507 121.208 3.299 19646
2089 1 6 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.065 0.055 19646
2090 1 6 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.109 -0.692 19646
2091 1 6 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.622 0.260 19646
2092 1 6 . 1 1 17 17 ALA H H 17 8.553 8.553 8.192 0.361 19646
2093 1 6 . 1 1 18 18 ASP N N 18 114.322 114.322 116.051 -1.729 19646
2094 1 6 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.665 -0.160 19646
2095 1 6 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.343 0.311 19646
2096 1 6 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.778 -0.391 19646
2097 1 6 . 1 1 18 18 ASP H H 18 8.116 8.116 8.123 -0.007 19646
2098 1 6 . 1 1 19 19 ASN N N 19 115.834 115.834 115.580 0.254 19646
2099 1 6 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.574 0.082 19646
2100 1 6 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.731 -0.501 19646
2101 1 6 . 1 1 19 19 ASN CB C 19 38.076 38.076 36.903 1.173 19646
2102 1 6 . 1 1 19 19 ASN H H 19 7.669 7.669 8.169 -0.500 19646
2103 1 6 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.636 -0.349 19646
2104 1 6 . 1 1 20 20 LEU CA C 20 55.807 55.807 55.045 0.762 19646
2105 1 6 . 1 1 20 20 LEU CB C 20 41.758 41.758 42.172 -0.414 19646
2106 1 6 . 1 1 21 21 ARG N N 21 117.867 117.867 121.032 -3.165 19646
2107 1 6 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.264 0.039 19646
2108 1 6 . 1 1 21 21 ARG CA C 21 55.632 55.632 56.483 -0.851 19646
2109 1 6 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.672 -0.940 19646
2110 1 6 . 1 1 21 21 ARG H H 21 7.897 7.897 7.927 -0.030 19646
2111 1 6 . 1 1 22 22 ALA N N 22 123.746 123.746 123.113 0.633 19646
2112 1 6 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.235 -0.020 19646
2113 1 6 . 1 1 22 22 ALA CA C 22 52.261 52.261 52.674 -0.413 19646
2114 1 6 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.206 1.260 19646
2115 1 6 . 1 1 22 22 ALA H H 22 7.345 7.345 8.068 -0.723 19646
2116 1 6 . 1 1 23 23 GLU N N 23 119.157 119.157 122.492 -3.335 19646
2117 1 6 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.415 0.127 19646
2118 1 6 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.403 0.141 19646
2119 1 6 . 1 1 23 23 GLU H H 23 8.061 8.061 8.205 -0.144 19646
2120 1 6 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.678 -0.363 19646
2121 1 6 . 1 1 25 25 LEU CA C 25 55.313 55.313 53.865 1.448 19646
2122 1 6 . 1 1 25 25 LEU CB C 25 42.152 42.152 43.861 -1.709 19646
2123 1 6 . 1 1 26 26 GLU N N 26 121.770 121.770 120.716 1.054 19646
2124 1 6 . 1 1 26 26 GLU H H 26 8.165 8.165 8.346 -0.181 19646
2125 1 6 . 1 1 28 28 THR CB C 28 70.366 70.366 69.772 0.594 19646
2126 1 6 . 1 1 29 29 LYS N N 29 128.269 128.269 121.998 6.271 19646
2127 1 6 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.626 0.433 19646
2128 1 6 . 1 1 29 29 LYS CA C 29 54.874 54.874 56.129 -1.255 19646
2129 1 6 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.332 1.266 19646
2130 1 6 . 1 1 29 29 LYS H H 29 8.762 8.762 8.442 0.320 19646
2131 1 6 . 1 1 30 30 THR N N 30 116.019 116.019 116.319 -0.300 19646
2132 1 6 . 1 1 30 30 THR HA H 30 5.450 5.450 4.667 0.783 19646
2133 1 6 . 1 1 30 30 THR CA C 30 58.958 58.958 60.092 -1.134 19646
2134 1 6 . 1 1 30 30 THR CB C 30 72.724 72.724 71.394 1.330 19646
2135 1 6 . 1 1 30 30 THR H H 30 9.410 9.410 8.055 1.355 19646
2136 1 6 . 1 1 31 31 CYS N N 31 115.821 115.821 122.413 -6.592 19646
2137 1 6 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.445 -0.069 19646
2138 1 6 . 1 1 31 31 CYS CA C 31 57.480 57.480 59.806 -2.326 19646
2139 1 6 . 1 1 31 31 CYS CB C 31 36.316 36.316 25.548 10.768 19646
2140 1 6 . 1 1 31 31 CYS H H 31 8.587 8.587 9.334 -0.747 19646
2141 1 6 . 1 1 32 32 GLN N N 32 115.926 115.926 116.989 -1.063 19646
2142 1 6 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.253 -0.126 19646
2143 1 6 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.111 0.991 19646
2144 1 6 . 1 1 32 32 GLN CB C 32 29.341 29.341 29.560 -0.219 19646
2145 1 6 . 1 1 32 32 GLN H H 32 8.303 8.303 7.830 0.473 19646
2146 1 6 . 1 1 33 33 ASN N N 33 117.107 117.107 116.452 0.655 19646
2147 1 6 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.913 -0.153 19646
2148 1 6 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.682 -0.755 19646
2149 1 6 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.624 -0.299 19646
2150 1 6 . 1 1 33 33 ASN H H 33 7.925 7.925 7.772 0.153 19646
2151 1 6 . 1 1 34 34 TYR N N 34 120.190 120.190 122.328 -2.138 19646
2152 1 6 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.161 -0.276 19646
2153 1 6 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.844 1.935 19646
2154 1 6 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.397 0.681 19646
2155 1 6 . 1 1 34 34 TYR H H 34 7.310 7.310 8.595 -1.285 19646
2156 1 6 . 1 1 35 35 ASP N N 35 113.579 113.579 116.820 -3.241 19646
2157 1 6 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.383 0.124 19646
2158 1 6 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.364 0.118 19646
2159 1 6 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.522 -0.444 19646
2160 1 6 . 1 1 35 35 ASP H H 35 8.291 8.291 8.537 -0.246 19646
2161 1 6 . 1 1 36 36 LEU N N 36 120.878 120.878 119.822 1.056 19646
2162 1 6 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.581 -0.175 19646
2163 1 6 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.909 1.050 19646
2164 1 6 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.058 -1.489 19646
2165 1 6 . 1 1 36 36 LEU H H 36 7.787 7.787 7.395 0.392 19646
2166 1 6 . 1 1 37 37 GLU N N 37 122.509 122.509 117.686 4.823 19646
2167 1 6 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.091 0.029 19646
2168 1 6 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.785 -0.491 19646
2169 1 6 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.131 0.121 19646
2170 1 6 . 1 1 37 37 GLU H H 37 8.490 8.490 8.331 0.159 19646
2171 1 6 . 1 1 39 39 MET HA H 39 4.588 4.588 4.606 -0.018 19646
2172 1 6 . 1 1 39 39 MET CA C 39 54.180 54.180 55.777 -1.597 19646
2173 1 6 . 1 1 39 39 MET CB C 39 31.754 31.754 33.382 -1.628 19646
2174 1 6 . 1 1 40 40 SER N N 40 118.194 118.194 120.113 -1.919 19646
2175 1 6 . 1 1 40 40 SER HA H 40 4.288 4.288 4.375 -0.087 19646
2176 1 6 . 1 1 40 40 SER CA C 40 58.207 58.207 58.813 -0.606 19646
2177 1 6 . 1 1 40 40 SER CB C 40 63.324 63.324 61.260 2.064 19646
2178 1 6 . 1 1 40 40 SER H H 40 8.374 8.374 8.683 -0.309 19646
2179 1 6 . 1 1 41 41 MET HA H 41 4.677 4.677 4.316 0.361 19646
2180 1 6 . 1 1 41 41 MET CA C 41 54.482 54.482 57.196 -2.714 19646
2181 1 6 . 1 1 42 42 GLY N N 42 111.120 111.120 107.247 3.873 19646
2182 1 6 . 1 1 42 42 GLY CA C 42 45.423 45.423 45.078 0.345 19646
2183 1 6 . 1 1 42 42 GLY H H 42 8.035 8.035 8.428 -0.393 19646
2184 1 6 . 1 1 43 43 CYS N N 43 126.270 126.270 117.536 8.734 19646
2185 1 6 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.170 0.386 19646
2186 1 6 . 1 1 43 43 CYS CB C 43 38.600 38.600 25.094 13.506 19646
2187 1 6 . 1 1 43 43 CYS H H 43 8.463 8.463 8.337 0.126 19646
2188 1 6 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.366 -0.148 19646
2189 1 6 . 1 1 44 44 VAL CA C 44 62.334 62.334 60.989 1.345 19646
2190 1 6 . 1 1 44 44 VAL CB C 44 34.050 34.050 35.822 -1.772 19646
2191 1 6 . 1 1 45 45 SER N N 45 126.084 126.084 119.073 7.011 19646
2192 1 6 . 1 1 45 45 SER HA H 45 4.528 4.528 4.724 -0.196 19646
2193 1 6 . 1 1 45 45 SER CA C 45 59.211 59.211 59.219 -0.008 19646
2194 1 6 . 1 1 45 45 SER CB C 45 64.191 64.191 63.408 0.783 19646
2195 1 6 . 1 1 45 45 SER H H 45 8.484 8.484 8.364 0.120 19646
2196 1 6 . 1 1 46 46 GLY N N 46 107.758 107.758 112.434 -4.676 19646
2197 1 6 . 1 1 46 46 GLY CA C 46 45.758 45.758 44.992 0.766 19646
2198 1 6 . 1 1 46 46 GLY H H 46 8.516 8.516 8.253 0.263 19646
2199 1 6 . 1 1 47 47 CYS N N 47 120.532 120.532 119.105 1.427 19646
2200 1 6 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.715 -0.488 19646
2201 1 6 . 1 1 47 47 CYS CA C 47 54.413 54.413 55.289 -0.876 19646
2202 1 6 . 1 1 47 47 CYS CB C 47 41.276 41.276 27.888 13.388 19646
2203 1 6 . 1 1 47 47 CYS H H 47 8.554 8.554 8.415 0.139 19646
2204 1 6 . 1 1 48 48 LEU N N 48 125.794 125.794 124.061 1.733 19646
2205 1 6 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.765 -0.079 19646
2206 1 6 . 1 1 48 48 LEU CA C 48 53.774 53.774 53.212 0.562 19646
2207 1 6 . 1 1 48 48 LEU CB C 48 45.572 45.572 46.259 -0.687 19646
2208 1 6 . 1 1 48 48 LEU H H 48 9.410 9.410 8.503 0.907 19646
2209 1 6 . 1 1 49 49 CYS N N 49 119.162 119.162 118.352 0.810 19646
2210 1 6 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.741 -0.219 19646
2211 1 6 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.313 -3.224 19646
2212 1 6 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.636 8.997 19646
2213 1 6 . 1 1 49 49 CYS H H 49 9.188 9.188 8.549 0.639 19646
2214 1 6 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.435 -0.499 19646
2215 1 6 . 1 1 53 53 MET N N 53 118.736 118.736 118.979 -0.243 19646
2216 1 6 . 1 1 53 53 MET HA H 53 5.043 5.043 5.187 -0.144 19646
2217 1 6 . 1 1 53 53 MET CA C 53 54.425 54.425 54.801 -0.376 19646
2218 1 6 . 1 1 53 53 MET CB C 53 37.090 37.090 35.947 1.143 19646
2219 1 6 . 1 1 53 53 MET H H 53 8.297 8.297 7.195 1.102 19646
2220 1 6 . 1 1 54 54 VAL N N 54 113.319 113.319 114.854 -1.535 19646
2221 1 6 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.766 -0.190 19646
2222 1 6 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.184 -0.305 19646
2223 1 6 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.934 0.427 19646
2224 1 6 . 1 1 54 54 VAL H H 54 9.126 9.126 9.020 0.106 19646
2225 1 6 . 1 1 55 55 ARG N N 55 122.532 122.532 124.610 -2.078 19646
2226 1 6 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.536 0.444 19646
2227 1 6 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.467 -0.865 19646
2228 1 6 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.395 0.892 19646
2229 1 6 . 1 1 55 55 ARG H H 55 8.490 8.490 8.216 0.274 19646
2230 1 6 . 1 1 56 56 HIS N N 56 126.203 126.203 123.559 2.644 19646
2231 1 6 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.929 -0.071 19646
2232 1 6 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.310 2.661 19646
2233 1 6 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.377 2.381 19646
2234 1 6 . 1 1 56 56 HIS H H 56 9.100 9.100 9.379 -0.279 19646
2235 1 6 . 1 1 57 57 GLU N N 57 125.530 125.530 127.689 -2.159 19646
2236 1 6 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.912 -0.349 19646
2237 1 6 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.524 0.152 19646
2238 1 6 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.637 -0.716 19646
2239 1 6 . 1 1 57 57 GLU H H 57 8.953 8.953 9.377 -0.424 19646
2240 1 6 . 1 1 58 58 ASN N N 58 114.182 114.182 111.107 3.075 19646
2241 1 6 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.435 -0.028 19646
2242 1 6 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.302 -0.329 19646
2243 1 6 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.502 0.572 19646
2244 1 6 . 1 1 58 58 ASN H H 58 8.687 8.687 8.541 0.146 19646
2245 1 6 . 1 1 59 59 ARG N N 59 118.232 118.232 118.928 -0.696 19646
2246 1 6 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.669 0.081 19646
2247 1 6 . 1 1 59 59 ARG CA C 59 54.554 54.554 55.017 -0.463 19646
2248 1 6 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.356 -0.032 19646
2249 1 6 . 1 1 59 59 ARG H H 59 8.027 8.027 8.073 -0.046 19646
2250 1 6 . 1 1 60 60 CYS N N 60 117.965 117.965 122.093 -4.128 19646
2251 1 6 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.327 0.150 19646
2252 1 6 . 1 1 60 60 CYS CA C 60 53.980 53.980 57.506 -3.526 19646
2253 1 6 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.472 14.504 19646
2254 1 6 . 1 1 60 60 CYS H H 60 8.703 8.703 8.785 -0.082 19646
2255 1 6 . 1 1 61 61 VAL N N 61 119.418 119.418 119.339 0.079 19646
2256 1 6 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.589 0.036 19646
2257 1 6 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.867 -0.871 19646
2258 1 6 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.593 0.769 19646
2259 1 6 . 1 1 61 61 VAL H H 61 9.671 9.671 8.797 0.874 19646
2260 1 6 . 1 1 62 62 ALA N N 62 125.768 125.768 123.688 2.080 19646
2261 1 6 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.638 -0.282 19646
2262 1 6 . 1 1 62 62 ALA CA C 62 52.418 52.418 52.230 0.188 19646
2263 1 6 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.649 -1.032 19646
2264 1 6 . 1 1 62 62 ALA H H 62 8.552 8.552 8.493 0.059 19646
2265 1 6 . 1 1 63 63 LEU N N 63 123.359 123.359 124.500 -1.141 19646
2266 1 6 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.939 -0.157 19646
2267 1 6 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.275 -0.093 19646
2268 1 6 . 1 1 63 63 LEU CB C 63 42.411 42.411 42.073 0.338 19646
2269 1 6 . 1 1 63 63 LEU H H 63 7.979 7.979 8.184 -0.205 19646
2270 1 6 . 1 1 64 64 GLU N N 64 113.695 113.695 115.346 -1.651 19646
2271 1 6 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.981 0.044 19646
2272 1 6 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.616 -0.114 19646
2273 1 6 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.760 -0.493 19646
2274 1 6 . 1 1 64 64 GLU H H 64 8.950 8.950 8.816 0.134 19646
2275 1 6 . 1 1 65 65 ARG N N 65 118.469 118.469 118.694 -0.225 19646
2276 1 6 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.398 -0.153 19646
2277 1 6 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.338 -0.784 19646
2278 1 6 . 1 1 65 65 ARG CB C 65 29.158 29.158 31.072 -1.914 19646
2279 1 6 . 1 1 65 65 ARG H H 65 8.153 8.153 7.742 0.411 19646
2280 1 6 . 1 1 66 66 CYS N N 66 119.490 119.490 121.359 -1.869 19646
2281 1 6 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.389 -0.165 19646
2282 1 6 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.469 -2.344 19646
2283 1 6 . 1 1 66 66 CYS CB C 66 37.198 37.198 27.132 10.066 19646
2284 1 6 . 1 1 66 66 CYS H H 66 7.601 7.601 7.706 -0.105 19646
2285 1 6 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.348 0.089 19646
2286 1 6 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.348 0.110 19646
2287 1 6 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.031 1.637 19646
2288 1 6 . 1 1 68 68 CYS N N 68 112.961 112.961 117.022 -4.061 19646
2289 1 6 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.882 -0.554 19646
2290 1 6 . 1 1 68 68 CYS CA C 68 56.386 56.386 56.942 -0.556 19646
2291 1 6 . 1 1 68 68 CYS CB C 68 42.435 42.435 29.684 12.751 19646
2292 1 6 . 1 1 68 68 CYS H H 68 8.424 8.424 8.397 0.027 19646
2293 1 6 . 1 1 69 69 PHE N N 69 118.787 118.787 119.778 -0.991 19646
2294 1 6 . 1 1 69 69 PHE HA H 69 5.831 5.831 5.916 -0.085 19646
2295 1 6 . 1 1 69 69 PHE CA C 69 57.124 57.124 56.517 0.607 19646
2296 1 6 . 1 1 69 69 PHE CB C 69 42.551 42.551 40.907 1.644 19646
2297 1 6 . 1 1 69 69 PHE H H 69 8.799 8.799 9.212 -0.413 19646
2298 1 6 . 1 1 70 70 HIS N N 70 123.887 123.887 124.193 -0.306 19646
2299 1 6 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.850 0.118 19646
2300 1 6 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.983 1.772 19646
2301 1 6 . 1 1 70 70 HIS CB C 70 33.828 33.828 31.901 1.927 19646
2302 1 6 . 1 1 70 70 HIS H H 70 9.441 9.441 9.709 -0.268 19646
2303 1 6 . 1 1 71 71 GLN HA H 71 3.733 3.733 4.055 -0.322 19646
2304 1 6 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.503 0.009 19646
2305 1 6 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.420 -0.688 19646
2306 1 6 . 1 1 72 72 GLY N N 72 104.219 104.219 103.400 0.819 19646
2307 1 6 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.151 0.334 19646
2308 1 6 . 1 1 72 72 GLY H H 72 8.665 8.665 8.570 0.095 19646
2309 1 6 . 1 1 73 73 LYS N N 73 122.208 122.208 121.816 0.392 19646
2310 1 6 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.536 0.134 19646
2311 1 6 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.347 -0.416 19646
2312 1 6 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.215 0.909 19646
2313 1 6 . 1 1 73 73 LYS H H 73 7.951 7.951 7.813 0.138 19646
2314 1 6 . 1 1 74 74 GLU N N 74 122.599 122.599 120.869 1.730 19646
2315 1 6 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.133 -0.811 19646
2316 1 6 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.743 -0.129 19646
2317 1 6 . 1 1 74 74 GLU CB C 74 31.797 31.797 30.761 1.036 19646
2318 1 6 . 1 1 74 74 GLU H H 74 8.216 8.216 8.397 -0.181 19646
2319 1 6 . 1 1 75 75 TYR N N 75 124.173 124.173 122.227 1.946 19646
2320 1 6 . 1 1 75 75 TYR HA H 75 4.431 4.431 5.013 -0.582 19646
2321 1 6 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.492 0.739 19646
2322 1 6 . 1 1 75 75 TYR CB C 75 41.874 41.874 42.706 -0.832 19646
2323 1 6 . 1 1 75 75 TYR H H 75 8.937 8.937 9.513 -0.576 19646
2324 1 6 . 1 1 76 76 ALA N N 76 124.606 124.606 121.111 3.495 19646
2325 1 6 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.828 -0.471 19646
2326 1 6 . 1 1 76 76 ALA CA C 76 49.933 49.933 48.850 1.083 19646
2327 1 6 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.808 -2.001 19646
2328 1 6 . 1 1 76 76 ALA H H 76 8.676 8.676 9.894 -1.218 19646
2329 1 6 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.019 -0.165 19646
2330 1 6 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.575 0.309 19646
2331 1 6 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.199 -0.032 19646
2332 1 6 . 1 1 78 78 GLY N N 78 113.317 113.317 114.487 -1.170 19646
2333 1 6 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.977 -0.011 19646
2334 1 6 . 1 1 78 78 GLY H H 78 9.487 9.487 8.576 0.911 19646
2335 1 6 . 1 1 79 79 GLU N N 79 120.804 120.804 121.706 -0.902 19646
2336 1 6 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.498 -0.012 19646
2337 1 6 . 1 1 79 79 GLU CA C 79 57.610 57.610 56.230 1.380 19646
2338 1 6 . 1 1 79 79 GLU CB C 79 31.261 31.261 30.934 0.327 19646
2339 1 6 . 1 1 79 79 GLU H H 79 8.254 8.254 7.755 0.499 19646
2340 1 6 . 1 1 80 80 THR N N 80 110.916 110.916 117.838 -6.922 19646
2341 1 6 . 1 1 80 80 THR HA H 80 5.752 5.752 5.536 0.216 19646
2342 1 6 . 1 1 80 80 THR CA C 80 59.984 59.984 59.970 0.014 19646
2343 1 6 . 1 1 80 80 THR CB C 80 72.217 72.217 70.457 1.760 19646
2344 1 6 . 1 1 80 80 THR H H 80 8.132 8.132 8.365 -0.233 19646
2345 1 6 . 1 1 81 81 VAL N N 81 117.320 117.320 117.578 -0.258 19646
2346 1 6 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.580 -0.376 19646
2347 1 6 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.570 0.118 19646
2348 1 6 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.084 0.398 19646
2349 1 6 . 1 1 81 81 VAL H H 81 8.459 8.459 9.055 -0.596 19646
2350 1 6 . 1 1 82 82 LYS N N 82 123.511 123.511 124.499 -0.988 19646
2351 1 6 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.536 0.275 19646
2352 1 6 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.527 -0.672 19646
2353 1 6 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.133 0.164 19646
2354 1 6 . 1 1 82 82 LYS H H 82 8.017 8.017 8.388 -0.371 19646
2355 1 6 . 1 1 83 83 ILE N N 83 125.653 125.653 126.457 -0.804 19646
2356 1 6 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.203 -0.208 19646
2357 1 6 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.540 0.318 19646
2358 1 6 . 1 1 83 83 ILE CB C 83 38.347 38.347 40.349 -2.002 19646
2359 1 6 . 1 1 83 83 ILE H H 83 8.039 8.039 9.189 -1.150 19646
2360 1 6 . 1 1 84 84 GLY CA C 84 47.357 47.357 45.783 1.574 19646
2361 1 6 . 1 1 85 85 CYS N N 85 122.743 122.743 114.621 8.122 19646
2362 1 6 . 1 1 85 85 CYS HA H 85 4.929 4.929 3.881 1.048 19646
2363 1 6 . 1 1 85 85 CYS CA C 85 58.558 58.558 59.998 -1.440 19646
2364 1 6 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.276 11.695 19646
2365 1 6 . 1 1 85 85 CYS H H 85 8.522 8.522 8.389 0.133 19646
2366 1 6 . 1 1 86 86 ASN N N 86 121.768 121.768 122.267 -0.499 19646
2367 1 6 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.433 -0.510 19646
2368 1 6 . 1 1 86 86 ASN CA C 86 53.858 53.858 53.021 0.837 19646
2369 1 6 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.477 1.152 19646
2370 1 6 . 1 1 86 86 ASN H H 86 8.165 8.165 8.194 -0.029 19646
2371 1 6 . 1 1 87 87 THR N N 87 115.576 115.576 121.947 -6.371 19646
2372 1 6 . 1 1 87 87 THR HA H 87 4.613 4.613 5.071 -0.458 19646
2373 1 6 . 1 1 87 87 THR CA C 87 62.341 62.341 62.442 -0.101 19646
2374 1 6 . 1 1 87 87 THR CB C 87 70.460 70.460 70.919 -0.459 19646
2375 1 6 . 1 1 87 87 THR H H 87 8.250 8.250 8.607 -0.357 19646
2376 1 6 . 1 1 88 88 CYS N N 88 124.212 124.212 124.861 -0.649 19646
2377 1 6 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.539 0.005 19646
2378 1 6 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.679 -2.812 19646
2379 1 6 . 1 1 88 88 CYS CB C 88 50.459 50.459 32.035 18.424 19646
2380 1 6 . 1 1 88 88 CYS H H 88 9.054 9.054 9.004 0.050 19646
2381 1 6 . 1 1 89 89 VAL N N 89 122.162 122.162 122.251 -0.089 19646
2382 1 6 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.413 -0.367 19646
2383 1 6 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.388 0.202 19646
2384 1 6 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.436 -1.241 19646
2385 1 6 . 1 1 89 89 VAL H H 89 8.888 8.888 8.352 0.536 19646
2386 1 6 . 1 1 90 90 CYS N N 90 128.312 128.312 127.743 0.569 19646
2387 1 6 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.864 0.306 19646
2388 1 6 . 1 1 90 90 CYS CA C 90 54.727 54.727 59.000 -4.273 19646
2389 1 6 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.271 12.644 19646
2390 1 6 . 1 1 90 90 CYS H H 90 8.382 8.382 8.360 0.022 19646
2391 1 6 . 1 1 91 91 ARG N N 91 132.067 132.067 125.820 6.247 19646
2392 1 6 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.562 -0.253 19646
2393 1 6 . 1 1 91 91 ARG CA C 91 56.304 56.304 54.843 1.461 19646
2394 1 6 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.884 -1.001 19646
2395 1 6 . 1 1 91 91 ARG H H 91 9.051 9.051 9.093 -0.042 19646
2396 1 6 . 1 1 92 92 ASP N N 92 128.437 128.437 124.454 3.983 19646
2397 1 6 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.333 -0.129 19646
2398 1 6 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.223 0.522 19646
2399 1 6 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.504 -0.362 19646
2400 1 6 . 1 1 92 92 ASP H H 92 9.328 9.328 8.939 0.389 19646
2401 1 6 . 1 1 93 93 ARG N N 93 108.225 108.225 112.448 -4.223 19646
2402 1 6 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.658 -0.384 19646
2403 1 6 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.851 0.550 19646
2404 1 6 . 1 1 93 93 ARG CB C 93 28.561 28.561 29.900 -1.339 19646
2405 1 6 . 1 1 93 93 ARG H H 93 8.607 8.607 8.516 0.091 19646
2406 1 6 . 1 1 94 94 LYS N N 94 121.587 121.587 118.169 3.418 19646
2407 1 6 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.581 -0.057 19646
2408 1 6 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.572 -0.697 19646
2409 1 6 . 1 1 94 94 LYS CB C 94 36.106 36.106 35.492 0.614 19646
2410 1 6 . 1 1 94 94 LYS H H 94 7.712 7.712 7.411 0.301 19646
2411 1 6 . 1 1 95 95 TRP N N 95 120.035 120.035 122.935 -2.900 19646
2412 1 6 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.035 -0.223 19646
2413 1 6 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.338 -1.452 19646
2414 1 6 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.379 -0.122 19646
2415 1 6 . 1 1 95 95 TRP H H 95 8.366 8.366 8.611 -0.245 19646
2416 1 6 . 1 1 96 96 ASN N N 96 125.356 125.356 122.933 2.423 19646
2417 1 6 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.018 0.050 19646
2418 1 6 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.163 0.669 19646
2419 1 6 . 1 1 96 96 ASN CB C 96 39.532 39.532 40.228 -0.696 19646
2420 1 6 . 1 1 96 96 ASN H H 96 9.268 9.268 9.200 0.068 19646
2421 1 6 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.138 0.574 19646
2422 1 6 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.721 -2.913 19646
2423 1 6 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.081 19.822 19646
2424 1 6 . 1 1 98 98 THR N N 98 112.700 112.700 119.660 -6.960 19646
2425 1 6 . 1 1 98 98 THR HA H 98 4.183 4.183 3.983 0.200 19646
2426 1 6 . 1 1 98 98 THR CA C 98 62.852 62.852 65.251 -2.399 19646
2427 1 6 . 1 1 98 98 THR CB C 98 70.176 70.176 68.638 1.538 19646
2428 1 6 . 1 1 98 98 THR H H 98 8.221 8.221 8.786 -0.565 19646
2429 1 6 . 1 1 99 99 ASP N N 99 120.286 120.286 115.615 4.671 19646
2430 1 6 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.472 0.177 19646
2431 1 6 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.107 -2.400 19646
2432 1 6 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.032 1.777 19646
2433 1 6 . 1 1 99 99 ASP H H 99 8.038 8.038 8.186 -0.148 19646
2434 1 6 . 1 1 100 100 HIS N N 100 120.257 120.257 114.956 5.301 19646
2435 1 6 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.500 0.155 19646
2436 1 6 . 1 1 100 100 HIS CA C 100 55.554 55.554 54.959 0.595 19646
2437 1 6 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.141 0.734 19646
2438 1 6 . 1 1 100 100 HIS H H 100 8.654 8.654 7.814 0.840 19646
2439 1 6 . 1 1 101 101 VAL N N 101 123.478 123.478 122.327 1.151 19646
2440 1 6 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.979 0.003 19646
2441 1 6 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.995 -0.066 19646
2442 1 6 . 1 1 101 101 VAL CB C 101 31.843 31.843 33.011 -1.168 19646
2443 1 6 . 1 1 101 101 VAL H H 101 8.687 8.687 8.218 0.469 19646
2444 1 6 . 1 1 102 102 CYS N N 102 125.981 125.981 127.568 -1.587 19646
2445 1 6 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.381 0.463 19646
2446 1 6 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.178 -5.214 19646
2447 1 6 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.149 12.442 19646
2448 1 6 . 1 1 102 102 CYS H H 102 8.700 8.700 8.608 0.092 19646
2449 1 7 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.271 0.043 19646
2450 1 7 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.017 0.554 19646
2451 1 7 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.456 -0.141 19646
2452 1 7 . 1 1 3 3 MET HA H 3 4.438 4.438 4.515 -0.077 19646
2453 1 7 . 1 1 3 3 MET CA C 3 55.752 55.752 54.782 0.970 19646
2454 1 7 . 1 1 3 3 MET CB C 3 32.785 32.785 33.203 -0.417 19646
2455 1 7 . 1 1 6 6 CYS N N 6 123.547 123.547 121.071 2.476 19646
2456 1 7 . 1 1 6 6 CYS H H 6 8.184 8.184 8.430 -0.246 19646
2457 1 7 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.303 0.262 19646
2458 1 7 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.798 -0.720 19646
2459 1 7 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.351 -0.715 19646
2460 1 7 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.528 0.036 19646
2461 1 7 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.315 1.692 19646
2462 1 7 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.750 0.882 19646
2463 1 7 . 1 1 10 10 MET N N 10 123.176 123.176 120.790 2.386 19646
2464 1 7 . 1 1 10 10 MET HA H 10 4.346 4.346 4.691 -0.345 19646
2465 1 7 . 1 1 10 10 MET CA C 10 57.932 57.932 55.887 2.045 19646
2466 1 7 . 1 1 10 10 MET CB C 10 33.859 33.859 34.117 -0.258 19646
2467 1 7 . 1 1 10 10 MET H H 10 8.759 8.759 8.581 0.178 19646
2468 1 7 . 1 1 11 11 VAL N N 11 116.266 116.266 119.614 -3.348 19646
2469 1 7 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.301 -0.000 19646
2470 1 7 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.221 -1.489 19646
2471 1 7 . 1 1 11 11 VAL CB C 11 35.145 35.145 33.214 1.931 19646
2472 1 7 . 1 1 11 11 VAL H H 11 8.855 8.855 7.646 1.209 19646
2473 1 7 . 1 1 12 12 LYS N N 12 125.383 125.383 127.291 -1.908 19646
2474 1 7 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.770 -0.399 19646
2475 1 7 . 1 1 12 12 LYS CA C 12 56.715 56.715 56.189 0.526 19646
2476 1 7 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.337 -0.167 19646
2477 1 7 . 1 1 12 12 LYS H H 12 8.448 8.448 8.517 -0.069 19646
2478 1 7 . 1 1 13 13 LEU N N 13 132.136 132.136 122.111 10.025 19646
2479 1 7 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.926 -0.377 19646
2480 1 7 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.390 -0.278 19646
2481 1 7 . 1 1 13 13 LEU CB C 13 43.288 43.288 45.080 -1.792 19646
2482 1 7 . 1 1 13 13 LEU H H 13 9.145 9.145 9.192 -0.047 19646
2483 1 7 . 1 1 14 14 VAL N N 14 127.590 127.590 116.236 11.354 19646
2484 1 7 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.526 -0.377 19646
2485 1 7 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.334 1.798 19646
2486 1 7 . 1 1 14 14 VAL CB C 14 32.365 32.365 35.443 -3.078 19646
2487 1 7 . 1 1 14 14 VAL H H 14 8.578 8.578 7.865 0.713 19646
2488 1 7 . 1 1 15 15 CYS N N 15 129.201 129.201 122.672 6.529 19646
2489 1 7 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.822 -0.531 19646
2490 1 7 . 1 1 15 15 CYS CA C 15 56.014 56.014 56.163 -0.149 19646
2491 1 7 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.188 13.894 19646
2492 1 7 . 1 1 15 15 CYS H H 15 8.643 8.643 8.600 0.043 19646
2493 1 7 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.300 0.197 19646
2494 1 7 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.314 -0.964 19646
2495 1 7 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.366 -0.215 19646
2496 1 7 . 1 1 17 17 ALA N N 17 124.507 124.507 121.207 3.300 19646
2497 1 7 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.084 0.036 19646
2498 1 7 . 1 1 17 17 ALA CA C 17 53.417 53.417 53.975 -0.558 19646
2499 1 7 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.614 0.268 19646
2500 1 7 . 1 1 17 17 ALA H H 17 8.553 8.553 8.201 0.352 19646
2501 1 7 . 1 1 18 18 ASP N N 18 114.322 114.322 117.112 -2.790 19646
2502 1 7 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.635 -0.130 19646
2503 1 7 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.156 0.499 19646
2504 1 7 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.748 -0.361 19646
2505 1 7 . 1 1 18 18 ASP H H 18 8.116 8.116 8.009 0.107 19646
2506 1 7 . 1 1 19 19 ASN N N 19 115.834 115.834 116.338 -0.504 19646
2507 1 7 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.449 0.207 19646
2508 1 7 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.354 -0.124 19646
2509 1 7 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.973 0.103 19646
2510 1 7 . 1 1 19 19 ASN H H 19 7.669 7.669 8.253 -0.584 19646
2511 1 7 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.415 -0.128 19646
2512 1 7 . 1 1 20 20 LEU CA C 20 55.807 55.807 55.711 0.096 19646
2513 1 7 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.063 0.695 19646
2514 1 7 . 1 1 21 21 ARG N N 21 117.867 117.867 120.510 -2.643 19646
2515 1 7 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.008 0.295 19646
2516 1 7 . 1 1 21 21 ARG CA C 21 55.632 55.632 57.508 -1.876 19646
2517 1 7 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.219 -0.487 19646
2518 1 7 . 1 1 21 21 ARG H H 21 7.897 7.897 8.227 -0.330 19646
2519 1 7 . 1 1 22 22 ALA N N 22 123.746 123.746 119.852 3.894 19646
2520 1 7 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.467 -0.252 19646
2521 1 7 . 1 1 22 22 ALA CA C 22 52.261 52.261 50.907 1.354 19646
2522 1 7 . 1 1 22 22 ALA CB C 22 20.466 20.466 21.363 -0.897 19646
2523 1 7 . 1 1 22 22 ALA H H 22 7.345 7.345 7.736 -0.391 19646
2524 1 7 . 1 1 23 23 GLU N N 23 119.157 119.157 117.848 1.309 19646
2525 1 7 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.515 0.027 19646
2526 1 7 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.077 0.467 19646
2527 1 7 . 1 1 23 23 GLU H H 23 8.061 8.061 8.767 -0.706 19646
2528 1 7 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.336 -0.021 19646
2529 1 7 . 1 1 25 25 LEU CA C 25 55.313 55.313 54.597 0.716 19646
2530 1 7 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.797 -0.645 19646
2531 1 7 . 1 1 26 26 GLU N N 26 121.770 121.770 118.366 3.404 19646
2532 1 7 . 1 1 26 26 GLU H H 26 8.165 8.165 8.622 -0.457 19646
2533 1 7 . 1 1 28 28 THR CB C 28 70.366 70.366 69.972 0.393 19646
2534 1 7 . 1 1 29 29 LYS N N 29 128.269 128.269 122.132 6.137 19646
2535 1 7 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.499 0.560 19646
2536 1 7 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.775 -0.901 19646
2537 1 7 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.565 1.033 19646
2538 1 7 . 1 1 29 29 LYS H H 29 8.762 8.762 8.249 0.513 19646
2539 1 7 . 1 1 30 30 THR N N 30 116.019 116.019 114.448 1.571 19646
2540 1 7 . 1 1 30 30 THR HA H 30 5.450 5.450 4.786 0.664 19646
2541 1 7 . 1 1 30 30 THR CA C 30 58.958 58.958 60.669 -1.712 19646
2542 1 7 . 1 1 30 30 THR CB C 30 72.724 72.724 72.015 0.709 19646
2543 1 7 . 1 1 30 30 THR H H 30 9.410 9.410 7.933 1.477 19646
2544 1 7 . 1 1 31 31 CYS N N 31 115.821 115.821 121.338 -5.517 19646
2545 1 7 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.177 0.199 19646
2546 1 7 . 1 1 31 31 CYS CA C 31 57.480 57.480 62.355 -4.875 19646
2547 1 7 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.283 10.033 19646
2548 1 7 . 1 1 31 31 CYS H H 31 8.587 8.587 9.308 -0.721 19646
2549 1 7 . 1 1 32 32 GLN N N 32 115.926 115.926 117.507 -1.581 19646
2550 1 7 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.267 -0.140 19646
2551 1 7 . 1 1 32 32 GLN CA C 32 58.102 58.102 58.456 -0.354 19646
2552 1 7 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.550 0.791 19646
2553 1 7 . 1 1 32 32 GLN H H 32 8.303 8.303 8.511 -0.208 19646
2554 1 7 . 1 1 33 33 ASN N N 33 117.107 117.107 116.029 1.078 19646
2555 1 7 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.898 -0.138 19646
2556 1 7 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.815 -0.888 19646
2557 1 7 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.635 -0.310 19646
2558 1 7 . 1 1 33 33 ASN H H 33 7.925 7.925 8.126 -0.201 19646
2559 1 7 . 1 1 34 34 TYR N N 34 120.190 120.190 120.241 -0.051 19646
2560 1 7 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.173 -0.288 19646
2561 1 7 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.443 2.336 19646
2562 1 7 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.616 0.462 19646
2563 1 7 . 1 1 34 34 TYR H H 34 7.310 7.310 8.488 -1.178 19646
2564 1 7 . 1 1 35 35 ASP N N 35 113.579 113.579 116.716 -3.137 19646
2565 1 7 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.745 -0.238 19646
2566 1 7 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.248 0.234 19646
2567 1 7 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.901 -0.823 19646
2568 1 7 . 1 1 35 35 ASP H H 35 8.291 8.291 8.583 -0.292 19646
2569 1 7 . 1 1 36 36 LEU N N 36 120.878 120.878 120.826 0.052 19646
2570 1 7 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.631 -0.225 19646
2571 1 7 . 1 1 36 36 LEU CA C 36 53.959 53.959 53.526 0.433 19646
2572 1 7 . 1 1 36 36 LEU CB C 36 42.569 42.569 43.860 -1.291 19646
2573 1 7 . 1 1 36 36 LEU H H 36 7.787 7.787 7.505 0.282 19646
2574 1 7 . 1 1 37 37 GLU N N 37 122.509 122.509 122.616 -0.107 19646
2575 1 7 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.082 0.038 19646
2576 1 7 . 1 1 37 37 GLU CA C 37 56.295 56.295 57.593 -1.298 19646
2577 1 7 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.047 0.205 19646
2578 1 7 . 1 1 37 37 GLU H H 37 8.490 8.490 8.393 0.097 19646
2579 1 7 . 1 1 39 39 MET HA H 39 4.588 4.588 5.028 -0.440 19646
2580 1 7 . 1 1 39 39 MET CA C 39 54.180 54.180 54.543 -0.363 19646
2581 1 7 . 1 1 39 39 MET CB C 39 31.754 31.754 34.653 -2.899 19646
2582 1 7 . 1 1 40 40 SER N N 40 118.194 118.194 115.055 3.139 19646
2583 1 7 . 1 1 40 40 SER HA H 40 4.288 4.288 4.045 0.243 19646
2584 1 7 . 1 1 40 40 SER CA C 40 58.207 58.207 58.896 -0.689 19646
2585 1 7 . 1 1 40 40 SER CB C 40 63.324 63.324 63.127 0.197 19646
2586 1 7 . 1 1 40 40 SER H H 40 8.374 8.374 8.595 -0.221 19646
2587 1 7 . 1 1 41 41 MET HA H 41 4.677 4.677 4.244 0.433 19646
2588 1 7 . 1 1 41 41 MET CA C 41 54.482 54.482 56.824 -2.342 19646
2589 1 7 . 1 1 42 42 GLY N N 42 111.120 111.120 111.761 -0.641 19646
2590 1 7 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.989 0.434 19646
2591 1 7 . 1 1 42 42 GLY H H 42 8.035 8.035 7.636 0.399 19646
2592 1 7 . 1 1 43 43 CYS N N 43 126.270 126.270 121.831 4.439 19646
2593 1 7 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.320 0.236 19646
2594 1 7 . 1 1 43 43 CYS CB C 43 38.600 38.600 24.323 14.277 19646
2595 1 7 . 1 1 43 43 CYS H H 43 8.463 8.463 8.662 -0.199 19646
2596 1 7 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.280 -0.062 19646
2597 1 7 . 1 1 44 44 VAL CA C 44 62.334 62.334 61.123 1.211 19646
2598 1 7 . 1 1 44 44 VAL CB C 44 34.050 34.050 35.457 -1.407 19646
2599 1 7 . 1 1 45 45 SER N N 45 126.084 126.084 122.842 3.242 19646
2600 1 7 . 1 1 45 45 SER HA H 45 4.528 4.528 4.807 -0.279 19646
2601 1 7 . 1 1 45 45 SER CA C 45 59.211 59.211 58.303 0.908 19646
2602 1 7 . 1 1 45 45 SER CB C 45 64.191 64.191 64.993 -0.802 19646
2603 1 7 . 1 1 45 45 SER H H 45 8.484 8.484 8.381 0.103 19646
2604 1 7 . 1 1 46 46 GLY N N 46 107.758 107.758 109.225 -1.467 19646
2605 1 7 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.549 0.209 19646
2606 1 7 . 1 1 46 46 GLY H H 46 8.516 8.516 8.826 -0.310 19646
2607 1 7 . 1 1 47 47 CYS N N 47 120.532 120.532 119.125 1.407 19646
2608 1 7 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.763 -0.536 19646
2609 1 7 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.359 -1.946 19646
2610 1 7 . 1 1 47 47 CYS CB C 47 41.276 41.276 28.339 12.937 19646
2611 1 7 . 1 1 47 47 CYS H H 47 8.554 8.554 8.513 0.041 19646
2612 1 7 . 1 1 48 48 LEU N N 48 125.794 125.794 124.129 1.665 19646
2613 1 7 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.900 -0.214 19646
2614 1 7 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.607 1.167 19646
2615 1 7 . 1 1 48 48 LEU CB C 48 45.572 45.572 46.617 -1.045 19646
2616 1 7 . 1 1 48 48 LEU H H 48 9.410 9.410 8.355 1.055 19646
2617 1 7 . 1 1 49 49 CYS N N 49 119.162 119.162 118.934 0.228 19646
2618 1 7 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.600 -0.078 19646
2619 1 7 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.312 -3.223 19646
2620 1 7 . 1 1 49 49 CYS CB C 49 36.633 36.633 26.094 10.539 19646
2621 1 7 . 1 1 49 49 CYS H H 49 9.188 9.188 8.723 0.465 19646
2622 1 7 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.083 -0.147 19646
2623 1 7 . 1 1 53 53 MET N N 53 118.736 118.736 117.866 0.870 19646
2624 1 7 . 1 1 53 53 MET HA H 53 5.043 5.043 5.030 0.013 19646
2625 1 7 . 1 1 53 53 MET CA C 53 54.425 54.425 52.834 1.591 19646
2626 1 7 . 1 1 53 53 MET CB C 53 37.090 37.090 36.042 1.048 19646
2627 1 7 . 1 1 53 53 MET H H 53 8.297 8.297 7.719 0.578 19646
2628 1 7 . 1 1 54 54 VAL N N 54 113.319 113.319 113.818 -0.499 19646
2629 1 7 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.763 -0.187 19646
2630 1 7 . 1 1 54 54 VAL CA C 54 58.879 58.879 58.422 0.457 19646
2631 1 7 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.510 0.851 19646
2632 1 7 . 1 1 54 54 VAL H H 54 9.126 9.126 8.234 0.892 19646
2633 1 7 . 1 1 55 55 ARG N N 55 122.532 122.532 118.831 3.701 19646
2634 1 7 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.866 0.114 19646
2635 1 7 . 1 1 55 55 ARG CA C 55 55.602 55.602 55.180 0.422 19646
2636 1 7 . 1 1 55 55 ARG CB C 55 31.287 31.287 31.762 -0.475 19646
2637 1 7 . 1 1 55 55 ARG H H 55 8.490 8.490 8.627 -0.137 19646
2638 1 7 . 1 1 56 56 HIS N N 56 126.203 126.203 124.314 1.889 19646
2639 1 7 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.836 0.022 19646
2640 1 7 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.907 2.064 19646
2641 1 7 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.458 2.300 19646
2642 1 7 . 1 1 56 56 HIS H H 56 9.100 9.100 9.504 -0.404 19646
2643 1 7 . 1 1 57 57 GLU N N 57 125.530 125.530 128.613 -3.083 19646
2644 1 7 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.833 -0.270 19646
2645 1 7 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.552 0.124 19646
2646 1 7 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.451 -0.530 19646
2647 1 7 . 1 1 57 57 GLU H H 57 8.953 8.953 9.275 -0.322 19646
2648 1 7 . 1 1 58 58 ASN N N 58 114.182 114.182 111.994 2.188 19646
2649 1 7 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.311 0.096 19646
2650 1 7 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.579 -0.606 19646
2651 1 7 . 1 1 58 58 ASN CB C 58 38.074 38.074 38.355 -0.281 19646
2652 1 7 . 1 1 58 58 ASN H H 58 8.687 8.687 8.603 0.084 19646
2653 1 7 . 1 1 59 59 ARG N N 59 118.232 118.232 118.086 0.146 19646
2654 1 7 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.654 0.096 19646
2655 1 7 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.956 -0.403 19646
2656 1 7 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.452 -0.128 19646
2657 1 7 . 1 1 59 59 ARG H H 59 8.027 8.027 8.207 -0.180 19646
2658 1 7 . 1 1 60 60 CYS N N 60 117.965 117.965 122.751 -4.786 19646
2659 1 7 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.397 0.080 19646
2660 1 7 . 1 1 60 60 CYS CA C 60 53.980 53.980 57.890 -3.910 19646
2661 1 7 . 1 1 60 60 CYS CB C 60 40.976 40.976 27.346 13.630 19646
2662 1 7 . 1 1 60 60 CYS H H 60 8.703 8.703 8.651 0.052 19646
2663 1 7 . 1 1 61 61 VAL N N 61 119.418 119.418 119.923 -0.505 19646
2664 1 7 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.427 0.198 19646
2665 1 7 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.245 -0.249 19646
2666 1 7 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.296 1.066 19646
2667 1 7 . 1 1 61 61 VAL H H 61 9.671 9.671 8.277 1.394 19646
2668 1 7 . 1 1 62 62 ALA N N 62 125.768 125.768 124.025 1.743 19646
2669 1 7 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.486 -0.130 19646
2670 1 7 . 1 1 62 62 ALA CA C 62 52.418 52.418 52.222 0.196 19646
2671 1 7 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.941 -1.323 19646
2672 1 7 . 1 1 62 62 ALA H H 62 8.552 8.552 8.314 0.238 19646
2673 1 7 . 1 1 63 63 LEU N N 63 123.359 123.359 122.471 0.888 19646
2674 1 7 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.861 -0.079 19646
2675 1 7 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.195 -0.013 19646
2676 1 7 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.786 1.625 19646
2677 1 7 . 1 1 63 63 LEU H H 63 7.979 7.979 8.565 -0.586 19646
2678 1 7 . 1 1 64 64 GLU N N 64 113.695 113.695 113.650 0.045 19646
2679 1 7 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.990 0.035 19646
2680 1 7 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.418 0.084 19646
2681 1 7 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.604 -0.337 19646
2682 1 7 . 1 1 64 64 GLU H H 64 8.950 8.950 8.695 0.255 19646
2683 1 7 . 1 1 65 65 ARG N N 65 118.469 118.469 117.543 0.926 19646
2684 1 7 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.451 -0.206 19646
2685 1 7 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.564 -1.010 19646
2686 1 7 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.534 -1.376 19646
2687 1 7 . 1 1 65 65 ARG H H 65 8.153 8.153 7.976 0.177 19646
2688 1 7 . 1 1 66 66 CYS N N 66 119.490 119.490 120.254 -0.764 19646
2689 1 7 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.234 -0.010 19646
2690 1 7 . 1 1 66 66 CYS CA C 66 55.125 55.125 58.789 -3.664 19646
2691 1 7 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.078 11.120 19646
2692 1 7 . 1 1 66 66 CYS H H 66 7.601 7.601 7.489 0.112 19646
2693 1 7 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.263 0.174 19646
2694 1 7 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.097 0.361 19646
2695 1 7 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.013 1.655 19646
2696 1 7 . 1 1 68 68 CYS N N 68 112.961 112.961 118.912 -5.951 19646
2697 1 7 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.408 -0.080 19646
2698 1 7 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.681 -1.296 19646
2699 1 7 . 1 1 68 68 CYS CB C 68 42.435 42.435 29.690 12.745 19646
2700 1 7 . 1 1 68 68 CYS H H 68 8.424 8.424 8.759 -0.335 19646
2701 1 7 . 1 1 69 69 PHE N N 69 118.787 118.787 120.000 -1.213 19646
2702 1 7 . 1 1 69 69 PHE HA H 69 5.831 5.831 5.845 -0.014 19646
2703 1 7 . 1 1 69 69 PHE CA C 69 57.124 57.124 56.672 0.452 19646
2704 1 7 . 1 1 69 69 PHE CB C 69 42.551 42.551 41.675 0.876 19646
2705 1 7 . 1 1 69 69 PHE H H 69 8.799 8.799 8.849 -0.050 19646
2706 1 7 . 1 1 70 70 HIS N N 70 123.887 123.887 124.320 -0.433 19646
2707 1 7 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.885 0.083 19646
2708 1 7 . 1 1 70 70 HIS CA C 70 57.755 57.755 56.353 1.402 19646
2709 1 7 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.539 1.289 19646
2710 1 7 . 1 1 70 70 HIS H H 70 9.441 9.441 9.766 -0.325 19646
2711 1 7 . 1 1 71 71 GLN HA H 71 3.733 3.733 4.089 -0.356 19646
2712 1 7 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.796 -0.284 19646
2713 1 7 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.045 -0.313 19646
2714 1 7 . 1 1 72 72 GLY N N 72 104.219 104.219 102.668 1.551 19646
2715 1 7 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.169 0.317 19646
2716 1 7 . 1 1 72 72 GLY H H 72 8.665 8.665 8.531 0.134 19646
2717 1 7 . 1 1 73 73 LYS N N 73 122.208 122.208 121.961 0.247 19646
2718 1 7 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.580 0.090 19646
2719 1 7 . 1 1 73 73 LYS CA C 73 54.931 54.931 54.532 0.399 19646
2720 1 7 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.441 0.683 19646
2721 1 7 . 1 1 73 73 LYS H H 73 7.951 7.951 8.042 -0.091 19646
2722 1 7 . 1 1 74 74 GLU N N 74 122.599 122.599 122.627 -0.028 19646
2723 1 7 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.235 -0.913 19646
2724 1 7 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.424 0.190 19646
2725 1 7 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.216 0.581 19646
2726 1 7 . 1 1 74 74 GLU H H 74 8.216 8.216 8.524 -0.308 19646
2727 1 7 . 1 1 75 75 TYR N N 75 124.173 124.173 125.323 -1.150 19646
2728 1 7 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.829 -0.398 19646
2729 1 7 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.654 0.577 19646
2730 1 7 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.752 0.122 19646
2731 1 7 . 1 1 75 75 TYR H H 75 8.937 8.937 9.442 -0.505 19646
2732 1 7 . 1 1 76 76 ALA N N 76 124.606 124.606 121.119 3.487 19646
2733 1 7 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.655 -0.298 19646
2734 1 7 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.318 0.615 19646
2735 1 7 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.226 -1.419 19646
2736 1 7 . 1 1 76 76 ALA H H 76 8.676 8.676 8.635 0.041 19646
2737 1 7 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.008 -0.154 19646
2738 1 7 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.555 0.329 19646
2739 1 7 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.275 -0.108 19646
2740 1 7 . 1 1 78 78 GLY N N 78 113.317 113.317 112.982 0.335 19646
2741 1 7 . 1 1 78 78 GLY CA C 78 44.966 44.966 45.049 -0.083 19646
2742 1 7 . 1 1 78 78 GLY H H 78 9.487 9.487 8.858 0.629 19646
2743 1 7 . 1 1 79 79 GLU N N 79 120.804 120.804 121.314 -0.510 19646
2744 1 7 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.515 -0.029 19646
2745 1 7 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.441 2.170 19646
2746 1 7 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.139 0.122 19646
2747 1 7 . 1 1 79 79 GLU H H 79 8.254 8.254 7.588 0.666 19646
2748 1 7 . 1 1 80 80 THR N N 80 110.916 110.916 115.878 -4.962 19646
2749 1 7 . 1 1 80 80 THR HA H 80 5.752 5.752 5.500 0.252 19646
2750 1 7 . 1 1 80 80 THR CA C 80 59.984 59.984 59.487 0.497 19646
2751 1 7 . 1 1 80 80 THR CB C 80 72.217 72.217 70.569 1.648 19646
2752 1 7 . 1 1 80 80 THR H H 80 8.132 8.132 8.329 -0.197 19646
2753 1 7 . 1 1 81 81 VAL N N 81 117.320 117.320 118.096 -0.776 19646
2754 1 7 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.517 -0.313 19646
2755 1 7 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.607 0.081 19646
2756 1 7 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.418 0.064 19646
2757 1 7 . 1 1 81 81 VAL H H 81 8.459 8.459 8.995 -0.536 19646
2758 1 7 . 1 1 82 82 LYS N N 82 123.511 123.511 124.672 -1.161 19646
2759 1 7 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.623 0.188 19646
2760 1 7 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.395 -0.540 19646
2761 1 7 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.445 -0.148 19646
2762 1 7 . 1 1 82 82 LYS H H 82 8.017 8.017 8.302 -0.285 19646
2763 1 7 . 1 1 83 83 ILE N N 83 125.653 125.653 127.759 -2.106 19646
2764 1 7 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.184 -0.189 19646
2765 1 7 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.685 0.173 19646
2766 1 7 . 1 1 83 83 ILE CB C 83 38.347 38.347 38.654 -0.307 19646
2767 1 7 . 1 1 83 83 ILE H H 83 8.039 8.039 9.240 -1.201 19646
2768 1 7 . 1 1 84 84 GLY CA C 84 47.357 47.357 45.021 2.336 19646
2769 1 7 . 1 1 85 85 CYS N N 85 122.743 122.743 119.866 2.877 19646
2770 1 7 . 1 1 85 85 CYS HA H 85 4.929 4.929 3.877 1.052 19646
2771 1 7 . 1 1 85 85 CYS CA C 85 58.558 58.558 60.247 -1.689 19646
2772 1 7 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.657 11.314 19646
2773 1 7 . 1 1 85 85 CYS H H 85 8.522 8.522 8.705 -0.183 19646
2774 1 7 . 1 1 86 86 ASN N N 86 121.768 121.768 120.539 1.229 19646
2775 1 7 . 1 1 86 86 ASN HA H 86 4.923 4.923 4.895 0.028 19646
2776 1 7 . 1 1 86 86 ASN CA C 86 53.858 53.858 53.192 0.666 19646
2777 1 7 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.035 1.594 19646
2778 1 7 . 1 1 86 86 ASN H H 86 8.165 8.165 8.410 -0.245 19646
2779 1 7 . 1 1 87 87 THR N N 87 115.576 115.576 117.964 -2.388 19646
2780 1 7 . 1 1 87 87 THR HA H 87 4.613 4.613 5.082 -0.469 19646
2781 1 7 . 1 1 87 87 THR CA C 87 62.341 62.341 60.807 1.534 19646
2782 1 7 . 1 1 87 87 THR CB C 87 70.460 70.460 70.902 -0.442 19646
2783 1 7 . 1 1 87 87 THR H H 87 8.250 8.250 8.285 -0.035 19646
2784 1 7 . 1 1 88 88 CYS N N 88 124.212 124.212 123.271 0.941 19646
2785 1 7 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.526 0.018 19646
2786 1 7 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.167 -2.300 19646
2787 1 7 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.945 18.514 19646
2788 1 7 . 1 1 88 88 CYS H H 88 9.054 9.054 9.007 0.047 19646
2789 1 7 . 1 1 89 89 VAL N N 89 122.162 122.162 119.417 2.745 19646
2790 1 7 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.290 -0.244 19646
2791 1 7 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.404 0.187 19646
2792 1 7 . 1 1 89 89 VAL CB C 89 35.195 35.195 35.641 -0.446 19646
2793 1 7 . 1 1 89 89 VAL H H 89 8.888 8.888 8.312 0.576 19646
2794 1 7 . 1 1 90 90 CYS N N 90 128.312 128.312 128.592 -0.280 19646
2795 1 7 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.970 0.200 19646
2796 1 7 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.469 -2.742 19646
2797 1 7 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.663 12.252 19646
2798 1 7 . 1 1 90 90 CYS H H 90 8.382 8.382 8.415 -0.033 19646
2799 1 7 . 1 1 91 91 ARG N N 91 132.067 132.067 129.507 2.560 19646
2800 1 7 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.536 -0.227 19646
2801 1 7 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.705 0.599 19646
2802 1 7 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.878 -0.995 19646
2803 1 7 . 1 1 91 91 ARG H H 91 9.051 9.051 9.047 0.004 19646
2804 1 7 . 1 1 92 92 ASP N N 92 128.437 128.437 126.319 2.118 19646
2805 1 7 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.280 -0.076 19646
2806 1 7 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.310 0.435 19646
2807 1 7 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.427 -0.285 19646
2808 1 7 . 1 1 92 92 ASP H H 92 9.328 9.328 8.933 0.395 19646
2809 1 7 . 1 1 93 93 ARG N N 93 108.225 108.225 112.609 -4.384 19646
2810 1 7 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.713 -0.439 19646
2811 1 7 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.807 0.594 19646
2812 1 7 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.459 0.102 19646
2813 1 7 . 1 1 93 93 ARG H H 93 8.607 8.607 8.488 0.119 19646
2814 1 7 . 1 1 94 94 LYS N N 94 121.587 121.587 117.484 4.103 19646
2815 1 7 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.511 0.013 19646
2816 1 7 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.230 -0.354 19646
2817 1 7 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.639 -0.533 19646
2818 1 7 . 1 1 94 94 LYS H H 94 7.712 7.712 7.357 0.355 19646
2819 1 7 . 1 1 95 95 TRP N N 95 120.035 120.035 120.444 -0.409 19646
2820 1 7 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.175 -0.363 19646
2821 1 7 . 1 1 95 95 TRP CA C 95 55.886 55.886 56.690 -0.803 19646
2822 1 7 . 1 1 95 95 TRP CB C 95 30.257 30.257 31.097 -0.840 19646
2823 1 7 . 1 1 95 95 TRP H H 95 8.366 8.366 8.500 -0.134 19646
2824 1 7 . 1 1 96 96 ASN N N 96 125.356 125.356 123.652 1.704 19646
2825 1 7 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.055 0.013 19646
2826 1 7 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.334 0.498 19646
2827 1 7 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.588 -0.056 19646
2828 1 7 . 1 1 96 96 ASN H H 96 9.268 9.268 8.692 0.576 19646
2829 1 7 . 1 1 97 97 CYS HA H 97 5.712 5.712 4.992 0.720 19646
2830 1 7 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.951 -3.143 19646
2831 1 7 . 1 1 97 97 CYS CB C 97 47.903 47.903 27.260 20.643 19646
2832 1 7 . 1 1 98 98 THR N N 98 112.700 112.700 119.198 -6.498 19646
2833 1 7 . 1 1 98 98 THR HA H 98 4.183 4.183 3.968 0.215 19646
2834 1 7 . 1 1 98 98 THR CA C 98 62.852 62.852 64.290 -1.438 19646
2835 1 7 . 1 1 98 98 THR CB C 98 70.176 70.176 69.031 1.145 19646
2836 1 7 . 1 1 98 98 THR H H 98 8.221 8.221 9.077 -0.856 19646
2837 1 7 . 1 1 99 99 ASP N N 99 120.286 120.286 120.403 -0.117 19646
2838 1 7 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.474 0.175 19646
2839 1 7 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.588 -2.881 19646
2840 1 7 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.723 1.086 19646
2841 1 7 . 1 1 99 99 ASP H H 99 8.038 8.038 8.924 -0.886 19646
2842 1 7 . 1 1 100 100 HIS N N 100 120.257 120.257 114.059 6.198 19646
2843 1 7 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.729 -0.074 19646
2844 1 7 . 1 1 100 100 HIS CA C 100 55.554 55.554 54.117 1.437 19646
2845 1 7 . 1 1 100 100 HIS CB C 100 30.875 30.875 31.538 -0.663 19646
2846 1 7 . 1 1 100 100 HIS H H 100 8.654 8.654 7.657 0.997 19646
2847 1 7 . 1 1 101 101 VAL N N 101 123.478 123.478 119.223 4.255 19646
2848 1 7 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.822 0.160 19646
2849 1 7 . 1 1 101 101 VAL CA C 101 62.929 62.929 63.060 -0.131 19646
2850 1 7 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.851 -1.008 19646
2851 1 7 . 1 1 101 101 VAL H H 101 8.687 8.687 8.080 0.607 19646
2852 1 7 . 1 1 102 102 CYS N N 102 125.981 125.981 127.535 -1.554 19646
2853 1 7 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.380 0.464 19646
2854 1 7 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.213 -5.249 19646
2855 1 7 . 1 1 102 102 CYS CB C 102 37.591 37.591 24.692 12.899 19646
2856 1 7 . 1 1 102 102 CYS H H 102 8.700 8.700 8.572 0.129 19646
2857 1 8 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.220 0.094 19646
2858 1 8 . 1 1 2 2 ALA CA C 2 52.571 52.571 53.279 -0.708 19646
2859 1 8 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.328 -0.013 19646
2860 1 8 . 1 1 3 3 MET HA H 3 4.438 4.438 4.394 0.044 19646
2861 1 8 . 1 1 3 3 MET CA C 3 55.752 55.752 55.568 0.184 19646
2862 1 8 . 1 1 3 3 MET CB C 3 32.785 32.785 33.295 -0.510 19646
2863 1 8 . 1 1 6 6 CYS N N 6 123.547 123.547 118.534 5.013 19646
2864 1 8 . 1 1 6 6 CYS H H 6 8.184 8.184 7.973 0.211 19646
2865 1 8 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.337 0.228 19646
2866 1 8 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.805 -0.727 19646
2867 1 8 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.339 -0.703 19646
2868 1 8 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.465 0.099 19646
2869 1 8 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.414 1.593 19646
2870 1 8 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.951 0.681 19646
2871 1 8 . 1 1 10 10 MET N N 10 123.176 123.176 119.158 4.018 19646
2872 1 8 . 1 1 10 10 MET HA H 10 4.346 4.346 4.678 -0.332 19646
2873 1 8 . 1 1 10 10 MET CA C 10 57.932 57.932 56.343 1.589 19646
2874 1 8 . 1 1 10 10 MET CB C 10 33.859 33.859 34.843 -0.984 19646
2875 1 8 . 1 1 10 10 MET H H 10 8.759 8.759 8.676 0.083 19646
2876 1 8 . 1 1 11 11 VAL N N 11 116.266 116.266 119.917 -3.651 19646
2877 1 8 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.313 -0.012 19646
2878 1 8 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.307 -1.575 19646
2879 1 8 . 1 1 11 11 VAL CB C 11 35.145 35.145 33.208 1.937 19646
2880 1 8 . 1 1 11 11 VAL H H 11 8.855 8.855 7.763 1.092 19646
2881 1 8 . 1 1 12 12 LYS N N 12 125.383 125.383 128.847 -3.464 19646
2882 1 8 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.669 -0.298 19646
2883 1 8 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.791 0.924 19646
2884 1 8 . 1 1 12 12 LYS CB C 12 33.170 33.170 32.869 0.301 19646
2885 1 8 . 1 1 12 12 LYS H H 12 8.448 8.448 8.558 -0.110 19646
2886 1 8 . 1 1 13 13 LEU N N 13 132.136 132.136 127.702 4.434 19646
2887 1 8 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.816 -0.267 19646
2888 1 8 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.216 -0.104 19646
2889 1 8 . 1 1 13 13 LEU CB C 13 43.288 43.288 42.713 0.575 19646
2890 1 8 . 1 1 13 13 LEU H H 13 9.145 9.145 8.810 0.335 19646
2891 1 8 . 1 1 14 14 VAL N N 14 127.590 127.590 119.316 8.274 19646
2892 1 8 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.573 -0.424 19646
2893 1 8 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.704 1.428 19646
2894 1 8 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.740 -2.375 19646
2895 1 8 . 1 1 14 14 VAL H H 14 8.578 8.578 8.139 0.439 19646
2896 1 8 . 1 1 15 15 CYS N N 15 129.201 129.201 120.880 8.321 19646
2897 1 8 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.963 -0.672 19646
2898 1 8 . 1 1 15 15 CYS CA C 15 56.014 56.014 57.112 -1.098 19646
2899 1 8 . 1 1 15 15 CYS CB C 15 40.082 40.082 25.378 14.704 19646
2900 1 8 . 1 1 15 15 CYS H H 15 8.643 8.643 8.419 0.224 19646
2901 1 8 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.312 0.185 19646
2902 1 8 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.063 -0.713 19646
2903 1 8 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.437 -0.286 19646
2904 1 8 . 1 1 17 17 ALA N N 17 124.507 124.507 121.473 3.034 19646
2905 1 8 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.090 0.030 19646
2906 1 8 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.107 -0.690 19646
2907 1 8 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.616 0.266 19646
2908 1 8 . 1 1 17 17 ALA H H 17 8.553 8.553 8.260 0.293 19646
2909 1 8 . 1 1 18 18 ASP N N 18 114.322 114.322 116.409 -2.087 19646
2910 1 8 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.671 -0.166 19646
2911 1 8 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.858 -0.204 19646
2912 1 8 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.876 -0.489 19646
2913 1 8 . 1 1 18 18 ASP H H 18 8.116 8.116 8.224 -0.108 19646
2914 1 8 . 1 1 19 19 ASN N N 19 115.834 115.834 114.758 1.076 19646
2915 1 8 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.448 0.208 19646
2916 1 8 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.861 -0.631 19646
2917 1 8 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.421 0.655 19646
2918 1 8 . 1 1 19 19 ASN H H 19 7.669 7.669 8.215 -0.546 19646
2919 1 8 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.533 -0.246 19646
2920 1 8 . 1 1 20 20 LEU CA C 20 55.807 55.807 54.718 1.089 19646
2921 1 8 . 1 1 20 20 LEU CB C 20 41.758 41.758 42.102 -0.344 19646
2922 1 8 . 1 1 21 21 ARG N N 21 117.867 117.867 119.997 -2.130 19646
2923 1 8 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.499 -0.196 19646
2924 1 8 . 1 1 21 21 ARG CA C 21 55.632 55.632 55.735 -0.103 19646
2925 1 8 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.806 -1.074 19646
2926 1 8 . 1 1 21 21 ARG H H 21 7.897 7.897 7.773 0.124 19646
2927 1 8 . 1 1 22 22 ALA N N 22 123.746 123.746 122.654 1.092 19646
2928 1 8 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.513 -0.298 19646
2929 1 8 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.103 1.158 19646
2930 1 8 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.157 1.309 19646
2931 1 8 . 1 1 22 22 ALA H H 22 7.345 7.345 8.261 -0.916 19646
2932 1 8 . 1 1 23 23 GLU N N 23 119.157 119.157 116.659 2.498 19646
2933 1 8 . 1 1 23 23 GLU HA H 23 4.542 4.542 3.979 0.563 19646
2934 1 8 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.681 -0.137 19646
2935 1 8 . 1 1 23 23 GLU H H 23 8.061 8.061 7.934 0.127 19646
2936 1 8 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.299 0.016 19646
2937 1 8 . 1 1 25 25 LEU CA C 25 55.313 55.313 55.081 0.232 19646
2938 1 8 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.151 0.000 19646
2939 1 8 . 1 1 26 26 GLU N N 26 121.770 121.770 121.638 0.132 19646
2940 1 8 . 1 1 26 26 GLU H H 26 8.165 8.165 8.182 -0.017 19646
2941 1 8 . 1 1 28 28 THR CB C 28 70.366 70.366 69.615 0.751 19646
2942 1 8 . 1 1 29 29 LYS N N 29 128.269 128.269 120.606 7.663 19646
2943 1 8 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.638 0.421 19646
2944 1 8 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.680 -0.806 19646
2945 1 8 . 1 1 29 29 LYS CB C 29 34.598 34.598 34.064 0.534 19646
2946 1 8 . 1 1 29 29 LYS H H 29 8.762 8.762 8.526 0.236 19646
2947 1 8 . 1 1 30 30 THR N N 30 116.019 116.019 112.597 3.422 19646
2948 1 8 . 1 1 30 30 THR HA H 30 5.450 5.450 5.202 0.248 19646
2949 1 8 . 1 1 30 30 THR CA C 30 58.958 58.958 60.214 -1.256 19646
2950 1 8 . 1 1 30 30 THR CB C 30 72.724 72.724 72.080 0.644 19646
2951 1 8 . 1 1 30 30 THR H H 30 9.410 9.410 8.104 1.306 19646
2952 1 8 . 1 1 31 31 CYS N N 31 115.821 115.821 121.778 -5.957 19646
2953 1 8 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.312 0.064 19646
2954 1 8 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.345 -3.865 19646
2955 1 8 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.024 10.292 19646
2956 1 8 . 1 1 31 31 CYS H H 31 8.587 8.587 8.952 -0.365 19646
2957 1 8 . 1 1 32 32 GLN N N 32 115.926 115.926 115.616 0.310 19646
2958 1 8 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.138 -0.011 19646
2959 1 8 . 1 1 32 32 GLN CA C 32 58.102 58.102 56.826 1.276 19646
2960 1 8 . 1 1 32 32 GLN CB C 32 29.341 29.341 29.470 -0.129 19646
2961 1 8 . 1 1 32 32 GLN H H 32 8.303 8.303 8.068 0.235 19646
2962 1 8 . 1 1 33 33 ASN N N 33 117.107 117.107 114.853 2.254 19646
2963 1 8 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.798 -0.038 19646
2964 1 8 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.812 -0.885 19646
2965 1 8 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.873 -0.548 19646
2966 1 8 . 1 1 33 33 ASN H H 33 7.925 7.925 7.613 0.312 19646
2967 1 8 . 1 1 34 34 TYR N N 34 120.190 120.190 122.352 -2.162 19646
2968 1 8 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.130 -0.245 19646
2969 1 8 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.518 2.261 19646
2970 1 8 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.630 0.448 19646
2971 1 8 . 1 1 34 34 TYR H H 34 7.310 7.310 8.377 -1.067 19646
2972 1 8 . 1 1 35 35 ASP N N 35 113.579 113.579 116.869 -3.290 19646
2973 1 8 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.653 -0.146 19646
2974 1 8 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.959 -0.477 19646
2975 1 8 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.555 -0.477 19646
2976 1 8 . 1 1 35 35 ASP H H 35 8.291 8.291 8.690 -0.399 19646
2977 1 8 . 1 1 36 36 LEU N N 36 120.878 120.878 120.353 0.525 19646
2978 1 8 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.606 -0.200 19646
2979 1 8 . 1 1 36 36 LEU CA C 36 53.959 53.959 52.778 1.181 19646
2980 1 8 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.199 -1.629 19646
2981 1 8 . 1 1 36 36 LEU H H 36 7.787 7.787 7.331 0.456 19646
2982 1 8 . 1 1 37 37 GLU N N 37 122.509 122.509 118.759 3.750 19646
2983 1 8 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.078 0.042 19646
2984 1 8 . 1 1 37 37 GLU CA C 37 56.295 56.295 57.427 -1.132 19646
2985 1 8 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.235 0.017 19646
2986 1 8 . 1 1 37 37 GLU H H 37 8.490 8.490 8.438 0.052 19646
2987 1 8 . 1 1 39 39 MET HA H 39 4.588 4.588 4.677 -0.089 19646
2988 1 8 . 1 1 39 39 MET CA C 39 54.180 54.180 56.307 -2.127 19646
2989 1 8 . 1 1 39 39 MET CB C 39 31.754 31.754 32.044 -0.290 19646
2990 1 8 . 1 1 40 40 SER N N 40 118.194 118.194 113.997 4.197 19646
2991 1 8 . 1 1 40 40 SER HA H 40 4.288 4.288 4.706 -0.418 19646
2992 1 8 . 1 1 40 40 SER CA C 40 58.207 58.207 57.866 0.341 19646
2993 1 8 . 1 1 40 40 SER CB C 40 63.324 63.324 65.544 -2.220 19646
2994 1 8 . 1 1 40 40 SER H H 40 8.374 8.374 7.613 0.761 19646
2995 1 8 . 1 1 41 41 MET HA H 41 4.677 4.677 4.592 0.085 19646
2996 1 8 . 1 1 41 41 MET CA C 41 54.482 54.482 56.309 -1.827 19646
2997 1 8 . 1 1 42 42 GLY N N 42 111.120 111.120 106.576 4.544 19646
2998 1 8 . 1 1 42 42 GLY CA C 42 45.423 45.423 43.865 1.558 19646
2999 1 8 . 1 1 42 42 GLY H H 42 8.035 8.035 8.085 -0.050 19646
3000 1 8 . 1 1 43 43 CYS N N 43 126.270 126.270 116.022 10.248 19646
3001 1 8 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.526 0.030 19646
3002 1 8 . 1 1 43 43 CYS CB C 43 38.600 38.600 27.368 11.232 19646
3003 1 8 . 1 1 43 43 CYS H H 43 8.463 8.463 8.454 0.009 19646
3004 1 8 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.143 0.075 19646
3005 1 8 . 1 1 44 44 VAL CA C 44 62.334 62.334 62.226 0.108 19646
3006 1 8 . 1 1 44 44 VAL CB C 44 34.050 34.050 32.845 1.205 19646
3007 1 8 . 1 1 45 45 SER N N 45 126.084 126.084 122.927 3.157 19646
3008 1 8 . 1 1 45 45 SER HA H 45 4.528 4.528 4.310 0.218 19646
3009 1 8 . 1 1 45 45 SER CA C 45 59.211 59.211 59.730 -0.519 19646
3010 1 8 . 1 1 45 45 SER CB C 45 64.191 64.191 62.745 1.446 19646
3011 1 8 . 1 1 45 45 SER H H 45 8.484 8.484 8.595 -0.111 19646
3012 1 8 . 1 1 46 46 GLY N N 46 107.758 107.758 111.482 -3.724 19646
3013 1 8 . 1 1 46 46 GLY CA C 46 45.758 45.758 44.814 0.944 19646
3014 1 8 . 1 1 46 46 GLY H H 46 8.516 8.516 8.073 0.443 19646
3015 1 8 . 1 1 47 47 CYS N N 47 120.532 120.532 121.291 -0.759 19646
3016 1 8 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.619 -0.392 19646
3017 1 8 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.132 -1.719 19646
3018 1 8 . 1 1 47 47 CYS CB C 47 41.276 41.276 26.497 14.779 19646
3019 1 8 . 1 1 47 47 CYS H H 47 8.554 8.554 8.580 -0.026 19646
3020 1 8 . 1 1 48 48 LEU N N 48 125.794 125.794 122.542 3.252 19646
3021 1 8 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.818 -0.132 19646
3022 1 8 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.878 0.896 19646
3023 1 8 . 1 1 48 48 LEU CB C 48 45.572 45.572 44.984 0.587 19646
3024 1 8 . 1 1 48 48 LEU H H 48 9.410 9.410 7.851 1.559 19646
3025 1 8 . 1 1 49 49 CYS N N 49 119.162 119.162 117.858 1.304 19646
3026 1 8 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.804 -0.282 19646
3027 1 8 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.055 -2.965 19646
3028 1 8 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.032 9.601 19646
3029 1 8 . 1 1 49 49 CYS H H 49 9.188 9.188 8.537 0.651 19646
3030 1 8 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.351 -0.415 19646
3031 1 8 . 1 1 53 53 MET N N 53 118.736 118.736 120.436 -1.700 19646
3032 1 8 . 1 1 53 53 MET HA H 53 5.043 5.043 5.344 -0.301 19646
3033 1 8 . 1 1 53 53 MET CA C 53 54.425 54.425 54.101 0.324 19646
3034 1 8 . 1 1 53 53 MET CB C 53 37.090 37.090 36.245 0.845 19646
3035 1 8 . 1 1 53 53 MET H H 53 8.297 8.297 7.469 0.828 19646
3036 1 8 . 1 1 54 54 VAL N N 54 113.319 113.319 117.321 -4.002 19646
3037 1 8 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.724 -0.148 19646
3038 1 8 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.660 -0.781 19646
3039 1 8 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.738 0.623 19646
3040 1 8 . 1 1 54 54 VAL H H 54 9.126 9.126 8.946 0.180 19646
3041 1 8 . 1 1 55 55 ARG N N 55 122.532 122.532 124.714 -2.182 19646
3042 1 8 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.543 0.437 19646
3043 1 8 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.383 -0.781 19646
3044 1 8 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.501 0.786 19646
3045 1 8 . 1 1 55 55 ARG H H 55 8.490 8.490 9.084 -0.594 19646
3046 1 8 . 1 1 56 56 HIS N N 56 126.203 126.203 125.162 1.041 19646
3047 1 8 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.885 -0.027 19646
3048 1 8 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.764 2.207 19646
3049 1 8 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.298 2.460 19646
3050 1 8 . 1 1 56 56 HIS H H 56 9.100 9.100 9.527 -0.427 19646
3051 1 8 . 1 1 57 57 GLU N N 57 125.530 125.530 128.254 -2.724 19646
3052 1 8 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.814 -0.251 19646
3053 1 8 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.474 0.202 19646
3054 1 8 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.360 -0.439 19646
3055 1 8 . 1 1 57 57 GLU H H 57 8.953 8.953 9.206 -0.253 19646
3056 1 8 . 1 1 58 58 ASN N N 58 114.182 114.182 108.936 5.246 19646
3057 1 8 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.313 0.094 19646
3058 1 8 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.237 -0.264 19646
3059 1 8 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.660 0.414 19646
3060 1 8 . 1 1 58 58 ASN H H 58 8.687 8.687 8.532 0.155 19646
3061 1 8 . 1 1 59 59 ARG N N 59 118.232 118.232 119.131 -0.899 19646
3062 1 8 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.663 0.087 19646
3063 1 8 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.755 -0.201 19646
3064 1 8 . 1 1 59 59 ARG CB C 59 33.324 33.324 34.098 -0.774 19646
3065 1 8 . 1 1 59 59 ARG H H 59 8.027 8.027 8.160 -0.133 19646
3066 1 8 . 1 1 60 60 CYS N N 60 117.965 117.965 122.173 -4.208 19646
3067 1 8 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.440 0.037 19646
3068 1 8 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.076 -4.096 19646
3069 1 8 . 1 1 60 60 CYS CB C 60 40.976 40.976 27.159 13.817 19646
3070 1 8 . 1 1 60 60 CYS H H 60 8.703 8.703 8.708 -0.005 19646
3071 1 8 . 1 1 61 61 VAL N N 61 119.418 119.418 120.703 -1.285 19646
3072 1 8 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.591 0.034 19646
3073 1 8 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.069 -0.073 19646
3074 1 8 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.734 0.628 19646
3075 1 8 . 1 1 61 61 VAL H H 61 9.671 9.671 8.663 1.008 19646
3076 1 8 . 1 1 62 62 ALA N N 62 125.768 125.768 124.733 1.035 19646
3077 1 8 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.632 -0.276 19646
3078 1 8 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.567 0.851 19646
3079 1 8 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.995 -1.377 19646
3080 1 8 . 1 1 62 62 ALA H H 62 8.552 8.552 8.216 0.336 19646
3081 1 8 . 1 1 63 63 LEU N N 63 123.359 123.359 122.983 0.376 19646
3082 1 8 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.744 0.038 19646
3083 1 8 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.576 -0.394 19646
3084 1 8 . 1 1 63 63 LEU CB C 63 42.411 42.411 40.951 1.460 19646
3085 1 8 . 1 1 63 63 LEU H H 63 7.979 7.979 8.311 -0.332 19646
3086 1 8 . 1 1 64 64 GLU N N 64 113.695 113.695 114.224 -0.529 19646
3087 1 8 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.974 0.051 19646
3088 1 8 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.562 -0.060 19646
3089 1 8 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.409 -0.142 19646
3090 1 8 . 1 1 64 64 GLU H H 64 8.950 8.950 8.789 0.161 19646
3091 1 8 . 1 1 65 65 ARG N N 65 118.469 118.469 117.179 1.290 19646
3092 1 8 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.386 -0.141 19646
3093 1 8 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.577 -1.023 19646
3094 1 8 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.912 -1.754 19646
3095 1 8 . 1 1 65 65 ARG H H 65 8.153 8.153 7.646 0.507 19646
3096 1 8 . 1 1 66 66 CYS N N 66 119.490 119.490 123.321 -3.831 19646
3097 1 8 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.362 -0.138 19646
3098 1 8 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.263 -2.138 19646
3099 1 8 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.217 10.981 19646
3100 1 8 . 1 1 66 66 CYS H H 66 7.601 7.601 7.819 -0.218 19646
3101 1 8 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.075 0.362 19646
3102 1 8 . 1 1 67 67 PRO CA C 67 62.458 62.458 63.194 -0.736 19646
3103 1 8 . 1 1 67 67 PRO CB C 67 33.668 33.668 31.798 1.870 19646
3104 1 8 . 1 1 68 68 CYS N N 68 112.961 112.961 118.562 -5.601 19646
3105 1 8 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.872 -0.544 19646
3106 1 8 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.448 -1.062 19646
3107 1 8 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.269 12.166 19646
3108 1 8 . 1 1 68 68 CYS H H 68 8.424 8.424 8.633 -0.209 19646
3109 1 8 . 1 1 69 69 PHE N N 69 118.787 118.787 118.961 -0.174 19646
3110 1 8 . 1 1 69 69 PHE HA H 69 5.831 5.831 5.845 -0.014 19646
3111 1 8 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.037 0.087 19646
3112 1 8 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.394 0.157 19646
3113 1 8 . 1 1 69 69 PHE H H 69 8.799 8.799 9.004 -0.205 19646
3114 1 8 . 1 1 70 70 HIS N N 70 123.887 123.887 123.974 -0.087 19646
3115 1 8 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.868 0.100 19646
3116 1 8 . 1 1 70 70 HIS CA C 70 57.755 57.755 56.265 1.490 19646
3117 1 8 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.114 1.714 19646
3118 1 8 . 1 1 70 70 HIS H H 70 9.441 9.441 9.804 -0.363 19646
3119 1 8 . 1 1 71 71 GLN HA H 71 3.733 3.733 4.040 -0.307 19646
3120 1 8 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.677 -0.165 19646
3121 1 8 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.442 -0.710 19646
3122 1 8 . 1 1 72 72 GLY N N 72 104.219 104.219 101.388 2.831 19646
3123 1 8 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.513 -0.027 19646
3124 1 8 . 1 1 72 72 GLY H H 72 8.665 8.665 8.653 0.012 19646
3125 1 8 . 1 1 73 73 LYS N N 73 122.208 122.208 122.060 0.148 19646
3126 1 8 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.533 0.137 19646
3127 1 8 . 1 1 73 73 LYS CA C 73 54.931 54.931 54.668 0.263 19646
3128 1 8 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.281 0.843 19646
3129 1 8 . 1 1 73 73 LYS H H 73 7.951 7.951 7.952 -0.001 19646
3130 1 8 . 1 1 74 74 GLU N N 74 122.599 122.599 122.917 -0.318 19646
3131 1 8 . 1 1 74 74 GLU HA H 74 4.322 4.322 4.640 -0.318 19646
3132 1 8 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.247 0.367 19646
3133 1 8 . 1 1 74 74 GLU CB C 74 31.797 31.797 30.698 1.099 19646
3134 1 8 . 1 1 74 74 GLU H H 74 8.216 8.216 8.481 -0.265 19646
3135 1 8 . 1 1 75 75 TYR N N 75 124.173 124.173 125.076 -0.903 19646
3136 1 8 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.732 -0.301 19646
3137 1 8 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.666 0.565 19646
3138 1 8 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.831 0.043 19646
3139 1 8 . 1 1 75 75 TYR H H 75 8.937 8.937 8.893 0.044 19646
3140 1 8 . 1 1 76 76 ALA N N 76 124.606 124.606 121.089 3.517 19646
3141 1 8 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.626 -0.269 19646
3142 1 8 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.669 0.264 19646
3143 1 8 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.113 -1.306 19646
3144 1 8 . 1 1 76 76 ALA H H 76 8.676 8.676 8.626 0.050 19646
3145 1 8 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.017 -0.163 19646
3146 1 8 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.622 0.262 19646
3147 1 8 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.323 -0.156 19646
3148 1 8 . 1 1 78 78 GLY N N 78 113.317 113.317 112.790 0.527 19646
3149 1 8 . 1 1 78 78 GLY CA C 78 44.966 44.966 45.072 -0.106 19646
3150 1 8 . 1 1 78 78 GLY H H 78 9.487 9.487 8.692 0.795 19646
3151 1 8 . 1 1 79 79 GLU N N 79 120.804 120.804 121.397 -0.593 19646
3152 1 8 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.486 -0.000 19646
3153 1 8 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.676 1.934 19646
3154 1 8 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.040 0.222 19646
3155 1 8 . 1 1 79 79 GLU H H 79 8.254 8.254 7.601 0.653 19646
3156 1 8 . 1 1 80 80 THR N N 80 110.916 110.916 117.104 -6.188 19646
3157 1 8 . 1 1 80 80 THR HA H 80 5.752 5.752 5.458 0.294 19646
3158 1 8 . 1 1 80 80 THR CA C 80 59.984 59.984 59.482 0.502 19646
3159 1 8 . 1 1 80 80 THR CB C 80 72.217 72.217 70.581 1.636 19646
3160 1 8 . 1 1 80 80 THR H H 80 8.132 8.132 8.322 -0.190 19646
3161 1 8 . 1 1 81 81 VAL N N 81 117.320 117.320 118.637 -1.317 19646
3162 1 8 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.467 -0.263 19646
3163 1 8 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.143 0.545 19646
3164 1 8 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.343 0.139 19646
3165 1 8 . 1 1 81 81 VAL H H 81 8.459 8.459 9.200 -0.741 19646
3166 1 8 . 1 1 82 82 LYS N N 82 123.511 123.511 124.274 -0.763 19646
3167 1 8 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.533 0.278 19646
3168 1 8 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.066 -0.211 19646
3169 1 8 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.095 0.202 19646
3170 1 8 . 1 1 82 82 LYS H H 82 8.017 8.017 8.320 -0.303 19646
3171 1 8 . 1 1 83 83 ILE N N 83 125.653 125.653 127.191 -1.538 19646
3172 1 8 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.228 -0.233 19646
3173 1 8 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.267 0.591 19646
3174 1 8 . 1 1 83 83 ILE CB C 83 38.347 38.347 39.093 -0.746 19646
3175 1 8 . 1 1 83 83 ILE H H 83 8.039 8.039 9.015 -0.976 19646
3176 1 8 . 1 1 84 84 GLY CA C 84 47.357 47.357 46.894 0.463 19646
3177 1 8 . 1 1 85 85 CYS N N 85 122.743 122.743 124.260 -1.517 19646
3178 1 8 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.706 0.223 19646
3179 1 8 . 1 1 85 85 CYS CA C 85 58.558 58.558 57.605 0.953 19646
3180 1 8 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.521 11.450 19646
3181 1 8 . 1 1 85 85 CYS H H 85 8.522 8.522 8.483 0.039 19646
3182 1 8 . 1 1 86 86 ASN N N 86 121.768 121.768 116.435 5.333 19646
3183 1 8 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.632 -0.709 19646
3184 1 8 . 1 1 86 86 ASN CA C 86 53.858 53.858 51.347 2.510 19646
3185 1 8 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.991 0.638 19646
3186 1 8 . 1 1 86 86 ASN H H 86 8.165 8.165 8.008 0.157 19646
3187 1 8 . 1 1 87 87 THR N N 87 115.576 115.576 115.185 0.391 19646
3188 1 8 . 1 1 87 87 THR HA H 87 4.613 4.613 5.063 -0.450 19646
3189 1 8 . 1 1 87 87 THR CA C 87 62.341 62.341 60.715 1.626 19646
3190 1 8 . 1 1 87 87 THR CB C 87 70.460 70.460 70.492 -0.032 19646
3191 1 8 . 1 1 87 87 THR H H 87 8.250 8.250 8.145 0.105 19646
3192 1 8 . 1 1 88 88 CYS N N 88 124.212 124.212 124.290 -0.078 19646
3193 1 8 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.422 0.122 19646
3194 1 8 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.823 -2.956 19646
3195 1 8 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.641 18.818 19646
3196 1 8 . 1 1 88 88 CYS H H 88 9.054 9.054 9.057 -0.003 19646
3197 1 8 . 1 1 89 89 VAL N N 89 122.162 122.162 123.640 -1.478 19646
3198 1 8 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.298 -0.252 19646
3199 1 8 . 1 1 89 89 VAL CA C 89 59.590 59.590 60.219 -0.629 19646
3200 1 8 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.314 -1.119 19646
3201 1 8 . 1 1 89 89 VAL H H 89 8.888 8.888 8.405 0.483 19646
3202 1 8 . 1 1 90 90 CYS N N 90 128.312 128.312 129.248 -0.936 19646
3203 1 8 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.916 0.254 19646
3204 1 8 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.561 -2.834 19646
3205 1 8 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.463 12.451 19646
3206 1 8 . 1 1 90 90 CYS H H 90 8.382 8.382 8.437 -0.055 19646
3207 1 8 . 1 1 91 91 ARG N N 91 132.067 132.067 129.476 2.591 19646
3208 1 8 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.549 -0.240 19646
3209 1 8 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.580 0.724 19646
3210 1 8 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.624 -0.741 19646
3211 1 8 . 1 1 91 91 ARG H H 91 9.051 9.051 9.095 -0.044 19646
3212 1 8 . 1 1 92 92 ASP N N 92 128.437 128.437 127.399 1.038 19646
3213 1 8 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.344 -0.140 19646
3214 1 8 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.347 0.398 19646
3215 1 8 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.018 0.124 19646
3216 1 8 . 1 1 92 92 ASP H H 92 9.328 9.328 9.090 0.238 19646
3217 1 8 . 1 1 93 93 ARG N N 93 108.225 108.225 109.801 -1.576 19646
3218 1 8 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.692 -0.418 19646
3219 1 8 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.866 0.535 19646
3220 1 8 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.200 0.362 19646
3221 1 8 . 1 1 93 93 ARG H H 93 8.607 8.607 8.561 0.046 19646
3222 1 8 . 1 1 94 94 LYS N N 94 121.587 121.587 117.251 4.336 19646
3223 1 8 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.549 -0.025 19646
3224 1 8 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.413 -0.538 19646
3225 1 8 . 1 1 94 94 LYS CB C 94 36.106 36.106 36.326 -0.220 19646
3226 1 8 . 1 1 94 94 LYS H H 94 7.712 7.712 7.298 0.414 19646
3227 1 8 . 1 1 95 95 TRP N N 95 120.035 120.035 120.720 -0.685 19646
3228 1 8 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.076 -0.264 19646
3229 1 8 . 1 1 95 95 TRP CA C 95 55.886 55.886 56.980 -1.093 19646
3230 1 8 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.779 -0.522 19646
3231 1 8 . 1 1 95 95 TRP H H 95 8.366 8.366 8.627 -0.261 19646
3232 1 8 . 1 1 96 96 ASN N N 96 125.356 125.356 122.853 2.503 19646
3233 1 8 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.052 0.016 19646
3234 1 8 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.610 0.222 19646
3235 1 8 . 1 1 96 96 ASN CB C 96 39.532 39.532 40.521 -0.989 19646
3236 1 8 . 1 1 96 96 ASN H H 96 9.268 9.268 8.967 0.301 19646
3237 1 8 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.148 0.564 19646
3238 1 8 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.856 -3.048 19646
3239 1 8 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.051 19.852 19646
3240 1 8 . 1 1 98 98 THR N N 98 112.700 112.700 120.811 -8.111 19646
3241 1 8 . 1 1 98 98 THR HA H 98 4.183 4.183 3.861 0.322 19646
3242 1 8 . 1 1 98 98 THR CA C 98 62.852 62.852 65.078 -2.226 19646
3243 1 8 . 1 1 98 98 THR CB C 98 70.176 70.176 68.728 1.448 19646
3244 1 8 . 1 1 98 98 THR H H 98 8.221 8.221 8.966 -0.745 19646
3245 1 8 . 1 1 99 99 ASP N N 99 120.286 120.286 113.958 6.328 19646
3246 1 8 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.383 0.266 19646
3247 1 8 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.473 -2.766 19646
3248 1 8 . 1 1 99 99 ASP CB C 99 40.809 40.809 38.733 2.076 19646
3249 1 8 . 1 1 99 99 ASP H H 99 8.038 8.038 8.726 -0.688 19646
3250 1 8 . 1 1 100 100 HIS N N 100 120.257 120.257 114.485 5.772 19646
3251 1 8 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.653 0.002 19646
3252 1 8 . 1 1 100 100 HIS CA C 100 55.554 55.554 54.277 1.277 19646
3253 1 8 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.984 -0.109 19646
3254 1 8 . 1 1 100 100 HIS H H 100 8.654 8.654 7.639 1.015 19646
3255 1 8 . 1 1 101 101 VAL N N 101 123.478 123.478 120.685 2.793 19646
3256 1 8 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.974 0.008 19646
3257 1 8 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.478 0.451 19646
3258 1 8 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.600 -0.757 19646
3259 1 8 . 1 1 101 101 VAL H H 101 8.687 8.687 8.518 0.169 19646
3260 1 8 . 1 1 102 102 CYS N N 102 125.981 125.981 124.495 1.486 19646
3261 1 8 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.183 0.661 19646
3262 1 8 . 1 1 102 102 CYS CA C 102 52.964 52.964 59.214 -6.250 19646
3263 1 8 . 1 1 102 102 CYS CB C 102 37.591 37.591 27.247 10.344 19646
3264 1 8 . 1 1 102 102 CYS H H 102 8.700 8.700 8.692 0.008 19646
3265 1 9 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.218 0.096 19646
3266 1 9 . 1 1 2 2 ALA CA C 2 52.571 52.571 53.656 -1.085 19646
3267 1 9 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.441 -0.126 19646
3268 1 9 . 1 1 3 3 MET HA H 3 4.438 4.438 4.595 -0.157 19646
3269 1 9 . 1 1 3 3 MET CA C 3 55.752 55.752 55.157 0.595 19646
3270 1 9 . 1 1 3 3 MET CB C 3 32.785 32.785 34.110 -1.325 19646
3271 1 9 . 1 1 6 6 CYS N N 6 123.547 123.547 123.548 -0.001 19646
3272 1 9 . 1 1 6 6 CYS H H 6 8.184 8.184 8.264 -0.080 19646
3273 1 9 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.639 -0.074 19646
3274 1 9 . 1 1 8 8 PRO CA C 8 62.078 62.078 61.462 0.616 19646
3275 1 9 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.139 -0.503 19646
3276 1 9 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.397 0.167 19646
3277 1 9 . 1 1 9 9 PRO CA C 9 64.007 64.007 63.607 0.400 19646
3278 1 9 . 1 1 9 9 PRO CB C 9 33.632 33.632 30.958 2.674 19646
3279 1 9 . 1 1 10 10 MET N N 10 123.176 123.176 121.431 1.745 19646
3280 1 9 . 1 1 10 10 MET HA H 10 4.346 4.346 4.656 -0.310 19646
3281 1 9 . 1 1 10 10 MET CA C 10 57.932 57.932 53.954 3.978 19646
3282 1 9 . 1 1 10 10 MET CB C 10 33.859 33.859 33.018 0.841 19646
3283 1 9 . 1 1 10 10 MET H H 10 8.759 8.759 8.077 0.682 19646
3284 1 9 . 1 1 11 11 VAL N N 11 116.266 116.266 116.630 -0.364 19646
3285 1 9 . 1 1 11 11 VAL HA H 11 4.301 4.301 3.635 0.666 19646
3286 1 9 . 1 1 11 11 VAL CA C 11 59.732 59.732 63.348 -3.616 19646
3287 1 9 . 1 1 11 11 VAL CB C 11 35.145 35.145 30.988 4.157 19646
3288 1 9 . 1 1 11 11 VAL H H 11 8.855 8.855 7.700 1.155 19646
3289 1 9 . 1 1 12 12 LYS N N 12 125.383 125.383 125.062 0.321 19646
3290 1 9 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.613 -0.242 19646
3291 1 9 . 1 1 12 12 LYS CA C 12 56.715 56.715 56.023 0.692 19646
3292 1 9 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.014 0.156 19646
3293 1 9 . 1 1 12 12 LYS H H 12 8.448 8.448 8.134 0.314 19646
3294 1 9 . 1 1 13 13 LEU N N 13 132.136 132.136 122.615 9.521 19646
3295 1 9 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.927 -0.378 19646
3296 1 9 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.244 -0.132 19646
3297 1 9 . 1 1 13 13 LEU CB C 13 43.288 43.288 44.777 -1.489 19646
3298 1 9 . 1 1 13 13 LEU H H 13 9.145 9.145 8.938 0.207 19646
3299 1 9 . 1 1 14 14 VAL N N 14 127.590 127.590 116.753 10.837 19646
3300 1 9 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.532 -0.383 19646
3301 1 9 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.311 1.821 19646
3302 1 9 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.492 -2.127 19646
3303 1 9 . 1 1 14 14 VAL H H 14 8.578 8.578 7.850 0.728 19646
3304 1 9 . 1 1 15 15 CYS N N 15 129.201 129.201 122.409 6.792 19646
3305 1 9 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.600 -0.309 19646
3306 1 9 . 1 1 15 15 CYS CA C 15 56.014 56.014 58.287 -2.273 19646
3307 1 9 . 1 1 15 15 CYS CB C 15 40.082 40.082 25.121 14.961 19646
3308 1 9 . 1 1 15 15 CYS H H 15 8.643 8.643 8.636 0.007 19646
3309 1 9 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.272 0.225 19646
3310 1 9 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.145 -0.795 19646
3311 1 9 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.376 -0.225 19646
3312 1 9 . 1 1 17 17 ALA N N 17 124.507 124.507 121.198 3.309 19646
3313 1 9 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.081 0.039 19646
3314 1 9 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.144 -0.727 19646
3315 1 9 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.629 0.253 19646
3316 1 9 . 1 1 17 17 ALA H H 17 8.553 8.553 8.258 0.295 19646
3317 1 9 . 1 1 18 18 ASP N N 18 114.322 114.322 116.231 -1.909 19646
3318 1 9 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.685 -0.180 19646
3319 1 9 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.759 -0.105 19646
3320 1 9 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.929 -0.542 19646
3321 1 9 . 1 1 18 18 ASP H H 18 8.116 8.116 8.204 -0.088 19646
3322 1 9 . 1 1 19 19 ASN N N 19 115.834 115.834 115.038 0.796 19646
3323 1 9 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.558 0.098 19646
3324 1 9 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.717 -0.487 19646
3325 1 9 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.427 0.649 19646
3326 1 9 . 1 1 19 19 ASN H H 19 7.669 7.669 8.166 -0.497 19646
3327 1 9 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.739 -0.452 19646
3328 1 9 . 1 1 20 20 LEU CA C 20 55.807 55.807 55.364 0.443 19646
3329 1 9 . 1 1 20 20 LEU CB C 20 41.758 41.758 42.326 -0.568 19646
3330 1 9 . 1 1 21 21 ARG N N 21 117.867 117.867 119.951 -2.084 19646
3331 1 9 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.421 -0.118 19646
3332 1 9 . 1 1 21 21 ARG CA C 21 55.632 55.632 55.539 0.092 19646
3333 1 9 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.693 -0.961 19646
3334 1 9 . 1 1 21 21 ARG H H 21 7.897 7.897 8.099 -0.202 19646
3335 1 9 . 1 1 22 22 ALA N N 22 123.746 123.746 123.755 -0.009 19646
3336 1 9 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.412 -0.197 19646
3337 1 9 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.801 0.460 19646
3338 1 9 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.465 1.001 19646
3339 1 9 . 1 1 22 22 ALA H H 22 7.345 7.345 8.088 -0.743 19646
3340 1 9 . 1 1 23 23 GLU N N 23 119.157 119.157 122.715 -3.558 19646
3341 1 9 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.329 0.213 19646
3342 1 9 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.306 0.237 19646
3343 1 9 . 1 1 23 23 GLU H H 23 8.061 8.061 8.827 -0.766 19646
3344 1 9 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.214 0.101 19646
3345 1 9 . 1 1 25 25 LEU CA C 25 55.313 55.313 54.880 0.433 19646
3346 1 9 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.448 -0.296 19646
3347 1 9 . 1 1 26 26 GLU N N 26 121.770 121.770 122.501 -0.731 19646
3348 1 9 . 1 1 26 26 GLU H H 26 8.165 8.165 8.324 -0.159 19646
3349 1 9 . 1 1 28 28 THR CB C 28 70.366 70.366 69.145 1.221 19646
3350 1 9 . 1 1 29 29 LYS N N 29 128.269 128.269 118.605 9.664 19646
3351 1 9 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.820 0.239 19646
3352 1 9 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.378 -0.504 19646
3353 1 9 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.978 0.620 19646
3354 1 9 . 1 1 29 29 LYS H H 29 8.762 8.762 7.701 1.061 19646
3355 1 9 . 1 1 30 30 THR N N 30 116.019 116.019 116.242 -0.223 19646
3356 1 9 . 1 1 30 30 THR HA H 30 5.450 5.450 4.973 0.477 19646
3357 1 9 . 1 1 30 30 THR CA C 30 58.958 58.958 60.118 -1.160 19646
3358 1 9 . 1 1 30 30 THR CB C 30 72.724 72.724 71.521 1.203 19646
3359 1 9 . 1 1 30 30 THR H H 30 9.410 9.410 9.676 -0.266 19646
3360 1 9 . 1 1 31 31 CYS N N 31 115.821 115.821 122.687 -6.866 19646
3361 1 9 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.038 0.338 19646
3362 1 9 . 1 1 31 31 CYS CA C 31 57.480 57.480 62.802 -5.322 19646
3363 1 9 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.371 9.945 19646
3364 1 9 . 1 1 31 31 CYS H H 31 8.587 8.587 9.260 -0.673 19646
3365 1 9 . 1 1 32 32 GLN N N 32 115.926 115.926 118.250 -2.324 19646
3366 1 9 . 1 1 32 32 GLN HA H 32 4.127 4.127 3.951 0.176 19646
3367 1 9 . 1 1 32 32 GLN CA C 32 58.102 58.102 58.236 -0.134 19646
3368 1 9 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.637 0.704 19646
3369 1 9 . 1 1 32 32 GLN H H 32 8.303 8.303 8.034 0.269 19646
3370 1 9 . 1 1 33 33 ASN N N 33 117.107 117.107 115.192 1.915 19646
3371 1 9 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.786 -0.026 19646
3372 1 9 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.791 -0.865 19646
3373 1 9 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.441 -0.116 19646
3374 1 9 . 1 1 33 33 ASN H H 33 7.925 7.925 8.010 -0.085 19646
3375 1 9 . 1 1 34 34 TYR N N 34 120.190 120.190 122.574 -2.384 19646
3376 1 9 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.120 -0.235 19646
3377 1 9 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.674 2.105 19646
3378 1 9 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.668 0.410 19646
3379 1 9 . 1 1 34 34 TYR H H 34 7.310 7.310 8.561 -1.251 19646
3380 1 9 . 1 1 35 35 ASP N N 35 113.579 113.579 115.411 -1.832 19646
3381 1 9 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.528 -0.021 19646
3382 1 9 . 1 1 35 35 ASP CA C 35 54.482 54.482 53.722 0.760 19646
3383 1 9 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.620 -0.542 19646
3384 1 9 . 1 1 35 35 ASP H H 35 8.291 8.291 8.525 -0.234 19646
3385 1 9 . 1 1 36 36 LEU N N 36 120.878 120.878 120.073 0.805 19646
3386 1 9 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.540 -0.134 19646
3387 1 9 . 1 1 36 36 LEU CA C 36 53.959 53.959 53.938 0.021 19646
3388 1 9 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.544 -1.975 19646
3389 1 9 . 1 1 36 36 LEU H H 36 7.787 7.787 7.382 0.405 19646
3390 1 9 . 1 1 37 37 GLU N N 37 122.509 122.509 123.600 -1.091 19646
3391 1 9 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.235 -0.115 19646
3392 1 9 . 1 1 37 37 GLU CA C 37 56.295 56.295 57.149 -0.854 19646
3393 1 9 . 1 1 37 37 GLU CB C 37 30.252 30.252 30.107 0.145 19646
3394 1 9 . 1 1 37 37 GLU H H 37 8.490 8.490 8.457 0.033 19646
3395 1 9 . 1 1 39 39 MET HA H 39 4.588 4.588 4.633 -0.045 19646
3396 1 9 . 1 1 39 39 MET CA C 39 54.180 54.180 56.307 -2.127 19646
3397 1 9 . 1 1 39 39 MET CB C 39 31.754 31.754 33.068 -1.314 19646
3398 1 9 . 1 1 40 40 SER N N 40 118.194 118.194 118.367 -0.173 19646
3399 1 9 . 1 1 40 40 SER HA H 40 4.288 4.288 4.544 -0.256 19646
3400 1 9 . 1 1 40 40 SER CA C 40 58.207 58.207 58.341 -0.134 19646
3401 1 9 . 1 1 40 40 SER CB C 40 63.324 63.324 63.585 -0.261 19646
3402 1 9 . 1 1 40 40 SER H H 40 8.374 8.374 8.495 -0.121 19646
3403 1 9 . 1 1 41 41 MET HA H 41 4.677 4.677 4.640 0.037 19646
3404 1 9 . 1 1 41 41 MET CA C 41 54.482 54.482 55.648 -1.166 19646
3405 1 9 . 1 1 42 42 GLY N N 42 111.120 111.120 110.119 1.001 19646
3406 1 9 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.712 0.711 19646
3407 1 9 . 1 1 42 42 GLY H H 42 8.035 8.035 8.221 -0.186 19646
3408 1 9 . 1 1 43 43 CYS N N 43 126.270 126.270 122.911 3.359 19646
3409 1 9 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.397 0.159 19646
3410 1 9 . 1 1 43 43 CYS CB C 43 38.600 38.600 25.657 12.943 19646
3411 1 9 . 1 1 43 43 CYS H H 43 8.463 8.463 8.293 0.170 19646
3412 1 9 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.270 -0.052 19646
3413 1 9 . 1 1 44 44 VAL CA C 44 62.334 62.334 61.775 0.559 19646
3414 1 9 . 1 1 44 44 VAL CB C 44 34.050 34.050 35.563 -1.513 19646
3415 1 9 . 1 1 45 45 SER N N 45 126.084 126.084 122.474 3.610 19646
3416 1 9 . 1 1 45 45 SER HA H 45 4.528 4.528 4.944 -0.416 19646
3417 1 9 . 1 1 45 45 SER CA C 45 59.211 59.211 58.550 0.661 19646
3418 1 9 . 1 1 45 45 SER CB C 45 64.191 64.191 63.814 0.377 19646
3419 1 9 . 1 1 45 45 SER H H 45 8.484 8.484 8.600 -0.116 19646
3420 1 9 . 1 1 46 46 GLY N N 46 107.758 107.758 112.130 -4.372 19646
3421 1 9 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.383 0.376 19646
3422 1 9 . 1 1 46 46 GLY H H 46 8.516 8.516 8.239 0.277 19646
3423 1 9 . 1 1 47 47 CYS N N 47 120.532 120.532 120.446 0.086 19646
3424 1 9 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.732 -0.505 19646
3425 1 9 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.650 -2.237 19646
3426 1 9 . 1 1 47 47 CYS CB C 47 41.276 41.276 28.023 13.253 19646
3427 1 9 . 1 1 47 47 CYS H H 47 8.554 8.554 8.549 0.005 19646
3428 1 9 . 1 1 48 48 LEU N N 48 125.794 125.794 121.425 4.369 19646
3429 1 9 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.936 -0.250 19646
3430 1 9 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.728 1.046 19646
3431 1 9 . 1 1 48 48 LEU CB C 48 45.572 45.572 44.566 1.006 19646
3432 1 9 . 1 1 48 48 LEU H H 48 9.410 9.410 8.552 0.858 19646
3433 1 9 . 1 1 49 49 CYS N N 49 119.162 119.162 119.292 -0.130 19646
3434 1 9 . 1 1 49 49 CYS HA H 49 4.522 4.522 5.169 -0.647 19646
3435 1 9 . 1 1 49 49 CYS CA C 49 54.090 54.090 55.769 -1.679 19646
3436 1 9 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.937 8.696 19646
3437 1 9 . 1 1 49 49 CYS H H 49 9.188 9.188 8.627 0.561 19646
3438 1 9 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.784 -0.848 19646
3439 1 9 . 1 1 53 53 MET N N 53 118.736 118.736 120.058 -1.322 19646
3440 1 9 . 1 1 53 53 MET HA H 53 5.043 5.043 5.464 -0.421 19646
3441 1 9 . 1 1 53 53 MET CA C 53 54.425 54.425 52.923 1.502 19646
3442 1 9 . 1 1 53 53 MET CB C 53 37.090 37.090 35.280 1.810 19646
3443 1 9 . 1 1 53 53 MET H H 53 8.297 8.297 7.395 0.902 19646
3444 1 9 . 1 1 54 54 VAL N N 54 113.319 113.319 113.207 0.112 19646
3445 1 9 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.791 -0.215 19646
3446 1 9 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.113 -0.234 19646
3447 1 9 . 1 1 54 54 VAL CB C 54 35.361 35.361 35.411 -0.050 19646
3448 1 9 . 1 1 54 54 VAL H H 54 9.126 9.126 9.011 0.115 19646
3449 1 9 . 1 1 55 55 ARG N N 55 122.532 122.532 125.461 -2.929 19646
3450 1 9 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.556 0.424 19646
3451 1 9 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.268 -0.666 19646
3452 1 9 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.584 0.703 19646
3453 1 9 . 1 1 55 55 ARG H H 55 8.490 8.490 8.294 0.196 19646
3454 1 9 . 1 1 56 56 HIS N N 56 126.203 126.203 126.135 0.068 19646
3455 1 9 . 1 1 56 56 HIS HA H 56 4.858 4.858 5.000 -0.142 19646
3456 1 9 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.688 2.283 19646
3457 1 9 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.707 2.051 19646
3458 1 9 . 1 1 56 56 HIS H H 56 9.100 9.100 9.540 -0.440 19646
3459 1 9 . 1 1 57 57 GLU N N 57 125.530 125.530 128.592 -3.062 19646
3460 1 9 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.884 -0.321 19646
3461 1 9 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.019 0.657 19646
3462 1 9 . 1 1 57 57 GLU CB C 57 26.921 26.921 28.300 -1.379 19646
3463 1 9 . 1 1 57 57 GLU H H 57 8.953 8.953 9.304 -0.351 19646
3464 1 9 . 1 1 58 58 ASN N N 58 114.182 114.182 108.522 5.660 19646
3465 1 9 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.326 0.081 19646
3466 1 9 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.492 -0.519 19646
3467 1 9 . 1 1 58 58 ASN CB C 58 38.074 38.074 36.888 1.186 19646
3468 1 9 . 1 1 58 58 ASN H H 58 8.687 8.687 8.563 0.124 19646
3469 1 9 . 1 1 59 59 ARG N N 59 118.232 118.232 118.307 -0.075 19646
3470 1 9 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.708 0.042 19646
3471 1 9 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.737 -0.183 19646
3472 1 9 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.690 -0.366 19646
3473 1 9 . 1 1 59 59 ARG H H 59 8.027 8.027 8.018 0.009 19646
3474 1 9 . 1 1 60 60 CYS N N 60 117.965 117.965 122.631 -4.666 19646
3475 1 9 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.487 -0.010 19646
3476 1 9 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.013 -4.033 19646
3477 1 9 . 1 1 60 60 CYS CB C 60 40.976 40.976 27.120 13.856 19646
3478 1 9 . 1 1 60 60 CYS H H 60 8.703 8.703 8.773 -0.070 19646
3479 1 9 . 1 1 61 61 VAL N N 61 119.418 119.418 121.671 -2.253 19646
3480 1 9 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.573 0.052 19646
3481 1 9 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.232 -0.236 19646
3482 1 9 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.426 0.936 19646
3483 1 9 . 1 1 61 61 VAL H H 61 9.671 9.671 8.977 0.694 19646
3484 1 9 . 1 1 62 62 ALA N N 62 125.768 125.768 123.133 2.635 19646
3485 1 9 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.760 -0.404 19646
3486 1 9 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.810 0.608 19646
3487 1 9 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.754 -1.136 19646
3488 1 9 . 1 1 62 62 ALA H H 62 8.552 8.552 8.377 0.175 19646
3489 1 9 . 1 1 63 63 LEU N N 63 123.359 123.359 124.645 -1.286 19646
3490 1 9 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.753 0.029 19646
3491 1 9 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.301 -0.119 19646
3492 1 9 . 1 1 63 63 LEU CB C 63 42.411 42.411 41.840 0.570 19646
3493 1 9 . 1 1 63 63 LEU H H 63 7.979 7.979 8.128 -0.149 19646
3494 1 9 . 1 1 64 64 GLU N N 64 113.695 113.695 116.085 -2.390 19646
3495 1 9 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.876 0.149 19646
3496 1 9 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.899 -0.397 19646
3497 1 9 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.730 -0.463 19646
3498 1 9 . 1 1 64 64 GLU H H 64 8.950 8.950 8.750 0.200 19646
3499 1 9 . 1 1 65 65 ARG N N 65 118.469 118.469 118.283 0.186 19646
3500 1 9 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.330 -0.085 19646
3501 1 9 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.299 -0.745 19646
3502 1 9 . 1 1 65 65 ARG CB C 65 29.158 29.158 31.018 -1.860 19646
3503 1 9 . 1 1 65 65 ARG H H 65 8.153 8.153 7.692 0.461 19646
3504 1 9 . 1 1 66 66 CYS N N 66 119.490 119.490 122.717 -3.227 19646
3505 1 9 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.347 -0.123 19646
3506 1 9 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.300 -2.175 19646
3507 1 9 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.196 11.002 19646
3508 1 9 . 1 1 66 66 CYS H H 66 7.601 7.601 8.050 -0.449 19646
3509 1 9 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.225 0.212 19646
3510 1 9 . 1 1 67 67 PRO CA C 67 62.458 62.458 63.104 -0.646 19646
3511 1 9 . 1 1 67 67 PRO CB C 67 33.668 33.668 31.768 1.900 19646
3512 1 9 . 1 1 68 68 CYS N N 68 112.961 112.961 118.145 -5.184 19646
3513 1 9 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.886 -0.558 19646
3514 1 9 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.134 -0.748 19646
3515 1 9 . 1 1 68 68 CYS CB C 68 42.435 42.435 29.732 12.703 19646
3516 1 9 . 1 1 68 68 CYS H H 68 8.424 8.424 8.569 -0.145 19646
3517 1 9 . 1 1 69 69 PHE N N 69 118.787 118.787 119.151 -0.364 19646
3518 1 9 . 1 1 69 69 PHE HA H 69 5.831 5.831 5.859 -0.028 19646
3519 1 9 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.147 -0.023 19646
3520 1 9 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.145 0.406 19646
3521 1 9 . 1 1 69 69 PHE H H 69 8.799 8.799 8.986 -0.187 19646
3522 1 9 . 1 1 70 70 HIS N N 70 123.887 123.887 124.564 -0.677 19646
3523 1 9 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.883 0.085 19646
3524 1 9 . 1 1 70 70 HIS CA C 70 57.755 57.755 56.294 1.462 19646
3525 1 9 . 1 1 70 70 HIS CB C 70 33.828 33.828 32.383 1.445 19646
3526 1 9 . 1 1 70 70 HIS H H 70 9.441 9.441 9.722 -0.281 19646
3527 1 9 . 1 1 71 71 GLN HA H 71 3.733 3.733 4.103 -0.370 19646
3528 1 9 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.758 -0.246 19646
3529 1 9 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.081 -0.349 19646
3530 1 9 . 1 1 72 72 GLY N N 72 104.219 104.219 103.527 0.692 19646
3531 1 9 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.138 0.348 19646
3532 1 9 . 1 1 72 72 GLY H H 72 8.665 8.665 8.596 0.069 19646
3533 1 9 . 1 1 73 73 LYS N N 73 122.208 122.208 121.533 0.675 19646
3534 1 9 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.547 0.123 19646
3535 1 9 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.108 -0.177 19646
3536 1 9 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.421 0.703 19646
3537 1 9 . 1 1 73 73 LYS H H 73 7.951 7.951 8.112 -0.161 19646
3538 1 9 . 1 1 74 74 GLU N N 74 122.599 122.599 120.334 2.265 19646
3539 1 9 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.028 -0.706 19646
3540 1 9 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.129 0.485 19646
3541 1 9 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.323 0.474 19646
3542 1 9 . 1 1 74 74 GLU H H 74 8.216 8.216 8.349 -0.133 19646
3543 1 9 . 1 1 75 75 TYR N N 75 124.173 124.173 121.832 2.341 19646
3544 1 9 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.916 -0.485 19646
3545 1 9 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.497 0.734 19646
3546 1 9 . 1 1 75 75 TYR CB C 75 41.874 41.874 42.401 -0.527 19646
3547 1 9 . 1 1 75 75 TYR H H 75 8.937 8.937 8.740 0.197 19646
3548 1 9 . 1 1 76 76 ALA N N 76 124.606 124.606 120.960 3.646 19646
3549 1 9 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.821 -0.464 19646
3550 1 9 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.361 0.572 19646
3551 1 9 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.181 -1.375 19646
3552 1 9 . 1 1 76 76 ALA H H 76 8.676 8.676 9.875 -1.199 19646
3553 1 9 . 1 1 77 77 PRO HA H 77 3.854 3.854 4.075 -0.221 19646
3554 1 9 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.572 0.312 19646
3555 1 9 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.220 -0.053 19646
3556 1 9 . 1 1 78 78 GLY N N 78 113.317 113.317 113.878 -0.561 19646
3557 1 9 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.861 0.105 19646
3558 1 9 . 1 1 78 78 GLY H H 78 9.487 9.487 8.940 0.547 19646
3559 1 9 . 1 1 79 79 GLU N N 79 120.804 120.804 121.469 -0.665 19646
3560 1 9 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.459 0.027 19646
3561 1 9 . 1 1 79 79 GLU CA C 79 57.610 57.610 56.329 1.281 19646
3562 1 9 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.322 -0.061 19646
3563 1 9 . 1 1 79 79 GLU H H 79 8.254 8.254 7.655 0.599 19646
3564 1 9 . 1 1 80 80 THR N N 80 110.916 110.916 115.954 -5.038 19646
3565 1 9 . 1 1 80 80 THR HA H 80 5.752 5.752 5.583 0.169 19646
3566 1 9 . 1 1 80 80 THR CA C 80 59.984 59.984 59.760 0.224 19646
3567 1 9 . 1 1 80 80 THR CB C 80 72.217 72.217 70.639 1.578 19646
3568 1 9 . 1 1 80 80 THR H H 80 8.132 8.132 8.328 -0.196 19646
3569 1 9 . 1 1 81 81 VAL N N 81 117.320 117.320 117.418 -0.098 19646
3570 1 9 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.524 -0.320 19646
3571 1 9 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.675 0.013 19646
3572 1 9 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.513 -0.031 19646
3573 1 9 . 1 1 81 81 VAL H H 81 8.459 8.459 9.128 -0.669 19646
3574 1 9 . 1 1 82 82 LYS N N 82 123.511 123.511 123.909 -0.398 19646
3575 1 9 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.515 0.296 19646
3576 1 9 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.449 -0.594 19646
3577 1 9 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.817 -0.520 19646
3578 1 9 . 1 1 82 82 LYS H H 82 8.017 8.017 8.360 -0.343 19646
3579 1 9 . 1 1 83 83 ILE N N 83 125.653 125.653 124.644 1.009 19646
3580 1 9 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.163 -0.168 19646
3581 1 9 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.737 0.121 19646
3582 1 9 . 1 1 83 83 ILE CB C 83 38.347 38.347 38.701 -0.354 19646
3583 1 9 . 1 1 83 83 ILE H H 83 8.039 8.039 9.202 -1.163 19646
3584 1 9 . 1 1 84 84 GLY CA C 84 47.357 47.357 45.216 2.141 19646
3585 1 9 . 1 1 85 85 CYS N N 85 122.743 122.743 118.020 4.723 19646
3586 1 9 . 1 1 85 85 CYS HA H 85 4.929 4.929 3.951 0.978 19646
3587 1 9 . 1 1 85 85 CYS CA C 85 58.558 58.558 59.736 -1.177 19646
3588 1 9 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.260 11.711 19646
3589 1 9 . 1 1 85 85 CYS H H 85 8.522 8.522 8.664 -0.142 19646
3590 1 9 . 1 1 86 86 ASN N N 86 121.768 121.768 119.609 2.159 19646
3591 1 9 . 1 1 86 86 ASN HA H 86 4.923 4.923 4.829 0.094 19646
3592 1 9 . 1 1 86 86 ASN CA C 86 53.858 53.858 53.355 0.503 19646
3593 1 9 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.845 0.784 19646
3594 1 9 . 1 1 86 86 ASN H H 86 8.165 8.165 8.259 -0.094 19646
3595 1 9 . 1 1 87 87 THR N N 87 115.576 115.576 118.644 -3.068 19646
3596 1 9 . 1 1 87 87 THR HA H 87 4.613 4.613 5.182 -0.569 19646
3597 1 9 . 1 1 87 87 THR CA C 87 62.341 62.341 61.402 0.939 19646
3598 1 9 . 1 1 87 87 THR CB C 87 70.460 70.460 71.177 -0.717 19646
3599 1 9 . 1 1 87 87 THR H H 87 8.250 8.250 8.252 -0.002 19646
3600 1 9 . 1 1 88 88 CYS N N 88 124.212 124.212 123.052 1.160 19646
3601 1 9 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.542 0.002 19646
3602 1 9 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.142 -2.275 19646
3603 1 9 . 1 1 88 88 CYS CB C 88 50.459 50.459 32.158 18.301 19646
3604 1 9 . 1 1 88 88 CYS H H 88 9.054 9.054 9.108 -0.054 19646
3605 1 9 . 1 1 89 89 VAL N N 89 122.162 122.162 119.595 2.567 19646
3606 1 9 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.339 -0.293 19646
3607 1 9 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.550 0.040 19646
3608 1 9 . 1 1 89 89 VAL CB C 89 35.195 35.195 35.843 -0.648 19646
3609 1 9 . 1 1 89 89 VAL H H 89 8.888 8.888 8.457 0.431 19646
3610 1 9 . 1 1 90 90 CYS N N 90 128.312 128.312 128.398 -0.086 19646
3611 1 9 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.878 0.292 19646
3612 1 9 . 1 1 90 90 CYS CA C 90 54.727 54.727 57.733 -3.006 19646
3613 1 9 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.666 12.249 19646
3614 1 9 . 1 1 90 90 CYS H H 90 8.382 8.382 8.557 -0.175 19646
3615 1 9 . 1 1 91 91 ARG N N 91 132.067 132.067 129.384 2.683 19646
3616 1 9 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.562 -0.253 19646
3617 1 9 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.706 0.598 19646
3618 1 9 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.858 -0.975 19646
3619 1 9 . 1 1 91 91 ARG H H 91 9.051 9.051 9.117 -0.066 19646
3620 1 9 . 1 1 92 92 ASP N N 92 128.437 128.437 126.297 2.140 19646
3621 1 9 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.280 -0.076 19646
3622 1 9 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.271 0.474 19646
3623 1 9 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.430 -0.288 19646
3624 1 9 . 1 1 92 92 ASP H H 92 9.328 9.328 9.047 0.281 19646
3625 1 9 . 1 1 93 93 ARG N N 93 108.225 108.225 113.716 -5.491 19646
3626 1 9 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.628 -0.354 19646
3627 1 9 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.867 0.534 19646
3628 1 9 . 1 1 93 93 ARG CB C 93 28.561 28.561 29.547 -0.986 19646
3629 1 9 . 1 1 93 93 ARG H H 93 8.607 8.607 8.557 0.050 19646
3630 1 9 . 1 1 94 94 LYS N N 94 121.587 121.587 117.759 3.828 19646
3631 1 9 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.556 -0.032 19646
3632 1 9 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.442 -0.567 19646
3633 1 9 . 1 1 94 94 LYS CB C 94 36.106 36.106 35.456 0.649 19646
3634 1 9 . 1 1 94 94 LYS H H 94 7.712 7.712 7.390 0.322 19646
3635 1 9 . 1 1 95 95 TRP N N 95 120.035 120.035 122.983 -2.948 19646
3636 1 9 . 1 1 95 95 TRP HA H 95 4.812 4.812 4.982 -0.170 19646
3637 1 9 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.086 -1.200 19646
3638 1 9 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.518 -0.261 19646
3639 1 9 . 1 1 95 95 TRP H H 95 8.366 8.366 8.601 -0.235 19646
3640 1 9 . 1 1 96 96 ASN N N 96 125.356 125.356 123.692 1.664 19646
3641 1 9 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.016 0.052 19646
3642 1 9 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.267 0.565 19646
3643 1 9 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.642 -0.110 19646
3644 1 9 . 1 1 96 96 ASN H H 96 9.268 9.268 8.920 0.348 19646
3645 1 9 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.030 0.682 19646
3646 1 9 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.786 -2.978 19646
3647 1 9 . 1 1 97 97 CYS CB C 97 47.903 47.903 27.668 20.235 19646
3648 1 9 . 1 1 98 98 THR N N 98 112.700 112.700 119.467 -6.767 19646
3649 1 9 . 1 1 98 98 THR HA H 98 4.183 4.183 4.113 0.070 19646
3650 1 9 . 1 1 98 98 THR CA C 98 62.852 62.852 65.923 -3.071 19646
3651 1 9 . 1 1 98 98 THR CB C 98 70.176 70.176 68.946 1.230 19646
3652 1 9 . 1 1 98 98 THR H H 98 8.221 8.221 8.933 -0.712 19646
3653 1 9 . 1 1 99 99 ASP N N 99 120.286 120.286 116.654 3.632 19646
3654 1 9 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.408 0.241 19646
3655 1 9 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.501 -2.793 19646
3656 1 9 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.673 1.136 19646
3657 1 9 . 1 1 99 99 ASP H H 99 8.038 8.038 8.772 -0.734 19646
3658 1 9 . 1 1 100 100 HIS N N 100 120.257 120.257 113.335 6.922 19646
3659 1 9 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.719 -0.064 19646
3660 1 9 . 1 1 100 100 HIS CA C 100 55.554 55.554 54.754 0.800 19646
3661 1 9 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.600 0.275 19646
3662 1 9 . 1 1 100 100 HIS H H 100 8.654 8.654 7.962 0.692 19646
3663 1 9 . 1 1 101 101 VAL N N 101 123.478 123.478 119.681 3.797 19646
3664 1 9 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.908 0.074 19646
3665 1 9 . 1 1 101 101 VAL CA C 101 62.929 62.929 62.582 0.347 19646
3666 1 9 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.971 -1.128 19646
3667 1 9 . 1 1 101 101 VAL H H 101 8.687 8.687 8.171 0.516 19646
3668 1 9 . 1 1 102 102 CYS N N 102 125.981 125.981 128.033 -2.052 19646
3669 1 9 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.161 0.683 19646
3670 1 9 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.349 -5.386 19646
3671 1 9 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.449 12.142 19646
3672 1 9 . 1 1 102 102 CYS H H 102 8.700 8.700 8.487 0.213 19646
3673 1 10 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.292 0.022 19646
3674 1 10 . 1 1 2 2 ALA CA C 2 52.571 52.571 53.688 -1.117 19646
3675 1 10 . 1 1 2 2 ALA CB C 2 19.315 19.315 18.776 0.539 19646
3676 1 10 . 1 1 3 3 MET HA H 3 4.438 4.438 4.255 0.183 19646
3677 1 10 . 1 1 3 3 MET CA C 3 55.752 55.752 55.899 -0.147 19646
3678 1 10 . 1 1 3 3 MET CB C 3 32.785 32.785 31.989 0.796 19646
3679 1 10 . 1 1 6 6 CYS N N 6 123.547 123.547 118.646 4.901 19646
3680 1 10 . 1 1 6 6 CYS H H 6 8.184 8.184 8.218 -0.034 19646
3681 1 10 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.553 0.012 19646
3682 1 10 . 1 1 8 8 PRO CA C 8 62.078 62.078 61.397 0.681 19646
3683 1 10 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.334 -0.698 19646
3684 1 10 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.611 -0.047 19646
3685 1 10 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.511 1.496 19646
3686 1 10 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.592 1.040 19646
3687 1 10 . 1 1 10 10 MET N N 10 123.176 123.176 122.456 0.720 19646
3688 1 10 . 1 1 10 10 MET HA H 10 4.346 4.346 4.667 -0.321 19646
3689 1 10 . 1 1 10 10 MET CA C 10 57.932 57.932 55.529 2.403 19646
3690 1 10 . 1 1 10 10 MET CB C 10 33.859 33.859 34.268 -0.409 19646
3691 1 10 . 1 1 10 10 MET H H 10 8.759 8.759 8.624 0.135 19646
3692 1 10 . 1 1 11 11 VAL N N 11 116.266 116.266 119.681 -3.415 19646
3693 1 10 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.298 0.003 19646
3694 1 10 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.149 -1.417 19646
3695 1 10 . 1 1 11 11 VAL CB C 11 35.145 35.145 33.103 2.042 19646
3696 1 10 . 1 1 11 11 VAL H H 11 8.855 8.855 7.771 1.084 19646
3697 1 10 . 1 1 12 12 LYS N N 12 125.383 125.383 128.153 -2.770 19646
3698 1 10 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.766 -0.395 19646
3699 1 10 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.852 0.863 19646
3700 1 10 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.269 -0.099 19646
3701 1 10 . 1 1 12 12 LYS H H 12 8.448 8.448 8.524 -0.076 19646
3702 1 10 . 1 1 13 13 LEU N N 13 132.136 132.136 126.082 6.054 19646
3703 1 10 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.921 -0.372 19646
3704 1 10 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.191 -0.078 19646
3705 1 10 . 1 1 13 13 LEU CB C 13 43.288 43.288 43.958 -0.670 19646
3706 1 10 . 1 1 13 13 LEU H H 13 9.145 9.145 9.077 0.068 19646
3707 1 10 . 1 1 14 14 VAL N N 14 127.590 127.590 117.747 9.843 19646
3708 1 10 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.458 -0.309 19646
3709 1 10 . 1 1 14 14 VAL CA C 14 61.132 61.132 60.086 1.046 19646
3710 1 10 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.197 -1.832 19646
3711 1 10 . 1 1 14 14 VAL H H 14 8.578 8.578 7.987 0.591 19646
3712 1 10 . 1 1 15 15 CYS N N 15 129.201 129.201 124.091 5.110 19646
3713 1 10 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.681 -0.390 19646
3714 1 10 . 1 1 15 15 CYS CA C 15 56.014 56.014 57.507 -1.493 19646
3715 1 10 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.267 13.816 19646
3716 1 10 . 1 1 15 15 CYS H H 15 8.643 8.643 8.554 0.089 19646
3717 1 10 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.313 0.184 19646
3718 1 10 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.303 -0.953 19646
3719 1 10 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.205 -0.054 19646
3720 1 10 . 1 1 17 17 ALA N N 17 124.507 124.507 121.915 2.592 19646
3721 1 10 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.106 0.014 19646
3722 1 10 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.198 -0.781 19646
3723 1 10 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.709 0.173 19646
3724 1 10 . 1 1 17 17 ALA H H 17 8.553 8.553 8.393 0.160 19646
3725 1 10 . 1 1 18 18 ASP N N 18 114.322 114.322 116.256 -1.934 19646
3726 1 10 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.813 -0.308 19646
3727 1 10 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.418 0.236 19646
3728 1 10 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.159 0.228 19646
3729 1 10 . 1 1 18 18 ASP H H 18 8.116 8.116 8.088 0.028 19646
3730 1 10 . 1 1 19 19 ASN N N 19 115.834 115.834 117.580 -1.746 19646
3731 1 10 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.322 0.334 19646
3732 1 10 . 1 1 19 19 ASN CA C 19 53.230 53.230 52.908 0.322 19646
3733 1 10 . 1 1 19 19 ASN CB C 19 38.076 38.076 38.089 -0.013 19646
3734 1 10 . 1 1 19 19 ASN H H 19 7.669 7.669 7.487 0.182 19646
3735 1 10 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.184 0.103 19646
3736 1 10 . 1 1 20 20 LEU CA C 20 55.807 55.807 57.174 -1.367 19646
3737 1 10 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.408 0.350 19646
3738 1 10 . 1 1 21 21 ARG N N 21 117.867 117.867 118.187 -0.320 19646
3739 1 10 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.345 -0.042 19646
3740 1 10 . 1 1 21 21 ARG CA C 21 55.632 55.632 56.051 -0.419 19646
3741 1 10 . 1 1 21 21 ARG CB C 21 29.732 29.732 29.850 -0.118 19646
3742 1 10 . 1 1 21 21 ARG H H 21 7.897 7.897 7.877 0.020 19646
3743 1 10 . 1 1 22 22 ALA N N 22 123.746 123.746 122.769 0.977 19646
3744 1 10 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.479 -0.264 19646
3745 1 10 . 1 1 22 22 ALA CA C 22 52.261 52.261 52.477 -0.216 19646
3746 1 10 . 1 1 22 22 ALA CB C 22 20.466 20.466 20.606 -0.140 19646
3747 1 10 . 1 1 22 22 ALA H H 22 7.345 7.345 7.772 -0.427 19646
3748 1 10 . 1 1 23 23 GLU N N 23 119.157 119.157 122.533 -3.376 19646
3749 1 10 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.452 0.090 19646
3750 1 10 . 1 1 23 23 GLU CA C 23 56.544 56.544 55.621 0.923 19646
3751 1 10 . 1 1 23 23 GLU H H 23 8.061 8.061 8.017 0.044 19646
3752 1 10 . 1 1 25 25 LEU HA H 25 4.315 4.315 3.949 0.366 19646
3753 1 10 . 1 1 25 25 LEU CA C 25 55.313 55.313 55.759 -0.446 19646
3754 1 10 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.490 -0.339 19646
3755 1 10 . 1 1 26 26 GLU N N 26 121.770 121.770 117.980 3.790 19646
3756 1 10 . 1 1 26 26 GLU H H 26 8.165 8.165 8.150 0.015 19646
3757 1 10 . 1 1 28 28 THR CB C 28 70.366 70.366 70.589 -0.223 19646
3758 1 10 . 1 1 29 29 LYS N N 29 128.269 128.269 121.949 6.320 19646
3759 1 10 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.574 0.485 19646
3760 1 10 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.882 -1.008 19646
3761 1 10 . 1 1 29 29 LYS CB C 29 34.598 34.598 32.974 1.624 19646
3762 1 10 . 1 1 29 29 LYS H H 29 8.762 8.762 8.397 0.365 19646
3763 1 10 . 1 1 30 30 THR N N 30 116.019 116.019 113.853 2.166 19646
3764 1 10 . 1 1 30 30 THR HA H 30 5.450 5.450 4.929 0.521 19646
3765 1 10 . 1 1 30 30 THR CA C 30 58.958 58.958 59.658 -0.700 19646
3766 1 10 . 1 1 30 30 THR CB C 30 72.724 72.724 72.588 0.136 19646
3767 1 10 . 1 1 30 30 THR H H 30 9.410 9.410 8.041 1.369 19646
3768 1 10 . 1 1 31 31 CYS N N 31 115.821 115.821 119.004 -3.183 19646
3769 1 10 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.169 0.207 19646
3770 1 10 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.398 -3.918 19646
3771 1 10 . 1 1 31 31 CYS CB C 31 36.316 36.316 25.911 10.405 19646
3772 1 10 . 1 1 31 31 CYS H H 31 8.587 8.587 9.409 -0.822 19646
3773 1 10 . 1 1 32 32 GLN N N 32 115.926 115.926 119.333 -3.407 19646
3774 1 10 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.248 -0.121 19646
3775 1 10 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.814 0.288 19646
3776 1 10 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.338 1.003 19646
3777 1 10 . 1 1 32 32 GLN H H 32 8.303 8.303 8.581 -0.278 19646
3778 1 10 . 1 1 33 33 ASN N N 33 117.107 117.107 116.621 0.486 19646
3779 1 10 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.929 -0.169 19646
3780 1 10 . 1 1 33 33 ASN CA C 33 51.927 51.927 53.314 -1.387 19646
3781 1 10 . 1 1 33 33 ASN CB C 33 39.325 39.325 40.185 -0.860 19646
3782 1 10 . 1 1 33 33 ASN H H 33 7.925 7.925 8.073 -0.148 19646
3783 1 10 . 1 1 34 34 TYR N N 34 120.190 120.190 120.833 -0.643 19646
3784 1 10 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.129 -0.244 19646
3785 1 10 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.362 2.417 19646
3786 1 10 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.954 0.124 19646
3787 1 10 . 1 1 34 34 TYR H H 34 7.310 7.310 8.620 -1.310 19646
3788 1 10 . 1 1 35 35 ASP N N 35 113.579 113.579 115.281 -1.702 19646
3789 1 10 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.678 -0.171 19646
3790 1 10 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.053 0.429 19646
3791 1 10 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.376 -0.298 19646
3792 1 10 . 1 1 35 35 ASP H H 35 8.291 8.291 8.461 -0.170 19646
3793 1 10 . 1 1 36 36 LEU N N 36 120.878 120.878 120.006 0.872 19646
3794 1 10 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.629 -0.223 19646
3795 1 10 . 1 1 36 36 LEU CA C 36 53.959 53.959 53.577 0.382 19646
3796 1 10 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.737 -2.168 19646
3797 1 10 . 1 1 36 36 LEU H H 36 7.787 7.787 7.384 0.403 19646
3798 1 10 . 1 1 37 37 GLU N N 37 122.509 122.509 124.960 -2.451 19646
3799 1 10 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.174 -0.054 19646
3800 1 10 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.844 -0.549 19646
3801 1 10 . 1 1 37 37 GLU CB C 37 30.252 30.252 29.722 0.530 19646
3802 1 10 . 1 1 37 37 GLU H H 37 8.490 8.490 8.488 0.002 19646
3803 1 10 . 1 1 39 39 MET HA H 39 4.588 4.588 3.991 0.597 19646
3804 1 10 . 1 1 39 39 MET CA C 39 54.180 54.180 56.055 -1.875 19646
3805 1 10 . 1 1 39 39 MET CB C 39 31.754 31.754 31.699 0.055 19646
3806 1 10 . 1 1 40 40 SER N N 40 118.194 118.194 111.706 6.488 19646
3807 1 10 . 1 1 40 40 SER HA H 40 4.288 4.288 4.007 0.281 19646
3808 1 10 . 1 1 40 40 SER CA C 40 58.207 58.207 60.905 -2.698 19646
3809 1 10 . 1 1 40 40 SER CB C 40 63.324 63.324 62.867 0.457 19646
3810 1 10 . 1 1 40 40 SER H H 40 8.374 8.374 8.072 0.302 19646
3811 1 10 . 1 1 41 41 MET HA H 41 4.677 4.677 4.583 0.094 19646
3812 1 10 . 1 1 41 41 MET CA C 41 54.482 54.482 55.916 -1.434 19646
3813 1 10 . 1 1 42 42 GLY N N 42 111.120 111.120 109.149 1.971 19646
3814 1 10 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.832 0.591 19646
3815 1 10 . 1 1 42 42 GLY H H 42 8.035 8.035 8.035 -0.000 19646
3816 1 10 . 1 1 43 43 CYS N N 43 126.270 126.270 123.322 2.948 19646
3817 1 10 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.675 -0.119 19646
3818 1 10 . 1 1 43 43 CYS CB C 43 38.600 38.600 24.637 13.963 19646
3819 1 10 . 1 1 43 43 CYS H H 43 8.463 8.463 8.515 -0.052 19646
3820 1 10 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.493 -0.275 19646
3821 1 10 . 1 1 44 44 VAL CA C 44 62.334 62.334 59.627 2.707 19646
3822 1 10 . 1 1 44 44 VAL CB C 44 34.050 34.050 34.851 -0.801 19646
3823 1 10 . 1 1 45 45 SER N N 45 126.084 126.084 118.279 7.805 19646
3824 1 10 . 1 1 45 45 SER HA H 45 4.528 4.528 4.760 -0.232 19646
3825 1 10 . 1 1 45 45 SER CA C 45 59.211 59.211 58.738 0.473 19646
3826 1 10 . 1 1 45 45 SER CB C 45 64.191 64.191 63.768 0.423 19646
3827 1 10 . 1 1 45 45 SER H H 45 8.484 8.484 8.418 0.066 19646
3828 1 10 . 1 1 46 46 GLY N N 46 107.758 107.758 111.093 -3.335 19646
3829 1 10 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.221 0.537 19646
3830 1 10 . 1 1 46 46 GLY H H 46 8.516 8.516 8.206 0.310 19646
3831 1 10 . 1 1 47 47 CYS N N 47 120.532 120.532 120.068 0.464 19646
3832 1 10 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.765 -0.538 19646
3833 1 10 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.822 -2.409 19646
3834 1 10 . 1 1 47 47 CYS CB C 47 41.276 41.276 27.711 13.565 19646
3835 1 10 . 1 1 47 47 CYS H H 47 8.554 8.554 8.187 0.367 19646
3836 1 10 . 1 1 48 48 LEU N N 48 125.794 125.794 124.165 1.629 19646
3837 1 10 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.833 -0.147 19646
3838 1 10 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.568 1.206 19646
3839 1 10 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.692 -0.120 19646
3840 1 10 . 1 1 48 48 LEU H H 48 9.410 9.410 8.253 1.157 19646
3841 1 10 . 1 1 49 49 CYS N N 49 119.162 119.162 119.734 -0.572 19646
3842 1 10 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.698 -0.176 19646
3843 1 10 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.535 -3.445 19646
3844 1 10 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.320 9.313 19646
3845 1 10 . 1 1 49 49 CYS H H 49 9.188 9.188 8.755 0.433 19646
3846 1 10 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.011 -0.075 19646
3847 1 10 . 1 1 53 53 MET N N 53 118.736 118.736 119.122 -0.386 19646
3848 1 10 . 1 1 53 53 MET HA H 53 5.043 5.043 5.081 -0.038 19646
3849 1 10 . 1 1 53 53 MET CA C 53 54.425 54.425 54.874 -0.449 19646
3850 1 10 . 1 1 53 53 MET CB C 53 37.090 37.090 36.165 0.925 19646
3851 1 10 . 1 1 53 53 MET H H 53 8.297 8.297 7.526 0.771 19646
3852 1 10 . 1 1 54 54 VAL N N 54 113.319 113.319 114.710 -1.391 19646
3853 1 10 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.779 -0.203 19646
3854 1 10 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.518 -0.639 19646
3855 1 10 . 1 1 54 54 VAL CB C 54 35.361 35.361 34.501 0.860 19646
3856 1 10 . 1 1 54 54 VAL H H 54 9.126 9.126 9.081 0.045 19646
3857 1 10 . 1 1 55 55 ARG N N 55 122.532 122.532 124.607 -2.075 19646
3858 1 10 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.760 0.220 19646
3859 1 10 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.009 -0.407 19646
3860 1 10 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.442 0.845 19646
3861 1 10 . 1 1 55 55 ARG H H 55 8.490 8.490 8.822 -0.332 19646
3862 1 10 . 1 1 56 56 HIS N N 56 126.203 126.203 124.186 2.017 19646
3863 1 10 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.793 0.065 19646
3864 1 10 . 1 1 56 56 HIS CA C 56 56.971 56.971 55.349 1.622 19646
3865 1 10 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.653 2.106 19646
3866 1 10 . 1 1 56 56 HIS H H 56 9.100 9.100 9.346 -0.246 19646
3867 1 10 . 1 1 57 57 GLU N N 57 125.530 125.530 128.429 -2.899 19646
3868 1 10 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.792 -0.229 19646
3869 1 10 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.252 0.424 19646
3870 1 10 . 1 1 57 57 GLU CB C 57 26.921 26.921 28.188 -1.266 19646
3871 1 10 . 1 1 57 57 GLU H H 57 8.953 8.953 9.216 -0.263 19646
3872 1 10 . 1 1 58 58 ASN N N 58 114.182 114.182 110.310 3.872 19646
3873 1 10 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.401 0.006 19646
3874 1 10 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.347 -0.374 19646
3875 1 10 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.839 0.235 19646
3876 1 10 . 1 1 58 58 ASN H H 58 8.687 8.687 8.562 0.125 19646
3877 1 10 . 1 1 59 59 ARG N N 59 118.232 118.232 118.690 -0.458 19646
3878 1 10 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.666 0.084 19646
3879 1 10 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.456 0.098 19646
3880 1 10 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.567 -0.243 19646
3881 1 10 . 1 1 59 59 ARG H H 59 8.027 8.027 8.029 -0.002 19646
3882 1 10 . 1 1 60 60 CYS N N 60 117.965 117.965 122.560 -4.595 19646
3883 1 10 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.441 0.036 19646
3884 1 10 . 1 1 60 60 CYS CA C 60 53.980 53.980 58.027 -4.047 19646
3885 1 10 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.515 14.461 19646
3886 1 10 . 1 1 60 60 CYS H H 60 8.703 8.703 8.773 -0.070 19646
3887 1 10 . 1 1 61 61 VAL N N 61 119.418 119.418 121.492 -2.074 19646
3888 1 10 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.611 0.014 19646
3889 1 10 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.200 -0.204 19646
3890 1 10 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.079 1.283 19646
3891 1 10 . 1 1 61 61 VAL H H 61 9.671 9.671 9.064 0.607 19646
3892 1 10 . 1 1 62 62 ALA N N 62 125.768 125.768 123.238 2.530 19646
3893 1 10 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.510 -0.154 19646
3894 1 10 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.959 0.459 19646
3895 1 10 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.849 -1.231 19646
3896 1 10 . 1 1 62 62 ALA H H 62 8.552 8.552 8.335 0.216 19646
3897 1 10 . 1 1 63 63 LEU N N 63 123.359 123.359 124.239 -0.880 19646
3898 1 10 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.791 -0.009 19646
3899 1 10 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.735 -0.553 19646
3900 1 10 . 1 1 63 63 LEU CB C 63 42.411 42.411 41.537 0.874 19646
3901 1 10 . 1 1 63 63 LEU H H 63 7.979 7.979 8.260 -0.281 19646
3902 1 10 . 1 1 64 64 GLU N N 64 113.695 113.695 115.255 -1.560 19646
3903 1 10 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.937 0.088 19646
3904 1 10 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.545 -0.043 19646
3905 1 10 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.698 -0.431 19646
3906 1 10 . 1 1 64 64 GLU H H 64 8.950 8.950 8.636 0.314 19646
3907 1 10 . 1 1 65 65 ARG N N 65 118.469 118.469 118.281 0.188 19646
3908 1 10 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.388 -0.143 19646
3909 1 10 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.575 -1.021 19646
3910 1 10 . 1 1 65 65 ARG CB C 65 29.158 29.158 31.310 -2.152 19646
3911 1 10 . 1 1 65 65 ARG H H 65 8.153 8.153 7.812 0.341 19646
3912 1 10 . 1 1 66 66 CYS N N 66 119.490 119.490 120.687 -1.197 19646
3913 1 10 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.309 -0.085 19646
3914 1 10 . 1 1 66 66 CYS CA C 66 55.125 55.125 58.393 -3.268 19646
3915 1 10 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.890 10.309 19646
3916 1 10 . 1 1 66 66 CYS H H 66 7.601 7.601 7.585 0.016 19646
3917 1 10 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.155 0.282 19646
3918 1 10 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.296 0.162 19646
3919 1 10 . 1 1 67 67 PRO CB C 67 33.668 33.668 31.937 1.731 19646
3920 1 10 . 1 1 68 68 CYS N N 68 112.961 112.961 115.697 -2.736 19646
3921 1 10 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.421 -0.093 19646
3922 1 10 . 1 1 68 68 CYS CA C 68 56.386 56.386 56.011 0.375 19646
3923 1 10 . 1 1 68 68 CYS CB C 68 42.435 42.435 29.825 12.610 19646
3924 1 10 . 1 1 68 68 CYS H H 68 8.424 8.424 8.084 0.340 19646
3925 1 10 . 1 1 69 69 PHE N N 69 118.787 118.787 117.587 1.200 19646
3926 1 10 . 1 1 69 69 PHE HA H 69 5.831 5.831 6.017 -0.186 19646
3927 1 10 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.165 -0.041 19646
3928 1 10 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.561 -0.010 19646
3929 1 10 . 1 1 69 69 PHE H H 69 8.799 8.799 8.739 0.060 19646
3930 1 10 . 1 1 70 70 HIS N N 70 123.887 123.887 123.576 0.311 19646
3931 1 10 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.822 0.146 19646
3932 1 10 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.691 2.064 19646
3933 1 10 . 1 1 70 70 HIS CB C 70 33.828 33.828 31.843 1.985 19646
3934 1 10 . 1 1 70 70 HIS H H 70 9.441 9.441 9.827 -0.386 19646
3935 1 10 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.869 -0.136 19646
3936 1 10 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.169 0.343 19646
3937 1 10 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.518 -0.786 19646
3938 1 10 . 1 1 72 72 GLY N N 72 104.219 104.219 102.082 2.137 19646
3939 1 10 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.345 0.141 19646
3940 1 10 . 1 1 72 72 GLY H H 72 8.665 8.665 8.581 0.084 19646
3941 1 10 . 1 1 73 73 LYS N N 73 122.208 122.208 121.492 0.716 19646
3942 1 10 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.536 0.134 19646
3943 1 10 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.401 -0.470 19646
3944 1 10 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.214 0.910 19646
3945 1 10 . 1 1 73 73 LYS H H 73 7.951 7.951 7.727 0.224 19646
3946 1 10 . 1 1 74 74 GLU N N 74 122.599 122.599 123.130 -0.531 19646
3947 1 10 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.164 -0.842 19646
3948 1 10 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.078 0.536 19646
3949 1 10 . 1 1 74 74 GLU CB C 74 31.797 31.797 30.996 0.801 19646
3950 1 10 . 1 1 74 74 GLU H H 74 8.216 8.216 8.519 -0.303 19646
3951 1 10 . 1 1 75 75 TYR N N 75 124.173 124.173 124.997 -0.824 19646
3952 1 10 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.767 -0.336 19646
3953 1 10 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.694 0.537 19646
3954 1 10 . 1 1 75 75 TYR CB C 75 41.874 41.874 41.809 0.065 19646
3955 1 10 . 1 1 75 75 TYR H H 75 8.937 8.937 9.163 -0.226 19646
3956 1 10 . 1 1 76 76 ALA N N 76 124.606 124.606 120.815 3.791 19646
3957 1 10 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.669 -0.312 19646
3958 1 10 . 1 1 76 76 ALA CA C 76 49.933 49.933 48.817 1.116 19646
3959 1 10 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.752 -1.945 19646
3960 1 10 . 1 1 76 76 ALA H H 76 8.676 8.676 8.644 0.032 19646
3961 1 10 . 1 1 77 77 PRO HA H 77 3.854 3.854 3.834 0.020 19646
3962 1 10 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.741 0.143 19646
3963 1 10 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.087 0.080 19646
3964 1 10 . 1 1 78 78 GLY N N 78 113.317 113.317 112.874 0.443 19646
3965 1 10 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.995 -0.029 19646
3966 1 10 . 1 1 78 78 GLY H H 78 9.487 9.487 8.603 0.884 19646
3967 1 10 . 1 1 79 79 GLU N N 79 120.804 120.804 121.519 -0.715 19646
3968 1 10 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.486 -0.000 19646
3969 1 10 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.648 1.962 19646
3970 1 10 . 1 1 79 79 GLU CB C 79 31.261 31.261 30.809 0.452 19646
3971 1 10 . 1 1 79 79 GLU H H 79 8.254 8.254 7.657 0.597 19646
3972 1 10 . 1 1 80 80 THR N N 80 110.916 110.916 116.678 -5.762 19646
3973 1 10 . 1 1 80 80 THR HA H 80 5.752 5.752 5.471 0.281 19646
3974 1 10 . 1 1 80 80 THR CA C 80 59.984 59.984 59.726 0.258 19646
3975 1 10 . 1 1 80 80 THR CB C 80 72.217 72.217 70.465 1.752 19646
3976 1 10 . 1 1 80 80 THR H H 80 8.132 8.132 8.282 -0.150 19646
3977 1 10 . 1 1 81 81 VAL N N 81 117.320 117.320 117.875 -0.555 19646
3978 1 10 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.573 -0.369 19646
3979 1 10 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.838 -0.150 19646
3980 1 10 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.313 0.169 19646
3981 1 10 . 1 1 81 81 VAL H H 81 8.459 8.459 8.895 -0.436 19646
3982 1 10 . 1 1 82 82 LYS N N 82 123.511 123.511 123.829 -0.318 19646
3983 1 10 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.497 0.314 19646
3984 1 10 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.563 -0.708 19646
3985 1 10 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.434 -0.137 19646
3986 1 10 . 1 1 82 82 LYS H H 82 8.017 8.017 8.317 -0.300 19646
3987 1 10 . 1 1 83 83 ILE N N 83 125.653 125.653 127.304 -1.651 19646
3988 1 10 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.331 -0.336 19646
3989 1 10 . 1 1 83 83 ILE CA C 83 60.858 60.858 59.865 0.993 19646
3990 1 10 . 1 1 83 83 ILE CB C 83 38.347 38.347 40.261 -1.914 19646
3991 1 10 . 1 1 83 83 ILE H H 83 8.039 8.039 9.008 -0.969 19646
3992 1 10 . 1 1 84 84 GLY CA C 84 47.357 47.357 47.231 0.126 19646
3993 1 10 . 1 1 85 85 CYS N N 85 122.743 122.743 122.736 0.007 19646
3994 1 10 . 1 1 85 85 CYS HA H 85 4.929 4.929 5.025 -0.096 19646
3995 1 10 . 1 1 85 85 CYS CA C 85 58.558 58.558 56.070 2.488 19646
3996 1 10 . 1 1 85 85 CYS CB C 85 37.971 37.971 27.605 10.366 19646
3997 1 10 . 1 1 85 85 CYS H H 85 8.522 8.522 8.671 -0.149 19646
3998 1 10 . 1 1 86 86 ASN N N 86 121.768 121.768 119.318 2.450 19646
3999 1 10 . 1 1 86 86 ASN HA H 86 4.923 4.923 4.725 0.198 19646
4000 1 10 . 1 1 86 86 ASN CA C 86 53.858 53.858 51.504 2.354 19646
4001 1 10 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.589 1.040 19646
4002 1 10 . 1 1 86 86 ASN H H 86 8.165 8.165 8.113 0.052 19646
4003 1 10 . 1 1 87 87 THR N N 87 115.576 115.576 114.696 0.880 19646
4004 1 10 . 1 1 87 87 THR HA H 87 4.613 4.613 5.040 -0.427 19646
4005 1 10 . 1 1 87 87 THR CA C 87 62.341 62.341 61.599 0.742 19646
4006 1 10 . 1 1 87 87 THR CB C 87 70.460 70.460 70.759 -0.299 19646
4007 1 10 . 1 1 87 87 THR H H 87 8.250 8.250 8.266 -0.016 19646
4008 1 10 . 1 1 88 88 CYS N N 88 124.212 124.212 123.899 0.313 19646
4009 1 10 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.545 -0.001 19646
4010 1 10 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.106 -2.239 19646
4011 1 10 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.787 18.672 19646
4012 1 10 . 1 1 88 88 CYS H H 88 9.054 9.054 8.945 0.109 19646
4013 1 10 . 1 1 89 89 VAL N N 89 122.162 122.162 121.413 0.749 19646
4014 1 10 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.310 -0.264 19646
4015 1 10 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.584 0.006 19646
4016 1 10 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.275 -1.080 19646
4017 1 10 . 1 1 89 89 VAL H H 89 8.888 8.888 8.300 0.588 19646
4018 1 10 . 1 1 90 90 CYS N N 90 128.312 128.312 127.050 1.262 19646
4019 1 10 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.796 0.374 19646
4020 1 10 . 1 1 90 90 CYS CA C 90 54.727 54.727 58.960 -4.233 19646
4021 1 10 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.042 12.873 19646
4022 1 10 . 1 1 90 90 CYS H H 90 8.382 8.382 8.393 -0.011 19646
4023 1 10 . 1 1 91 91 ARG N N 91 132.067 132.067 125.710 6.357 19646
4024 1 10 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.504 -0.195 19646
4025 1 10 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.517 0.787 19646
4026 1 10 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.784 -0.901 19646
4027 1 10 . 1 1 91 91 ARG H H 91 9.051 9.051 9.045 0.006 19646
4028 1 10 . 1 1 92 92 ASP N N 92 128.437 128.437 127.139 1.298 19646
4029 1 10 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.292 -0.088 19646
4030 1 10 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.289 0.456 19646
4031 1 10 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.203 -0.061 19646
4032 1 10 . 1 1 92 92 ASP H H 92 9.328 9.328 9.047 0.281 19646
4033 1 10 . 1 1 93 93 ARG N N 93 108.225 108.225 109.808 -1.583 19646
4034 1 10 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.622 -0.348 19646
4035 1 10 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.934 0.467 19646
4036 1 10 . 1 1 93 93 ARG CB C 93 28.561 28.561 29.175 -0.614 19646
4037 1 10 . 1 1 93 93 ARG H H 93 8.607 8.607 8.507 0.100 19646
4038 1 10 . 1 1 94 94 LYS N N 94 121.587 121.587 116.954 4.633 19646
4039 1 10 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.592 -0.068 19646
4040 1 10 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.310 -0.435 19646
4041 1 10 . 1 1 94 94 LYS CB C 94 36.106 36.106 35.468 0.638 19646
4042 1 10 . 1 1 94 94 LYS H H 94 7.712 7.712 7.358 0.354 19646
4043 1 10 . 1 1 95 95 TRP N N 95 120.035 120.035 121.411 -1.376 19646
4044 1 10 . 1 1 95 95 TRP HA H 95 4.812 4.812 4.970 -0.158 19646
4045 1 10 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.091 -1.205 19646
4046 1 10 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.512 -0.256 19646
4047 1 10 . 1 1 95 95 TRP H H 95 8.366 8.366 8.651 -0.285 19646
4048 1 10 . 1 1 96 96 ASN N N 96 125.356 125.356 123.128 2.228 19646
4049 1 10 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.006 0.062 19646
4050 1 10 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.206 0.626 19646
4051 1 10 . 1 1 96 96 ASN CB C 96 39.532 39.532 40.026 -0.494 19646
4052 1 10 . 1 1 96 96 ASN H H 96 9.268 9.268 9.058 0.210 19646
4053 1 10 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.158 0.554 19646
4054 1 10 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.708 -2.900 19646
4055 1 10 . 1 1 97 97 CYS CB C 97 47.903 47.903 28.032 19.871 19646
4056 1 10 . 1 1 98 98 THR N N 98 112.700 112.700 119.532 -6.832 19646
4057 1 10 . 1 1 98 98 THR HA H 98 4.183 4.183 4.079 0.104 19646
4058 1 10 . 1 1 98 98 THR CA C 98 62.852 62.852 66.242 -3.390 19646
4059 1 10 . 1 1 98 98 THR CB C 98 70.176 70.176 69.226 0.950 19646
4060 1 10 . 1 1 98 98 THR H H 98 8.221 8.221 8.671 -0.450 19646
4061 1 10 . 1 1 99 99 ASP N N 99 120.286 120.286 115.033 5.253 19646
4062 1 10 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.171 0.478 19646
4063 1 10 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.040 -2.333 19646
4064 1 10 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.042 1.767 19646
4065 1 10 . 1 1 99 99 ASP H H 99 8.038 8.038 8.539 -0.501 19646
4066 1 10 . 1 1 100 100 HIS N N 100 120.257 120.257 116.238 4.019 19646
4067 1 10 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.321 0.334 19646
4068 1 10 . 1 1 100 100 HIS CA C 100 55.554 55.554 56.553 -0.999 19646
4069 1 10 . 1 1 100 100 HIS CB C 100 30.875 30.875 29.685 1.190 19646
4070 1 10 . 1 1 100 100 HIS H H 100 8.654 8.654 7.241 1.413 19646
4071 1 10 . 1 1 101 101 VAL N N 101 123.478 123.478 119.197 4.281 19646
4072 1 10 . 1 1 101 101 VAL HA H 101 3.982 3.982 4.085 -0.103 19646
4073 1 10 . 1 1 101 101 VAL CA C 101 62.929 62.929 63.432 -0.503 19646
4074 1 10 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.187 -0.344 19646
4075 1 10 . 1 1 101 101 VAL H H 101 8.687 8.687 8.224 0.463 19646
4076 1 10 . 1 1 102 102 CYS N N 102 125.981 125.981 128.013 -2.032 19646
4077 1 10 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.434 0.410 19646
4078 1 10 . 1 1 102 102 CYS CA C 102 52.964 52.964 59.399 -6.435 19646
4079 1 10 . 1 1 102 102 CYS CB C 102 37.591 37.591 24.294 13.297 19646
4080 1 10 . 1 1 102 102 CYS H H 102 8.700 8.700 8.774 -0.074 19646
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 76 3.238 -0.479 3.224 19646
2 1 1 "Average Difference" HA 96 0.314 -0.001 0.316 19646
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19646
4 1 1 "Average Difference" CA 89 1.511 0.377 1.471 19646
5 1 1 "Average Difference" CB 83 5.401 -2.150 4.984 19646
6 1 1 "Average Difference" HN 76 0.462 -0.060 0.461 19646
7 1 2 "Average Difference" N 76 3.242 -0.586 3.209 19646
8 1 2 "Average Difference" HA 96 0.303 0.025 0.304 19646
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19646
10 1 2 "Average Difference" CA 89 1.475 0.177 1.473 19646
11 1 2 "Average Difference" CB 83 5.320 -2.010 4.956 19646
12 1 2 "Average Difference" HN 76 0.503 -0.034 0.505 19646
13 1 3 "Average Difference" N 76 3.674 -0.848 3.599 19646
14 1 3 "Average Difference" HA 96 0.304 0.034 0.304 19646
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19646
16 1 3 "Average Difference" CA 89 1.491 0.231 1.482 19646
17 1 3 "Average Difference" CB 83 5.361 -2.075 4.974 19646
18 1 3 "Average Difference" HN 76 0.459 -0.030 0.461 19646
19 1 4 "Average Difference" N 76 3.489 -0.939 3.383 19646
20 1 4 "Average Difference" HA 96 0.331 0.005 0.333 19646
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19646
22 1 4 "Average Difference" CA 89 1.532 0.318 1.507 19646
23 1 4 "Average Difference" CB 83 5.536 -2.181 5.119 19646
24 1 4 "Average Difference" HN 76 0.516 -0.055 0.516 19646
25 1 5 "Average Difference" N 76 3.310 -0.697 3.258 19646
26 1 5 "Average Difference" HA 96 0.311 -0.002 0.312 19646
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19646
28 1 5 "Average Difference" CA 89 1.614 0.328 1.589 19646
29 1 5 "Average Difference" CB 83 5.495 -2.141 5.091 19646
30 1 5 "Average Difference" HN 76 0.550 -0.071 0.549 19646
31 1 6 "Average Difference" N 76 3.710 -0.478 3.703 19646
32 1 6 "Average Difference" HA 96 0.330 0.021 0.331 19646
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19646
34 1 6 "Average Difference" CA 89 1.417 0.293 1.394 19646
35 1 6 "Average Difference" CB 83 5.512 -2.100 5.127 19646
36 1 6 "Average Difference" HN 76 0.491 -0.038 0.492 19646
37 1 7 "Average Difference" N 76 3.255 -0.620 3.217 19646
38 1 7 "Average Difference" HA 96 0.315 0.003 0.316 19646
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19646
40 1 7 "Average Difference" CA 89 1.521 0.216 1.514 19646
41 1 7 "Average Difference" CB 83 5.525 -2.055 5.160 19646
42 1 7 "Average Difference" HN 76 0.525 -0.028 0.528 19646
43 1 8 "Average Difference" N 76 3.599 -0.666 3.560 19646
44 1 8 "Average Difference" HA 96 0.307 0.023 0.307 19646
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19646
46 1 8 "Average Difference" CA 89 1.499 0.256 1.486 19646
47 1 8 "Average Difference" CB 83 5.411 -2.141 5.000 19646
48 1 8 "Average Difference" HN 76 0.497 -0.078 0.494 19646
49 1 9 "Average Difference" N 76 3.508 -0.395 3.509 19646
50 1 9 "Average Difference" HA 96 0.329 0.014 0.330 19646
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19646
52 1 9 "Average Difference" CA 89 1.547 0.301 1.526 19646
53 1 9 "Average Difference" CB 83 5.470 -2.141 5.064 19646
54 1 9 "Average Difference" HN 76 0.482 -0.007 0.485 19646
55 1 10 "Average Difference" N 76 3.208 -0.589 3.175 19646
56 1 10 "Average Difference" HA 96 0.296 0.003 0.298 19646
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19646
58 1 10 "Average Difference" CA 89 1.632 0.323 1.608 19646
59 1 10 "Average Difference" CB 83 5.489 -2.177 5.070 19646
60 1 10 "Average Difference" HN 76 0.461 -0.088 0.456 19646
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 19646
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ALA HA H 2 4.314 4.314 4.324 -0.010 19646
2 1 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.723 -0.152 19646
3 1 . 1 1 2 2 ALA CB C 2 19.315 19.315 19.294 0.021 19646
4 1 . 1 1 3 3 MET HA H 3 4.438 4.438 4.476 -0.039 19646
5 1 . 1 1 3 3 MET CA C 3 55.752 55.752 55.351 0.401 19646
6 1 . 1 1 3 3 MET CB C 3 32.785 32.785 33.185 -0.400 19646
7 1 . 1 1 6 6 CYS N N 6 123.547 123.547 119.879 3.668 19646
8 1 . 1 1 6 6 CYS H H 6 8.184 8.184 8.207 -0.023 19646
9 1 . 1 1 8 8 PRO HA H 8 4.565 4.565 4.466 0.099 19646
10 1 . 1 1 8 8 PRO CA C 8 62.078 62.078 62.128 -0.050 19646
11 1 . 1 1 8 8 PRO CB C 8 30.636 30.636 31.301 -0.665 19646
12 1 . 1 1 9 9 PRO HA H 9 4.564 4.564 4.484 0.080 19646
13 1 . 1 1 9 9 PRO CA C 9 64.007 64.007 62.782 1.225 19646
14 1 . 1 1 9 9 PRO CB C 9 33.632 33.632 32.484 1.148 19646
15 1 . 1 1 10 10 MET N N 10 123.176 123.176 120.786 2.390 19646
16 1 . 1 1 10 10 MET HA H 10 4.346 4.346 4.663 -0.317 19646
17 1 . 1 1 10 10 MET CA C 10 57.932 57.932 55.849 2.082 19646
18 1 . 1 1 10 10 MET CB C 10 33.859 33.859 34.163 -0.304 19646
19 1 . 1 1 10 10 MET H H 10 8.759 8.759 8.511 0.248 19646
20 1 . 1 1 11 11 VAL N N 11 116.266 116.266 119.855 -3.588 19646
21 1 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.243 0.058 19646
22 1 . 1 1 11 11 VAL CA C 11 59.732 59.732 61.245 -1.513 19646
23 1 . 1 1 11 11 VAL CB C 11 35.145 35.145 32.659 2.486 19646
24 1 . 1 1 11 11 VAL H H 11 8.855 8.855 7.815 1.040 19646
25 1 . 1 1 12 12 LYS N N 12 125.383 125.383 127.594 -2.212 19646
26 1 . 1 1 12 12 LYS HA H 12 4.371 4.371 4.755 -0.384 19646
27 1 . 1 1 12 12 LYS CA C 12 56.715 56.715 55.862 0.853 19646
28 1 . 1 1 12 12 LYS CB C 12 33.170 33.170 33.147 0.023 19646
29 1 . 1 1 12 12 LYS H H 12 8.448 8.448 8.480 -0.032 19646
30 1 . 1 1 13 13 LEU N N 13 132.136 132.136 123.738 8.398 19646
31 1 . 1 1 13 13 LEU HA H 13 4.549 4.549 4.904 -0.355 19646
32 1 . 1 1 13 13 LEU CA C 13 54.112 54.112 54.281 -0.169 19646
33 1 . 1 1 13 13 LEU CB C 13 43.288 43.288 44.242 -0.954 19646
34 1 . 1 1 13 13 LEU H H 13 9.145 9.145 8.869 0.276 19646
35 1 . 1 1 14 14 VAL N N 14 127.590 127.590 118.031 9.559 19646
36 1 . 1 1 14 14 VAL HA H 14 4.149 4.149 4.480 -0.331 19646
37 1 . 1 1 14 14 VAL CA C 14 61.132 61.132 59.875 1.257 19646
38 1 . 1 1 14 14 VAL CB C 14 32.365 32.365 34.324 -1.959 19646
39 1 . 1 1 14 14 VAL H H 14 8.578 8.578 8.004 0.574 19646
40 1 . 1 1 15 15 CYS N N 15 129.201 129.201 123.351 5.850 19646
41 1 . 1 1 15 15 CYS HA H 15 4.291 4.291 4.779 -0.488 19646
42 1 . 1 1 15 15 CYS CA C 15 56.014 56.014 57.039 -1.025 19646
43 1 . 1 1 15 15 CYS CB C 15 40.082 40.082 26.018 14.064 19646
44 1 . 1 1 15 15 CYS H H 15 8.643 8.643 8.577 0.066 19646
45 1 . 1 1 16 16 PRO HA H 16 4.497 4.497 4.305 0.192 19646
46 1 . 1 1 16 16 PRO CA C 16 62.350 62.350 63.176 -0.826 19646
47 1 . 1 1 16 16 PRO CB C 16 32.151 32.151 32.348 -0.197 19646
48 1 . 1 1 17 17 ALA N N 17 124.507 124.507 121.518 2.989 19646
49 1 . 1 1 17 17 ALA HA H 17 4.120 4.120 4.084 0.036 19646
50 1 . 1 1 17 17 ALA CA C 17 53.417 53.417 54.174 -0.757 19646
51 1 . 1 1 17 17 ALA CB C 17 18.882 18.882 18.610 0.272 19646
52 1 . 1 1 17 17 ALA H H 17 8.553 8.553 8.298 0.255 19646
53 1 . 1 1 18 18 ASP N N 18 114.322 114.322 116.266 -1.944 19646
54 1 . 1 1 18 18 ASP HA H 18 4.505 4.505 4.716 -0.211 19646
55 1 . 1 1 18 18 ASP CA C 18 53.654 53.654 53.565 0.089 19646
56 1 . 1 1 18 18 ASP CB C 18 40.387 40.387 40.576 -0.189 19646
57 1 . 1 1 18 18 ASP H H 18 8.116 8.116 8.181 -0.065 19646
58 1 . 1 1 19 19 ASN N N 19 115.834 115.834 115.409 0.426 19646
59 1 . 1 1 19 19 ASN HA H 19 4.656 4.656 4.460 0.196 19646
60 1 . 1 1 19 19 ASN CA C 19 53.230 53.230 53.519 -0.289 19646
61 1 . 1 1 19 19 ASN CB C 19 38.076 38.076 37.511 0.565 19646
62 1 . 1 1 19 19 ASN H H 19 7.669 7.669 7.977 -0.308 19646
63 1 . 1 1 20 20 LEU HA H 20 4.287 4.287 4.470 -0.183 19646
64 1 . 1 1 20 20 LEU CA C 20 55.807 55.807 55.722 0.085 19646
65 1 . 1 1 20 20 LEU CB C 20 41.758 41.758 41.723 0.035 19646
66 1 . 1 1 21 21 ARG N N 21 117.867 117.867 119.928 -2.061 19646
67 1 . 1 1 21 21 ARG HA H 21 4.303 4.303 4.286 0.017 19646
68 1 . 1 1 21 21 ARG CA C 21 55.632 55.632 56.620 -0.988 19646
69 1 . 1 1 21 21 ARG CB C 21 29.732 29.732 30.338 -0.606 19646
70 1 . 1 1 21 21 ARG H H 21 7.897 7.897 7.997 -0.100 19646
71 1 . 1 1 22 22 ALA N N 22 123.746 123.746 121.674 2.072 19646
72 1 . 1 1 22 22 ALA HA H 22 4.215 4.215 4.461 -0.246 19646
73 1 . 1 1 22 22 ALA CA C 22 52.261 52.261 51.678 0.583 19646
74 1 . 1 1 22 22 ALA CB C 22 20.466 20.466 19.960 0.506 19646
75 1 . 1 1 22 22 ALA H H 22 7.345 7.345 7.981 -0.636 19646
76 1 . 1 1 23 23 GLU N N 23 119.157 119.157 118.996 0.161 19646
77 1 . 1 1 23 23 GLU HA H 23 4.542 4.542 4.220 0.322 19646
78 1 . 1 1 23 23 GLU CA C 23 56.544 56.544 56.671 -0.127 19646
79 1 . 1 1 23 23 GLU H H 23 8.061 8.061 8.475 -0.414 19646
80 1 . 1 1 25 25 LEU HA H 25 4.315 4.315 4.290 0.025 19646
81 1 . 1 1 25 25 LEU CA C 25 55.313 55.313 55.311 0.002 19646
82 1 . 1 1 25 25 LEU CB C 25 42.152 42.152 42.269 -0.117 19646
83 1 . 1 1 26 26 GLU N N 26 121.770 121.770 119.764 2.006 19646
84 1 . 1 1 26 26 GLU H H 26 8.165 8.165 8.278 -0.113 19646
85 1 . 1 1 28 28 THR CB C 28 70.366 70.366 70.212 0.154 19646
86 1 . 1 1 29 29 LYS N N 29 128.269 128.269 121.594 6.675 19646
87 1 . 1 1 29 29 LYS HA H 29 5.059 5.059 4.626 0.433 19646
88 1 . 1 1 29 29 LYS CA C 29 54.874 54.874 55.919 -1.045 19646
89 1 . 1 1 29 29 LYS CB C 29 34.598 34.598 33.536 1.062 19646
90 1 . 1 1 29 29 LYS H H 29 8.762 8.762 8.351 0.411 19646
91 1 . 1 1 30 30 THR N N 30 116.019 116.019 115.032 0.987 19646
92 1 . 1 1 30 30 THR HA H 30 5.450 5.450 4.866 0.584 19646
93 1 . 1 1 30 30 THR CA C 30 58.958 58.958 60.402 -1.444 19646
94 1 . 1 1 30 30 THR CB C 30 72.724 72.724 72.031 0.693 19646
95 1 . 1 1 30 30 THR H H 30 9.410 9.410 8.299 1.111 19646
96 1 . 1 1 31 31 CYS N N 31 115.821 115.821 121.352 -5.531 19646
97 1 . 1 1 31 31 CYS HA H 31 4.376 4.376 4.260 0.117 19646
98 1 . 1 1 31 31 CYS CA C 31 57.480 57.480 61.406 -3.926 19646
99 1 . 1 1 31 31 CYS CB C 31 36.316 36.316 26.078 10.238 19646
100 1 . 1 1 31 31 CYS H H 31 8.587 8.587 9.302 -0.715 19646
101 1 . 1 1 32 32 GLN N N 32 115.926 115.926 116.975 -1.049 19646
102 1 . 1 1 32 32 GLN HA H 32 4.127 4.127 4.200 -0.073 19646
103 1 . 1 1 32 32 GLN CA C 32 58.102 58.102 57.627 0.475 19646
104 1 . 1 1 32 32 GLN CB C 32 29.341 29.341 28.929 0.412 19646
105 1 . 1 1 32 32 GLN H H 32 8.303 8.303 8.290 0.013 19646
106 1 . 1 1 33 33 ASN N N 33 117.107 117.107 116.040 1.067 19646
107 1 . 1 1 33 33 ASN HA H 33 4.760 4.760 4.839 -0.079 19646
108 1 . 1 1 33 33 ASN CA C 33 51.927 51.927 52.946 -1.019 19646
109 1 . 1 1 33 33 ASN CB C 33 39.325 39.325 39.523 -0.198 19646
110 1 . 1 1 33 33 ASN H H 33 7.925 7.925 7.827 0.098 19646
111 1 . 1 1 34 34 TYR N N 34 120.190 120.190 121.638 -1.448 19646
112 1 . 1 1 34 34 TYR HA H 34 3.885 3.885 4.149 -0.263 19646
113 1 . 1 1 34 34 TYR CA C 34 63.779 63.779 61.441 2.338 19646
114 1 . 1 1 34 34 TYR CB C 34 39.078 39.078 38.659 0.419 19646
115 1 . 1 1 34 34 TYR H H 34 7.310 7.310 8.527 -1.217 19646
116 1 . 1 1 35 35 ASP N N 35 113.579 113.579 116.306 -2.727 19646
117 1 . 1 1 35 35 ASP HA H 35 4.507 4.507 4.577 -0.070 19646
118 1 . 1 1 35 35 ASP CA C 35 54.482 54.482 54.347 0.135 19646
119 1 . 1 1 35 35 ASP CB C 35 41.078 41.078 41.431 -0.353 19646
120 1 . 1 1 35 35 ASP H H 35 8.291 8.291 8.601 -0.310 19646
121 1 . 1 1 36 36 LEU N N 36 120.878 120.878 120.220 0.658 19646
122 1 . 1 1 36 36 LEU HA H 36 4.406 4.406 4.598 -0.192 19646
123 1 . 1 1 36 36 LEU CA C 36 53.959 53.959 53.161 0.798 19646
124 1 . 1 1 36 36 LEU CB C 36 42.569 42.569 44.317 -1.747 19646
125 1 . 1 1 36 36 LEU H H 36 7.787 7.787 7.363 0.424 19646
126 1 . 1 1 37 37 GLU N N 37 122.509 122.509 120.848 1.661 19646
127 1 . 1 1 37 37 GLU HA H 37 4.120 4.120 4.155 -0.035 19646
128 1 . 1 1 37 37 GLU CA C 37 56.295 56.295 56.944 -0.649 19646
129 1 . 1 1 37 37 GLU CB C 37 30.252 30.252 29.981 0.271 19646
130 1 . 1 1 37 37 GLU H H 37 8.490 8.490 8.390 0.100 19646
131 1 . 1 1 39 39 MET HA H 39 4.588 4.588 4.547 0.041 19646
132 1 . 1 1 39 39 MET CA C 39 54.180 54.180 55.701 -1.521 19646
133 1 . 1 1 39 39 MET CB C 39 31.754 31.754 33.075 -1.321 19646
134 1 . 1 1 40 40 SER N N 40 118.194 118.194 116.615 1.578 19646
135 1 . 1 1 40 40 SER HA H 40 4.288 4.288 4.328 -0.040 19646
136 1 . 1 1 40 40 SER CA C 40 58.207 58.207 59.103 -0.896 19646
137 1 . 1 1 40 40 SER CB C 40 63.324 63.324 62.869 0.455 19646
138 1 . 1 1 40 40 SER H H 40 8.374 8.374 8.378 -0.003 19646
139 1 . 1 1 41 41 MET HA H 41 4.677 4.677 4.466 0.211 19646
140 1 . 1 1 41 41 MET CA C 41 54.482 54.482 56.036 -1.554 19646
141 1 . 1 1 42 42 GLY N N 42 111.120 111.120 108.990 2.130 19646
142 1 . 1 1 42 42 GLY CA C 42 45.423 45.423 44.789 0.634 19646
143 1 . 1 1 42 42 GLY H H 42 8.035 8.035 8.183 -0.148 19646
144 1 . 1 1 43 43 CYS N N 43 126.270 126.270 120.683 5.587 19646
145 1 . 1 1 43 43 CYS HA H 43 4.556 4.556 4.417 0.139 19646
146 1 . 1 1 43 43 CYS CB C 43 38.600 38.600 25.660 12.940 19646
147 1 . 1 1 43 43 CYS H H 43 8.463 8.463 8.397 0.066 19646
148 1 . 1 1 44 44 VAL HA H 44 4.218 4.218 4.319 -0.101 19646
149 1 . 1 1 44 44 VAL CA C 44 62.334 62.334 61.062 1.272 19646
150 1 . 1 1 44 44 VAL CB C 44 34.050 34.050 34.584 -0.534 19646
151 1 . 1 1 45 45 SER N N 45 126.084 126.084 120.572 5.512 19646
152 1 . 1 1 45 45 SER HA H 45 4.528 4.528 4.602 -0.074 19646
153 1 . 1 1 45 45 SER CA C 45 59.211 59.211 59.058 0.153 19646
154 1 . 1 1 45 45 SER CB C 45 64.191 64.191 63.510 0.681 19646
155 1 . 1 1 45 45 SER H H 45 8.484 8.484 8.485 -0.001 19646
156 1 . 1 1 46 46 GLY N N 46 107.758 107.758 111.223 -3.464 19646
157 1 . 1 1 46 46 GLY CA C 46 45.758 45.758 45.114 0.644 19646
158 1 . 1 1 46 46 GLY H H 46 8.516 8.516 8.223 0.293 19646
159 1 . 1 1 47 47 CYS N N 47 120.532 120.532 119.772 0.760 19646
160 1 . 1 1 47 47 CYS HA H 47 5.227 5.227 5.690 -0.463 19646
161 1 . 1 1 47 47 CYS CA C 47 54.413 54.413 56.369 -1.956 19646
162 1 . 1 1 47 47 CYS CB C 47 41.276 41.276 27.764 13.512 19646
163 1 . 1 1 47 47 CYS H H 47 8.554 8.554 8.490 0.064 19646
164 1 . 1 1 48 48 LEU N N 48 125.794 125.794 123.010 2.784 19646
165 1 . 1 1 48 48 LEU HA H 48 4.686 4.686 4.825 -0.139 19646
166 1 . 1 1 48 48 LEU CA C 48 53.774 53.774 52.900 0.874 19646
167 1 . 1 1 48 48 LEU CB C 48 45.572 45.572 45.732 -0.160 19646
168 1 . 1 1 48 48 LEU H H 48 9.410 9.410 8.303 1.107 19646
169 1 . 1 1 49 49 CYS N N 49 119.162 119.162 118.407 0.755 19646
170 1 . 1 1 49 49 CYS HA H 49 4.522 4.522 4.808 -0.286 19646
171 1 . 1 1 49 49 CYS CA C 49 54.090 54.090 57.327 -3.237 19646
172 1 . 1 1 49 49 CYS CB C 49 36.633 36.633 27.268 9.365 19646
173 1 . 1 1 49 49 CYS H H 49 9.188 9.188 8.637 0.551 19646
174 1 . 1 1 52 52 GLY CA C 52 44.936 44.936 45.225 -0.289 19646
175 1 . 1 1 53 53 MET N N 53 118.736 118.736 119.090 -0.354 19646
176 1 . 1 1 53 53 MET HA H 53 5.043 5.043 5.183 -0.140 19646
177 1 . 1 1 53 53 MET CA C 53 54.425 54.425 54.078 0.347 19646
178 1 . 1 1 53 53 MET CB C 53 37.090 37.090 36.235 0.855 19646
179 1 . 1 1 53 53 MET H H 53 8.297 8.297 7.484 0.813 19646
180 1 . 1 1 54 54 VAL N N 54 113.319 113.319 114.382 -1.063 19646
181 1 . 1 1 54 54 VAL HA H 54 4.576 4.576 4.762 -0.186 19646
182 1 . 1 1 54 54 VAL CA C 54 58.879 58.879 59.160 -0.281 19646
183 1 . 1 1 54 54 VAL CB C 54 35.361 35.361 35.030 0.331 19646
184 1 . 1 1 54 54 VAL H H 54 9.126 9.126 8.797 0.329 19646
185 1 . 1 1 55 55 ARG N N 55 122.532 122.532 123.388 -0.857 19646
186 1 . 1 1 55 55 ARG HA H 55 4.980 4.980 4.653 0.326 19646
187 1 . 1 1 55 55 ARG CA C 55 55.602 55.602 56.004 -0.402 19646
188 1 . 1 1 55 55 ARG CB C 55 31.287 31.287 30.805 0.482 19646
189 1 . 1 1 55 55 ARG H H 55 8.490 8.490 8.623 -0.133 19646
190 1 . 1 1 56 56 HIS N N 56 126.203 126.203 124.830 1.373 19646
191 1 . 1 1 56 56 HIS HA H 56 4.858 4.858 4.879 -0.021 19646
192 1 . 1 1 56 56 HIS CA C 56 56.971 56.971 54.931 2.040 19646
193 1 . 1 1 56 56 HIS CB C 56 34.758 34.758 32.985 1.773 19646
194 1 . 1 1 56 56 HIS H H 56 9.100 9.100 9.407 -0.307 19646
195 1 . 1 1 57 57 GLU N N 57 125.530 125.530 128.308 -2.778 19646
196 1 . 1 1 57 57 GLU HA H 57 3.563 3.563 3.832 -0.269 19646
197 1 . 1 1 57 57 GLU CA C 57 57.676 57.676 57.335 0.341 19646
198 1 . 1 1 57 57 GLU CB C 57 26.921 26.921 27.966 -1.045 19646
199 1 . 1 1 57 57 GLU H H 57 8.953 8.953 9.282 -0.329 19646
200 1 . 1 1 58 58 ASN N N 58 114.182 114.182 110.525 3.657 19646
201 1 . 1 1 58 58 ASN HA H 58 4.407 4.407 4.372 0.035 19646
202 1 . 1 1 58 58 ASN CA C 58 53.973 53.973 54.372 -0.399 19646
203 1 . 1 1 58 58 ASN CB C 58 38.074 38.074 37.781 0.293 19646
204 1 . 1 1 58 58 ASN H H 58 8.687 8.687 8.525 0.162 19646
205 1 . 1 1 59 59 ARG N N 59 118.232 118.232 118.472 -0.240 19646
206 1 . 1 1 59 59 ARG HA H 59 4.750 4.750 4.689 0.061 19646
207 1 . 1 1 59 59 ARG CA C 59 54.554 54.554 54.760 -0.206 19646
208 1 . 1 1 59 59 ARG CB C 59 33.324 33.324 33.667 -0.343 19646
209 1 . 1 1 59 59 ARG H H 59 8.027 8.027 8.163 -0.136 19646
210 1 . 1 1 60 60 CYS N N 60 117.965 117.965 122.071 -4.106 19646
211 1 . 1 1 60 60 CYS HA H 60 5.477 5.477 5.493 -0.016 19646
212 1 . 1 1 60 60 CYS CA C 60 53.980 53.980 57.998 -4.018 19646
213 1 . 1 1 60 60 CYS CB C 60 40.976 40.976 26.905 14.071 19646
214 1 . 1 1 60 60 CYS H H 60 8.703 8.703 8.722 -0.019 19646
215 1 . 1 1 61 61 VAL N N 61 119.418 119.418 120.498 -1.080 19646
216 1 . 1 1 61 61 VAL HA H 61 4.625 4.625 4.581 0.044 19646
217 1 . 1 1 61 61 VAL CA C 61 58.996 58.996 59.441 -0.445 19646
218 1 . 1 1 61 61 VAL CB C 61 36.362 36.362 35.437 0.925 19646
219 1 . 1 1 61 61 VAL H H 61 9.671 9.671 8.743 0.928 19646
220 1 . 1 1 62 62 ALA N N 62 125.768 125.768 123.770 1.998 19646
221 1 . 1 1 62 62 ALA HA H 62 4.356 4.356 4.606 -0.250 19646
222 1 . 1 1 62 62 ALA CA C 62 52.418 52.418 51.785 0.633 19646
223 1 . 1 1 62 62 ALA CB C 62 18.618 18.618 19.945 -1.327 19646
224 1 . 1 1 62 62 ALA H H 62 8.552 8.552 8.348 0.204 19646
225 1 . 1 1 63 63 LEU N N 63 123.359 123.359 123.392 -0.033 19646
226 1 . 1 1 63 63 LEU HA H 63 3.782 3.782 3.836 -0.054 19646
227 1 . 1 1 63 63 LEU CA C 63 58.182 58.182 58.424 -0.242 19646
228 1 . 1 1 63 63 LEU CB C 63 42.411 42.411 41.210 1.201 19646
229 1 . 1 1 63 63 LEU H H 63 7.979 7.979 8.434 -0.455 19646
230 1 . 1 1 64 64 GLU N N 64 113.695 113.695 114.630 -0.935 19646
231 1 . 1 1 64 64 GLU HA H 64 4.025 4.025 3.978 0.047 19646
232 1 . 1 1 64 64 GLU CA C 64 58.502 58.502 58.568 -0.066 19646
233 1 . 1 1 64 64 GLU CB C 64 28.267 28.267 28.566 -0.299 19646
234 1 . 1 1 64 64 GLU H H 64 8.950 8.950 8.747 0.203 19646
235 1 . 1 1 65 65 ARG N N 65 118.469 118.469 117.556 0.913 19646
236 1 . 1 1 65 65 ARG HA H 65 4.245 4.245 4.426 -0.181 19646
237 1 . 1 1 65 65 ARG CA C 65 54.554 54.554 55.527 -0.973 19646
238 1 . 1 1 65 65 ARG CB C 65 29.158 29.158 30.952 -1.793 19646
239 1 . 1 1 65 65 ARG H H 65 8.153 8.153 7.780 0.372 19646
240 1 . 1 1 66 66 CYS N N 66 119.490 119.490 121.514 -2.024 19646
241 1 . 1 1 66 66 CYS HA H 66 4.224 4.224 4.326 -0.102 19646
242 1 . 1 1 66 66 CYS CA C 66 55.125 55.125 57.968 -2.844 19646
243 1 . 1 1 66 66 CYS CB C 66 37.198 37.198 26.553 10.646 19646
244 1 . 1 1 66 66 CYS H H 66 7.601 7.601 7.680 -0.079 19646
245 1 . 1 1 67 67 PRO HA H 67 4.437 4.437 4.218 0.219 19646
246 1 . 1 1 67 67 PRO CA C 67 62.458 62.458 62.469 -0.011 19646
247 1 . 1 1 67 67 PRO CB C 67 33.668 33.668 32.023 1.646 19646
248 1 . 1 1 68 68 CYS N N 68 112.961 112.961 117.154 -4.193 19646
249 1 . 1 1 68 68 CYS HA H 68 4.328 4.328 4.691 -0.363 19646
250 1 . 1 1 68 68 CYS CA C 68 56.386 56.386 57.118 -0.732 19646
251 1 . 1 1 68 68 CYS CB C 68 42.435 42.435 30.028 12.407 19646
252 1 . 1 1 68 68 CYS H H 68 8.424 8.424 8.427 -0.003 19646
253 1 . 1 1 69 69 PHE N N 69 118.787 118.787 118.872 -0.085 19646
254 1 . 1 1 69 69 PHE HA H 69 5.831 5.831 5.961 -0.130 19646
255 1 . 1 1 69 69 PHE CA C 69 57.124 57.124 57.035 0.089 19646
256 1 . 1 1 69 69 PHE CB C 69 42.551 42.551 42.206 0.345 19646
257 1 . 1 1 69 69 PHE H H 69 8.799 8.799 9.003 -0.204 19646
258 1 . 1 1 70 70 HIS N N 70 123.887 123.887 123.968 -0.081 19646
259 1 . 1 1 70 70 HIS HA H 70 4.968 4.968 4.828 0.141 19646
260 1 . 1 1 70 70 HIS CA C 70 57.755 57.755 55.915 1.840 19646
261 1 . 1 1 70 70 HIS CB C 70 33.828 33.828 31.827 2.002 19646
262 1 . 1 1 70 70 HIS H H 70 9.441 9.441 9.711 -0.270 19646
263 1 . 1 1 71 71 GLN HA H 71 3.733 3.733 3.953 -0.220 19646
264 1 . 1 1 71 71 GLN CA C 71 56.512 56.512 56.291 0.221 19646
265 1 . 1 1 71 71 GLN CB C 71 26.732 26.732 27.403 -0.671 19646
266 1 . 1 1 72 72 GLY N N 72 104.219 104.219 102.758 1.461 19646
267 1 . 1 1 72 72 GLY CA C 72 45.486 45.486 45.289 0.197 19646
268 1 . 1 1 72 72 GLY H H 72 8.665 8.665 8.583 0.082 19646
269 1 . 1 1 73 73 LYS N N 73 122.208 122.208 121.667 0.541 19646
270 1 . 1 1 73 73 LYS HA H 73 4.670 4.670 4.548 0.122 19646
271 1 . 1 1 73 73 LYS CA C 73 54.931 54.931 55.008 -0.077 19646
272 1 . 1 1 73 73 LYS CB C 73 35.124 35.124 34.297 0.827 19646
273 1 . 1 1 73 73 LYS H H 73 7.951 7.951 7.905 0.046 19646
274 1 . 1 1 74 74 GLU N N 74 122.599 122.599 122.332 0.267 19646
275 1 . 1 1 74 74 GLU HA H 74 4.322 4.322 5.020 -0.698 19646
276 1 . 1 1 74 74 GLU CA C 74 55.614 55.614 55.399 0.215 19646
277 1 . 1 1 74 74 GLU CB C 74 31.797 31.797 31.023 0.774 19646
278 1 . 1 1 74 74 GLU H H 74 8.216 8.216 8.495 -0.279 19646
279 1 . 1 1 75 75 TYR N N 75 124.173 124.173 124.110 0.063 19646
280 1 . 1 1 75 75 TYR HA H 75 4.431 4.431 4.821 -0.390 19646
281 1 . 1 1 75 75 TYR CA C 75 57.231 57.231 56.656 0.575 19646
282 1 . 1 1 75 75 TYR CB C 75 41.874 41.874 42.016 -0.142 19646
283 1 . 1 1 75 75 TYR H H 75 8.937 8.937 9.197 -0.260 19646
284 1 . 1 1 76 76 ALA N N 76 124.606 124.606 121.052 3.554 19646
285 1 . 1 1 76 76 ALA HA H 76 4.357 4.357 4.693 -0.336 19646
286 1 . 1 1 76 76 ALA CA C 76 49.933 49.933 49.207 0.726 19646
287 1 . 1 1 76 76 ALA CB C 76 17.807 17.807 19.462 -1.655 19646
288 1 . 1 1 76 76 ALA H H 76 8.676 8.676 9.019 -0.343 19646
289 1 . 1 1 77 77 PRO HA H 77 3.854 3.854 3.990 -0.137 19646
290 1 . 1 1 77 77 PRO CA C 77 63.884 63.884 63.615 0.269 19646
291 1 . 1 1 77 77 PRO CB C 77 31.167 31.167 31.235 -0.068 19646
292 1 . 1 1 78 78 GLY N N 78 113.317 113.317 113.076 0.241 19646
293 1 . 1 1 78 78 GLY CA C 78 44.966 44.966 44.992 -0.026 19646
294 1 . 1 1 78 78 GLY H H 78 9.487 9.487 8.697 0.790 19646
295 1 . 1 1 79 79 GLU N N 79 120.804 120.804 121.572 -0.768 19646
296 1 . 1 1 79 79 GLU HA H 79 4.486 4.486 4.495 -0.009 19646
297 1 . 1 1 79 79 GLU CA C 79 57.610 57.610 55.819 1.791 19646
298 1 . 1 1 79 79 GLU CB C 79 31.261 31.261 31.127 0.134 19646
299 1 . 1 1 79 79 GLU H H 79 8.254 8.254 7.664 0.590 19646
300 1 . 1 1 80 80 THR N N 80 110.916 110.916 116.655 -5.739 19646
301 1 . 1 1 80 80 THR HA H 80 5.752 5.752 5.523 0.229 19646
302 1 . 1 1 80 80 THR CA C 80 59.984 59.984 59.624 0.360 19646
303 1 . 1 1 80 80 THR CB C 80 72.217 72.217 70.584 1.633 19646
304 1 . 1 1 80 80 THR H H 80 8.132 8.132 8.333 -0.201 19646
305 1 . 1 1 81 81 VAL N N 81 117.320 117.320 118.203 -0.883 19646
306 1 . 1 1 81 81 VAL HA H 81 4.204 4.204 4.536 -0.332 19646
307 1 . 1 1 81 81 VAL CA C 81 59.688 59.688 59.594 0.094 19646
308 1 . 1 1 81 81 VAL CB C 81 35.482 35.482 35.397 0.085 19646
309 1 . 1 1 81 81 VAL H H 81 8.459 8.459 9.032 -0.573 19646
310 1 . 1 1 82 82 LYS N N 82 123.511 123.511 124.412 -0.901 19646
311 1 . 1 1 82 82 LYS HA H 82 4.811 4.811 4.561 0.250 19646
312 1 . 1 1 82 82 LYS CA C 82 54.855 54.855 55.509 -0.654 19646
313 1 . 1 1 82 82 LYS CB C 82 33.297 33.297 33.299 -0.001 19646
314 1 . 1 1 82 82 LYS H H 82 8.017 8.017 8.350 -0.333 19646
315 1 . 1 1 83 83 ILE N N 83 125.653 125.653 126.934 -1.281 19646
316 1 . 1 1 83 83 ILE HA H 83 3.995 3.995 4.268 -0.273 19646
317 1 . 1 1 83 83 ILE CA C 83 60.858 60.858 60.289 0.569 19646
318 1 . 1 1 83 83 ILE CB C 83 38.347 38.347 39.617 -1.269 19646
319 1 . 1 1 83 83 ILE H H 83 8.039 8.039 9.118 -1.079 19646
320 1 . 1 1 84 84 GLY CA C 84 47.357 47.357 46.204 1.153 19646
321 1 . 1 1 85 85 CYS N N 85 122.743 122.743 120.436 2.307 19646
322 1 . 1 1 85 85 CYS HA H 85 4.929 4.929 4.333 0.596 19646
323 1 . 1 1 85 85 CYS CA C 85 58.558 58.558 58.468 0.090 19646
324 1 . 1 1 85 85 CYS CB C 85 37.971 37.971 26.307 11.664 19646
325 1 . 1 1 85 85 CYS H H 85 8.522 8.522 8.553 -0.031 19646
326 1 . 1 1 86 86 ASN N N 86 121.768 121.768 119.143 2.625 19646
327 1 . 1 1 86 86 ASN HA H 86 4.923 4.923 5.102 -0.179 19646
328 1 . 1 1 86 86 ASN CA C 86 53.858 53.858 52.347 1.511 19646
329 1 . 1 1 86 86 ASN CB C 86 41.629 41.629 40.990 0.639 19646
330 1 . 1 1 86 86 ASN H H 86 8.165 8.165 8.135 0.030 19646
331 1 . 1 1 87 87 THR N N 87 115.576 115.576 116.947 -1.371 19646
332 1 . 1 1 87 87 THR HA H 87 4.613 4.613 5.115 -0.502 19646
333 1 . 1 1 87 87 THR CA C 87 62.341 62.341 61.218 1.123 19646
334 1 . 1 1 87 87 THR CB C 87 70.460 70.460 70.783 -0.323 19646
335 1 . 1 1 87 87 THR H H 87 8.250 8.250 8.314 -0.064 19646
336 1 . 1 1 88 88 CYS N N 88 124.212 124.212 123.769 0.443 19646
337 1 . 1 1 88 88 CYS HA H 88 5.544 5.544 5.493 0.051 19646
338 1 . 1 1 88 88 CYS CA C 88 54.867 54.867 57.430 -2.563 19646
339 1 . 1 1 88 88 CYS CB C 88 50.459 50.459 31.946 18.513 19646
340 1 . 1 1 88 88 CYS H H 88 9.054 9.054 9.015 0.039 19646
341 1 . 1 1 89 89 VAL N N 89 122.162 122.162 121.269 0.893 19646
342 1 . 1 1 89 89 VAL HA H 89 5.046 5.046 5.322 -0.276 19646
343 1 . 1 1 89 89 VAL CA C 89 59.590 59.590 59.692 -0.102 19646
344 1 . 1 1 89 89 VAL CB C 89 35.195 35.195 36.169 -0.974 19646
345 1 . 1 1 89 89 VAL H H 89 8.888 8.888 8.348 0.540 19646
346 1 . 1 1 90 90 CYS N N 90 128.312 128.312 128.303 0.009 19646
347 1 . 1 1 90 90 CYS HA H 90 4.170 4.170 3.886 0.284 19646
348 1 . 1 1 90 90 CYS CA C 90 54.727 54.727 58.091 -3.364 19646
349 1 . 1 1 90 90 CYS CB C 90 36.915 36.915 24.485 12.430 19646
350 1 . 1 1 90 90 CYS H H 90 8.382 8.382 8.414 -0.032 19646
351 1 . 1 1 91 91 ARG N N 91 132.067 132.067 128.069 3.998 19646
352 1 . 1 1 91 91 ARG HA H 91 4.309 4.309 4.540 -0.231 19646
353 1 . 1 1 91 91 ARG CA C 91 56.304 56.304 55.345 0.959 19646
354 1 . 1 1 91 91 ARG CB C 91 32.883 32.883 33.778 -0.895 19646
355 1 . 1 1 91 91 ARG H H 91 9.051 9.051 9.062 -0.011 19646
356 1 . 1 1 92 92 ASP N N 92 128.437 128.437 126.269 2.168 19646
357 1 . 1 1 92 92 ASP HA H 92 4.204 4.204 4.300 -0.096 19646
358 1 . 1 1 92 92 ASP CA C 92 55.745 55.745 55.159 0.586 19646
359 1 . 1 1 92 92 ASP CB C 92 39.142 39.142 39.536 -0.394 19646
360 1 . 1 1 92 92 ASP H H 92 9.328 9.328 8.995 0.333 19646
361 1 . 1 1 93 93 ARG N N 93 108.225 108.225 111.479 -3.254 19646
362 1 . 1 1 93 93 ARG HA H 93 3.274 3.274 3.681 -0.408 19646
363 1 . 1 1 93 93 ARG CA C 93 58.401 58.401 57.899 0.502 19646
364 1 . 1 1 93 93 ARG CB C 93 28.561 28.561 28.836 -0.275 19646
365 1 . 1 1 93 93 ARG H H 93 8.607 8.607 8.528 0.079 19646
366 1 . 1 1 94 94 LYS N N 94 121.587 121.587 117.576 4.011 19646
367 1 . 1 1 94 94 LYS HA H 94 4.524 4.524 4.544 -0.020 19646
368 1 . 1 1 94 94 LYS CA C 94 53.875 53.875 54.376 -0.500 19646
369 1 . 1 1 94 94 LYS CB C 94 36.106 36.106 35.976 0.130 19646
370 1 . 1 1 94 94 LYS H H 94 7.712 7.712 7.314 0.398 19646
371 1 . 1 1 95 95 TRP N N 95 120.035 120.035 121.627 -1.592 19646
372 1 . 1 1 95 95 TRP HA H 95 4.812 4.812 5.021 -0.209 19646
373 1 . 1 1 95 95 TRP CA C 95 55.886 55.886 57.016 -1.130 19646
374 1 . 1 1 95 95 TRP CB C 95 30.257 30.257 30.622 -0.365 19646
375 1 . 1 1 95 95 TRP H H 95 8.366 8.366 8.592 -0.227 19646
376 1 . 1 1 96 96 ASN N N 96 125.356 125.356 123.185 2.171 19646
377 1 . 1 1 96 96 ASN HA H 96 5.068 5.068 5.023 0.045 19646
378 1 . 1 1 96 96 ASN CA C 96 52.832 52.832 52.275 0.557 19646
379 1 . 1 1 96 96 ASN CB C 96 39.532 39.532 39.950 -0.418 19646
380 1 . 1 1 96 96 ASN H H 96 9.268 9.268 8.949 0.319 19646
381 1 . 1 1 97 97 CYS HA H 97 5.712 5.712 5.082 0.630 19646
382 1 . 1 1 97 97 CYS CA C 97 55.808 55.808 58.795 -2.987 19646
383 1 . 1 1 97 97 CYS CB C 97 47.903 47.903 27.840 20.063 19646
384 1 . 1 1 98 98 THR N N 98 112.700 112.700 119.545 -6.845 19646
385 1 . 1 1 98 98 THR HA H 98 4.183 4.183 4.028 0.155 19646
386 1 . 1 1 98 98 THR CA C 98 62.852 62.852 65.562 -2.710 19646
387 1 . 1 1 98 98 THR CB C 98 70.176 70.176 68.957 1.220 19646
388 1 . 1 1 98 98 THR H H 98 8.221 8.221 8.864 -0.643 19646
389 1 . 1 1 99 99 ASP N N 99 120.286 120.286 116.705 3.581 19646
390 1 . 1 1 99 99 ASP HA H 99 4.649 4.649 4.338 0.311 19646
391 1 . 1 1 99 99 ASP CA C 99 52.707 52.707 55.304 -2.597 19646
392 1 . 1 1 99 99 ASP CB C 99 40.809 40.809 39.483 1.326 19646
393 1 . 1 1 99 99 ASP H H 99 8.038 8.038 8.608 -0.570 19646
394 1 . 1 1 100 100 HIS N N 100 120.257 120.257 114.298 5.959 19646
395 1 . 1 1 100 100 HIS HA H 100 4.655 4.655 4.524 0.131 19646
396 1 . 1 1 100 100 HIS CA C 100 55.554 55.554 55.149 0.405 19646
397 1 . 1 1 100 100 HIS CB C 100 30.875 30.875 30.405 0.470 19646
398 1 . 1 1 100 100 HIS H H 100 8.654 8.654 7.685 0.968 19646
399 1 . 1 1 101 101 VAL N N 101 123.478 123.478 119.929 3.549 19646
400 1 . 1 1 101 101 VAL HA H 101 3.982 3.982 3.940 0.042 19646
401 1 . 1 1 101 101 VAL CA C 101 62.929 62.929 63.014 -0.086 19646
402 1 . 1 1 101 101 VAL CB C 101 31.843 31.843 32.398 -0.555 19646
403 1 . 1 1 101 101 VAL H H 101 8.687 8.687 8.301 0.386 19646
404 1 . 1 1 102 102 CYS N N 102 125.981 125.981 127.093 -1.112 19646
405 1 . 1 1 102 102 CYS HA H 102 4.844 4.844 4.362 0.482 19646
406 1 . 1 1 102 102 CYS CA C 102 52.964 52.964 58.315 -5.351 19646
407 1 . 1 1 102 102 CYS CB C 102 37.591 37.591 25.564 12.027 19646
408 1 . 1 1 102 102 CYS H H 102 8.700 8.700 8.633 0.067 19646
stop_
save_