data_19237
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19237
_Entry.PDB_ID 1923
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 19237
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.262 0.867 19237
2 1 1 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.894 -1.227 19237
3 1 1 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.461 3.616 19237
4 1 1 . 1 1 3 3 LEU H H 3 8.460 8.460 8.286 0.174 19237
5 1 1 . 1 1 4 4 CYS N N 4 122.129 122.129 124.835 -2.706 19237
6 1 1 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.570 0.564 19237
7 1 1 . 1 1 4 4 CYS CA C 4 60.428 60.428 59.093 1.335 19237
8 1 1 . 1 1 4 4 CYS H H 4 9.717 9.717 8.860 0.857 19237
9 1 1 . 1 1 5 5 GLU N N 5 122.663 122.663 126.431 -3.768 19237
10 1 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.677 -0.198 19237
11 1 1 . 1 1 5 5 GLU H H 5 8.801 8.801 8.802 -0.001 19237
12 1 1 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.816 -0.054 19237
13 1 1 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.537 1.418 19237
14 1 1 . 1 1 6 6 LYS H H 6 9.057 9.057 8.920 0.137 19237
15 1 1 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.385 0.083 19237
16 1 1 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.904 1.486 19237
17 1 1 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.820 1.176 19237
18 1 1 . 1 1 8 8 SER HA H 8 4.751 4.751 4.319 0.432 19237
19 1 1 . 1 1 8 8 SER CA C 8 59.388 59.388 60.344 -0.956 19237
20 1 1 . 1 1 8 8 SER CB C 8 65.016 65.016 63.329 1.687 19237
21 1 1 . 1 1 8 8 SER H H 8 8.628 8.628 8.218 0.410 19237
22 1 1 . 1 1 9 9 GLY N N 9 119.742 119.742 113.273 6.469 19237
23 1 1 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.927 0.349 19237
24 1 1 . 1 1 9 9 GLY H H 9 10.642 10.642 8.918 1.724 19237
25 1 1 . 1 1 10 10 THR N N 10 109.252 109.252 111.058 -1.806 19237
26 1 1 . 1 1 10 10 THR HA H 10 4.506 4.506 4.466 0.040 19237
27 1 1 . 1 1 10 10 THR CA C 10 63.146 63.146 61.547 1.599 19237
28 1 1 . 1 1 10 10 THR CB C 10 71.462 71.462 69.880 1.582 19237
29 1 1 . 1 1 10 10 THR H H 10 8.204 8.204 7.883 0.321 19237
30 1 1 . 1 1 11 11 TRP N N 11 125.850 125.850 123.229 2.621 19237
31 1 1 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.779 -0.653 19237
32 1 1 . 1 1 11 11 TRP CA C 11 59.332 59.332 57.813 1.519 19237
33 1 1 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.718 -1.690 19237
34 1 1 . 1 1 11 11 TRP H H 11 8.151 8.151 7.850 0.301 19237
35 1 1 . 1 1 12 12 SER N N 12 123.082 123.082 115.808 7.274 19237
36 1 1 . 1 1 12 12 SER HA H 12 4.642 4.642 4.748 -0.106 19237
37 1 1 . 1 1 12 12 SER CA C 12 57.769 57.769 57.830 -0.061 19237
38 1 1 . 1 1 12 12 SER CB C 12 65.589 65.589 66.049 -0.460 19237
39 1 1 . 1 1 12 12 SER H H 12 7.364 7.364 8.057 -0.693 19237
40 1 1 . 1 1 13 13 GLY N N 13 111.342 111.342 110.413 0.929 19237
41 1 1 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.614 0.370 19237
42 1 1 . 1 1 13 13 GLY H H 13 8.403 8.403 8.190 0.213 19237
43 1 1 . 1 1 14 14 VAL N N 14 119.976 119.976 122.108 -2.132 19237
44 1 1 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.195 -0.130 19237
45 1 1 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.950 1.473 19237
46 1 1 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.074 0.463 19237
47 1 1 . 1 1 14 14 VAL H H 14 8.540 8.540 8.303 0.237 19237
48 1 1 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.090 -0.144 19237
49 1 1 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.237 -0.318 19237
50 1 1 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.884 10.777 19237
51 1 1 . 1 1 15 15 CYS H H 15 8.289 8.289 8.180 0.109 19237
52 1 1 . 1 1 16 16 GLY N N 16 114.030 114.030 113.141 0.889 19237
53 1 1 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.124 0.684 19237
54 1 1 . 1 1 16 16 GLY H H 16 8.610 8.610 8.789 -0.179 19237
55 1 1 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.792 0.084 19237
56 1 1 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.644 0.711 19237
57 1 1 . 1 1 17 17 ASN H H 17 7.335 7.335 7.571 -0.236 19237
58 1 1 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.683 -0.431 19237
59 1 1 . 1 1 18 18 ASN CB C 18 39.481 39.481 39.463 0.018 19237
60 1 1 . 1 1 18 18 ASN H H 18 9.056 9.056 8.616 0.440 19237
61 1 1 . 1 1 19 19 GLY N N 19 107.723 107.723 109.929 -2.206 19237
62 1 1 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.532 1.438 19237
63 1 1 . 1 1 19 19 GLY H H 19 8.565 8.565 8.399 0.166 19237
64 1 1 . 1 1 20 20 ALA N N 20 124.931 124.931 124.977 -0.046 19237
65 1 1 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.255 0.103 19237
66 1 1 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.884 0.874 19237
67 1 1 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.357 1.177 19237
68 1 1 . 1 1 20 20 ALA H H 20 7.949 7.949 8.413 -0.464 19237
69 1 1 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.935 0.239 19237
70 1 1 . 1 1 21 21 CYS CA C 21 59.283 59.283 63.111 -3.828 19237
71 1 1 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.942 12.860 19237
72 1 1 . 1 1 21 21 CYS H H 21 7.335 7.335 8.115 -0.780 19237
73 1 1 . 1 1 22 22 ARG N N 22 122.243 122.243 120.604 1.639 19237
74 1 1 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.757 -0.508 19237
75 1 1 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.969 -5.920 19237
76 1 1 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.897 -0.149 19237
77 1 1 . 1 1 22 22 ARG H H 22 8.494 8.494 8.125 0.369 19237
78 1 1 . 1 1 23 23 ASN N N 23 114.938 114.938 117.577 -2.639 19237
79 1 1 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.333 0.066 19237
80 1 1 . 1 1 23 23 ASN H H 23 8.271 8.271 8.608 -0.337 19237
81 1 1 . 1 1 24 24 GLN N N 24 120.890 120.890 119.784 1.106 19237
82 1 1 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.054 0.053 19237
83 1 1 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.083 -0.119 19237
84 1 1 . 1 1 24 24 GLN H H 24 8.221 8.221 8.140 0.081 19237
85 1 1 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.236 0.005 19237
86 1 1 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.027 -2.662 19237
87 1 1 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.608 12.424 19237
88 1 1 . 1 1 25 25 CYS H H 25 8.747 8.747 8.183 0.564 19237
89 1 1 . 1 1 26 26 ILE N N 26 119.696 119.696 122.058 -2.362 19237
90 1 1 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.199 -0.347 19237
91 1 1 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.561 2.470 19237
92 1 1 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.637 3.715 19237
93 1 1 . 1 1 26 26 ILE H H 26 8.198 8.198 8.251 -0.053 19237
94 1 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.263 -0.122 19237
95 1 1 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.008 1.499 19237
96 1 1 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.242 1.800 19237
97 1 1 . 1 1 27 27 ARG H H 27 8.736 8.736 7.858 0.878 19237
98 1 1 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.366 0.355 19237
99 1 1 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.879 -0.258 19237
100 1 1 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.458 1.264 19237
101 1 1 . 1 1 28 28 LEU H H 28 8.572 8.572 8.373 0.199 19237
102 1 1 . 1 1 29 29 GLU N N 29 115.746 115.746 116.462 -0.716 19237
103 1 1 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.480 0.330 19237
104 1 1 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.157 0.785 19237
105 1 1 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.403 0.645 19237
106 1 1 . 1 1 29 29 GLU H H 29 7.032 7.032 7.785 -0.753 19237
107 1 1 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.135 0.111 19237
108 1 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.140 1.063 19237
109 1 1 . 1 1 30 30 LYS H H 30 7.475 7.475 7.620 -0.145 19237
110 1 1 . 1 1 31 31 ALA N N 31 120.618 120.618 120.225 0.393 19237
111 1 1 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.827 0.182 19237
112 1 1 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.277 0.530 19237
113 1 1 . 1 1 31 31 ALA CB C 31 14.022 14.022 19.971 -5.949 19237
114 1 1 . 1 1 31 31 ALA H H 31 7.974 7.974 8.089 -0.115 19237
115 1 1 . 1 1 32 32 ARG N N 32 113.739 113.739 121.523 -7.784 19237
116 1 1 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.389 0.093 19237
117 1 1 . 1 1 32 32 ARG H H 32 8.230 8.230 8.311 -0.081 19237
118 1 1 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.773 -0.023 19237
119 1 1 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.587 0.854 19237
120 1 1 . 1 1 33 33 HIS H H 33 7.683 7.683 7.643 0.040 19237
121 1 1 . 1 1 34 34 GLY N N 34 110.723 110.723 107.920 2.803 19237
122 1 1 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.879 2.578 19237
123 1 1 . 1 1 34 34 GLY H H 34 6.313 6.313 7.415 -1.102 19237
124 1 1 . 1 1 35 35 SER HA H 35 4.118 4.118 4.636 -0.518 19237
125 1 1 . 1 1 35 35 SER CA C 35 61.816 61.816 57.142 4.674 19237
126 1 1 . 1 1 35 35 SER CB C 35 73.315 73.315 65.919 7.396 19237
127 1 1 . 1 1 35 35 SER H H 35 9.075 9.075 8.576 0.499 19237
128 1 1 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.110 0.345 19237
129 1 1 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.061 -4.228 19237
130 1 1 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.531 11.728 19237
131 1 1 . 1 1 36 36 CYS H H 36 8.552 8.552 9.379 -0.827 19237
132 1 1 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.669 0.330 19237
133 1 1 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.062 -0.974 19237
134 1 1 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.978 2.772 19237
135 1 1 . 1 1 37 37 ASN H H 37 9.079 9.079 8.160 0.919 19237
136 1 1 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.373 -0.165 19237
137 1 1 . 1 1 38 38 TYR H H 38 8.829 8.829 8.663 0.166 19237
138 1 1 . 1 1 39 39 VAL HA H 39 3.887 3.887 4.122 -0.235 19237
139 1 1 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.756 4.106 19237
140 1 1 . 1 1 39 39 VAL H H 39 7.680 7.680 7.807 -0.127 19237
141 1 1 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.690 0.266 19237
142 1 1 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.266 0.299 19237
143 1 1 . 1 1 40 40 PHE H H 40 8.441 8.441 8.000 0.441 19237
144 1 1 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.791 0.077 19237
145 1 1 . 1 1 41 41 PRO CA C 41 62.617 62.617 62.051 0.566 19237
146 1 1 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.736 0.041 19237
147 1 1 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.918 1.680 19237
148 1 1 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.859 1.409 19237
149 1 1 . 1 1 42 42 ALA H H 42 8.286 8.286 7.446 0.840 19237
150 1 1 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.140 -0.186 19237
151 1 1 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.686 -0.089 19237
152 1 1 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.684 0.521 19237
153 1 1 . 1 1 43 43 HIS H H 43 8.588 8.588 8.761 -0.173 19237
154 1 1 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.833 -0.166 19237
155 1 1 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.551 2.013 19237
156 1 1 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.265 0.753 19237
157 1 1 . 1 1 44 44 LYS H H 44 8.825 8.825 8.969 -0.144 19237
158 1 1 . 1 1 45 45 CYS N N 45 120.533 120.533 121.634 -1.101 19237
159 1 1 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.409 0.305 19237
160 1 1 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.737 9.683 19237
161 1 1 . 1 1 45 45 CYS H H 45 9.154 9.154 8.676 0.478 19237
162 1 1 . 1 1 46 46 ILE N N 46 133.530 133.530 128.984 4.546 19237
163 1 1 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.435 -0.276 19237
164 1 1 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.975 -0.025 19237
165 1 1 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.607 -1.256 19237
166 1 1 . 1 1 46 46 ILE H H 46 8.773 8.773 9.141 -0.368 19237
167 1 1 . 1 1 47 47 CYS N N 47 120.445 120.445 126.535 -6.090 19237
168 1 1 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.683 0.658 19237
169 1 1 . 1 1 47 47 CYS CA C 47 52.088 52.088 57.937 -5.848 19237
170 1 1 . 1 1 47 47 CYS H H 47 8.520 8.520 8.921 -0.401 19237
171 1 1 . 1 1 48 48 TYR N N 48 116.569 116.569 120.076 -3.507 19237
172 1 1 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.704 0.576 19237
173 1 1 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.693 1.210 19237
174 1 1 . 1 1 48 48 TYR CB C 48 42.520 42.520 40.072 2.448 19237
175 1 1 . 1 1 48 48 TYR H H 48 7.870 7.870 9.290 -1.420 19237
176 1 1 . 1 1 49 49 PHE N N 49 122.029 122.029 122.187 -0.158 19237
177 1 1 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.994 -0.033 19237
178 1 1 . 1 1 49 49 PHE H H 49 9.162 9.162 8.797 0.365 19237
179 1 1 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.381 0.513 19237
180 1 1 . 1 1 50 50 PRO CA C 50 64.668 64.668 64.077 0.591 19237
181 1 1 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.802 1.116 19237
182 1 2 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.481 0.648 19237
183 1 2 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.659 0.008 19237
184 1 2 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.744 3.333 19237
185 1 2 . 1 1 3 3 LEU H H 3 8.460 8.460 8.250 0.210 19237
186 1 2 . 1 1 4 4 CYS N N 4 122.129 122.129 122.423 -0.294 19237
187 1 2 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.749 0.385 19237
188 1 2 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.773 1.655 19237
189 1 2 . 1 1 4 4 CYS H H 4 9.717 9.717 8.960 0.757 19237
190 1 2 . 1 1 5 5 GLU N N 5 122.663 122.663 124.943 -2.280 19237
191 1 2 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.534 -0.055 19237
192 1 2 . 1 1 5 5 GLU H H 5 8.801 8.801 8.822 -0.021 19237
193 1 2 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.826 -0.064 19237
194 1 2 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.090 1.865 19237
195 1 2 . 1 1 6 6 LYS H H 6 9.057 9.057 8.924 0.133 19237
196 1 2 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.346 0.122 19237
197 1 2 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.767 1.623 19237
198 1 2 . 1 1 7 7 PRO CB C 7 32.996 32.996 32.225 0.771 19237
199 1 2 . 1 1 8 8 SER HA H 8 4.751 4.751 4.452 0.299 19237
200 1 2 . 1 1 8 8 SER CA C 8 59.388 59.388 59.537 -0.149 19237
201 1 2 . 1 1 8 8 SER CB C 8 65.016 65.016 63.848 1.168 19237
202 1 2 . 1 1 8 8 SER H H 8 8.628 8.628 8.432 0.196 19237
203 1 2 . 1 1 9 9 GLY N N 9 119.742 119.742 113.495 6.247 19237
204 1 2 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.319 0.957 19237
205 1 2 . 1 1 9 9 GLY H H 9 10.642 10.642 8.893 1.749 19237
206 1 2 . 1 1 10 10 THR N N 10 109.252 109.252 111.522 -2.270 19237
207 1 2 . 1 1 10 10 THR HA H 10 4.506 4.506 4.473 0.033 19237
208 1 2 . 1 1 10 10 THR CA C 10 63.146 63.146 61.364 1.782 19237
209 1 2 . 1 1 10 10 THR CB C 10 71.462 71.462 70.001 1.461 19237
210 1 2 . 1 1 10 10 THR H H 10 8.204 8.204 7.788 0.416 19237
211 1 2 . 1 1 11 11 TRP N N 11 125.850 125.850 124.081 1.769 19237
212 1 2 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.740 -0.615 19237
213 1 2 . 1 1 11 11 TRP CA C 11 59.332 59.332 59.051 0.281 19237
214 1 2 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.680 -0.652 19237
215 1 2 . 1 1 11 11 TRP H H 11 8.151 8.151 7.940 0.211 19237
216 1 2 . 1 1 12 12 SER N N 12 123.082 123.082 117.461 5.621 19237
217 1 2 . 1 1 12 12 SER HA H 12 4.642 4.642 4.673 -0.031 19237
218 1 2 . 1 1 12 12 SER CA C 12 57.769 57.769 57.901 -0.132 19237
219 1 2 . 1 1 12 12 SER CB C 12 65.589 65.589 64.185 1.404 19237
220 1 2 . 1 1 12 12 SER H H 12 7.364 7.364 7.953 -0.589 19237
221 1 2 . 1 1 13 13 GLY N N 13 111.342 111.342 113.729 -2.387 19237
222 1 2 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.896 0.088 19237
223 1 2 . 1 1 13 13 GLY H H 13 8.403 8.403 8.532 -0.129 19237
224 1 2 . 1 1 14 14 VAL N N 14 119.976 119.976 122.335 -2.359 19237
225 1 2 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.281 -0.216 19237
226 1 2 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.394 2.029 19237
227 1 2 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.069 1.468 19237
228 1 2 . 1 1 14 14 VAL H H 14 8.540 8.540 8.299 0.241 19237
229 1 2 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.069 -0.123 19237
230 1 2 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.019 -0.100 19237
231 1 2 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.931 10.730 19237
232 1 2 . 1 1 15 15 CYS H H 15 8.289 8.289 8.696 -0.407 19237
233 1 2 . 1 1 16 16 GLY N N 16 114.030 114.030 111.341 2.689 19237
234 1 2 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.033 0.774 19237
235 1 2 . 1 1 16 16 GLY H H 16 8.610 8.610 8.682 -0.072 19237
236 1 2 . 1 1 17 17 ASN HA H 17 4.876 4.876 5.011 -0.135 19237
237 1 2 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.508 0.847 19237
238 1 2 . 1 1 17 17 ASN H H 17 7.335 7.335 7.649 -0.314 19237
239 1 2 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.596 -0.344 19237
240 1 2 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.442 1.039 19237
241 1 2 . 1 1 18 18 ASN H H 18 9.056 9.056 8.792 0.264 19237
242 1 2 . 1 1 19 19 GLY N N 19 107.723 107.723 108.273 -0.550 19237
243 1 2 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.008 1.962 19237
244 1 2 . 1 1 19 19 GLY H H 19 8.565 8.565 8.456 0.109 19237
245 1 2 . 1 1 20 20 ALA N N 20 124.931 124.931 123.126 1.805 19237
246 1 2 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.229 0.129 19237
247 1 2 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.898 0.861 19237
248 1 2 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.397 1.137 19237
249 1 2 . 1 1 20 20 ALA H H 20 7.949 7.949 8.132 -0.183 19237
250 1 2 . 1 1 21 21 CYS HA H 21 4.174 4.174 4.035 0.139 19237
251 1 2 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.209 -1.926 19237
252 1 2 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.913 12.889 19237
253 1 2 . 1 1 21 21 CYS H H 21 7.335 7.335 7.806 -0.471 19237
254 1 2 . 1 1 22 22 ARG N N 22 122.243 122.243 121.275 0.968 19237
255 1 2 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.709 -0.460 19237
256 1 2 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.981 -5.932 19237
257 1 2 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.797 -0.049 19237
258 1 2 . 1 1 22 22 ARG H H 22 8.494 8.494 8.142 0.352 19237
259 1 2 . 1 1 23 23 ASN N N 23 114.938 114.938 117.226 -2.288 19237
260 1 2 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.388 0.011 19237
261 1 2 . 1 1 23 23 ASN H H 23 8.271 8.271 8.446 -0.175 19237
262 1 2 . 1 1 24 24 GLN N N 24 120.890 120.890 119.957 0.933 19237
263 1 2 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.102 0.005 19237
264 1 2 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.077 -0.113 19237
265 1 2 . 1 1 24 24 GLN H H 24 8.221 8.221 7.894 0.327 19237
266 1 2 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.254 -0.013 19237
267 1 2 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.071 -2.706 19237
268 1 2 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.575 12.457 19237
269 1 2 . 1 1 25 25 CYS H H 25 8.747 8.747 8.323 0.424 19237
270 1 2 . 1 1 26 26 ILE N N 26 119.696 119.696 122.113 -2.417 19237
271 1 2 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.086 -0.234 19237
272 1 2 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.426 2.605 19237
273 1 2 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.618 3.733 19237
274 1 2 . 1 1 26 26 ILE H H 26 8.198 8.198 8.181 0.017 19237
275 1 2 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.188 -0.047 19237
276 1 2 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.988 1.519 19237
277 1 2 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.257 1.785 19237
278 1 2 . 1 1 27 27 ARG H H 27 8.736 8.736 7.745 0.991 19237
279 1 2 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.388 0.333 19237
280 1 2 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.906 -0.285 19237
281 1 2 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.701 1.021 19237
282 1 2 . 1 1 28 28 LEU H H 28 8.572 8.572 8.441 0.131 19237
283 1 2 . 1 1 29 29 GLU N N 29 115.746 115.746 115.831 -0.085 19237
284 1 2 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.523 0.287 19237
285 1 2 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.135 0.808 19237
286 1 2 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.583 0.465 19237
287 1 2 . 1 1 29 29 GLU H H 29 7.032 7.032 7.739 -0.707 19237
288 1 2 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.086 0.160 19237
289 1 2 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.060 1.143 19237
290 1 2 . 1 1 30 30 LYS H H 30 7.475 7.475 7.690 -0.215 19237
291 1 2 . 1 1 31 31 ALA N N 31 120.618 120.618 120.237 0.381 19237
292 1 2 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.952 0.057 19237
293 1 2 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.604 0.203 19237
294 1 2 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.133 -6.111 19237
295 1 2 . 1 1 31 31 ALA H H 31 7.974 7.974 8.054 -0.080 19237
296 1 2 . 1 1 32 32 ARG N N 32 113.739 113.739 121.380 -7.641 19237
297 1 2 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.363 0.119 19237
298 1 2 . 1 1 32 32 ARG H H 32 8.230 8.230 8.261 -0.031 19237
299 1 2 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.734 0.016 19237
300 1 2 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.511 0.930 19237
301 1 2 . 1 1 33 33 HIS H H 33 7.683 7.683 7.548 0.135 19237
302 1 2 . 1 1 34 34 GLY N N 34 110.723 110.723 108.137 2.586 19237
303 1 2 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.757 2.700 19237
304 1 2 . 1 1 34 34 GLY H H 34 6.313 6.313 7.477 -1.164 19237
305 1 2 . 1 1 35 35 SER HA H 35 4.118 4.118 4.700 -0.582 19237
306 1 2 . 1 1 35 35 SER CA C 35 61.816 61.816 56.900 4.916 19237
307 1 2 . 1 1 35 35 SER CB C 35 73.315 73.315 65.853 7.462 19237
308 1 2 . 1 1 35 35 SER H H 35 9.075 9.075 8.816 0.259 19237
309 1 2 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.897 0.558 19237
310 1 2 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.441 -3.608 19237
311 1 2 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.918 12.341 19237
312 1 2 . 1 1 36 36 CYS H H 36 8.552 8.552 8.703 -0.151 19237
313 1 2 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.654 0.345 19237
314 1 2 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.981 -0.893 19237
315 1 2 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.964 2.786 19237
316 1 2 . 1 1 37 37 ASN H H 37 9.079 9.079 7.891 1.188 19237
317 1 2 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.392 -0.184 19237
318 1 2 . 1 1 38 38 TYR H H 38 8.829 8.829 8.754 0.075 19237
319 1 2 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.943 -0.056 19237
320 1 2 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.438 3.424 19237
321 1 2 . 1 1 39 39 VAL H H 39 7.680 7.680 7.812 -0.132 19237
322 1 2 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.677 0.279 19237
323 1 2 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.641 -0.076 19237
324 1 2 . 1 1 40 40 PHE H H 40 8.441 8.441 7.941 0.500 19237
325 1 2 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.642 0.226 19237
326 1 2 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.904 0.713 19237
327 1 2 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.642 0.135 19237
328 1 2 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.913 1.685 19237
329 1 2 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.199 2.069 19237
330 1 2 . 1 1 42 42 ALA H H 42 8.286 8.286 7.176 1.110 19237
331 1 2 . 1 1 43 43 HIS HA H 43 4.954 4.954 4.783 0.171 19237
332 1 2 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.909 -0.312 19237
333 1 2 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.603 0.602 19237
334 1 2 . 1 1 43 43 HIS H H 43 8.588 8.588 8.740 -0.152 19237
335 1 2 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.774 -0.107 19237
336 1 2 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.577 1.987 19237
337 1 2 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.157 0.861 19237
338 1 2 . 1 1 44 44 LYS H H 44 8.825 8.825 9.102 -0.277 19237
339 1 2 . 1 1 45 45 CYS N N 45 120.533 120.533 123.599 -3.066 19237
340 1 2 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.088 0.626 19237
341 1 2 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.675 10.745 19237
342 1 2 . 1 1 45 45 CYS H H 45 9.154 9.154 8.758 0.396 19237
343 1 2 . 1 1 46 46 ILE N N 46 133.530 133.530 129.857 3.673 19237
344 1 2 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.579 -0.420 19237
345 1 2 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.545 0.405 19237
346 1 2 . 1 1 46 46 ILE CB C 46 38.351 38.351 37.568 0.783 19237
347 1 2 . 1 1 46 46 ILE H H 46 8.773 8.773 9.067 -0.294 19237
348 1 2 . 1 1 47 47 CYS N N 47 120.445 120.445 127.260 -6.815 19237
349 1 2 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.533 0.808 19237
350 1 2 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.430 -6.342 19237
351 1 2 . 1 1 47 47 CYS H H 47 8.520 8.520 8.848 -0.328 19237
352 1 2 . 1 1 48 48 TYR N N 48 116.569 116.569 119.807 -3.238 19237
353 1 2 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.989 0.291 19237
354 1 2 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.508 1.395 19237
355 1 2 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.984 2.535 19237
356 1 2 . 1 1 48 48 TYR H H 48 7.870 7.870 9.175 -1.305 19237
357 1 2 . 1 1 49 49 PHE N N 49 122.029 122.029 121.489 0.540 19237
358 1 2 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.028 -0.067 19237
359 1 2 . 1 1 49 49 PHE H H 49 9.162 9.162 9.303 -0.141 19237
360 1 2 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.351 0.543 19237
361 1 2 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.431 1.237 19237
362 1 2 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.400 1.518 19237
363 1 3 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.781 0.348 19237
364 1 3 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.477 0.190 19237
365 1 3 . 1 1 3 3 LEU CB C 3 46.077 46.077 45.850 0.227 19237
366 1 3 . 1 1 3 3 LEU H H 3 8.460 8.460 8.348 0.112 19237
367 1 3 . 1 1 4 4 CYS N N 4 122.129 122.129 122.104 0.025 19237
368 1 3 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.700 0.434 19237
369 1 3 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.378 2.050 19237
370 1 3 . 1 1 4 4 CYS H H 4 9.717 9.717 9.218 0.499 19237
371 1 3 . 1 1 5 5 GLU N N 5 122.663 122.663 125.667 -3.004 19237
372 1 3 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.376 0.103 19237
373 1 3 . 1 1 5 5 GLU H H 5 8.801 8.801 8.570 0.231 19237
374 1 3 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.846 -0.084 19237
375 1 3 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.583 1.372 19237
376 1 3 . 1 1 6 6 LYS H H 6 9.057 9.057 8.967 0.090 19237
377 1 3 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.455 0.013 19237
378 1 3 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.920 1.470 19237
379 1 3 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.567 1.429 19237
380 1 3 . 1 1 8 8 SER HA H 8 4.751 4.751 4.312 0.439 19237
381 1 3 . 1 1 8 8 SER CA C 8 59.388 59.388 59.511 -0.123 19237
382 1 3 . 1 1 8 8 SER CB C 8 65.016 65.016 63.564 1.452 19237
383 1 3 . 1 1 8 8 SER H H 8 8.628 8.628 8.205 0.423 19237
384 1 3 . 1 1 9 9 GLY N N 9 119.742 119.742 109.934 9.808 19237
385 1 3 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.426 0.850 19237
386 1 3 . 1 1 9 9 GLY H H 9 10.642 10.642 9.310 1.332 19237
387 1 3 . 1 1 10 10 THR N N 10 109.252 109.252 111.513 -2.261 19237
388 1 3 . 1 1 10 10 THR HA H 10 4.506 4.506 4.491 0.015 19237
389 1 3 . 1 1 10 10 THR CA C 10 63.146 63.146 61.257 1.889 19237
390 1 3 . 1 1 10 10 THR CB C 10 71.462 71.462 69.843 1.619 19237
391 1 3 . 1 1 10 10 THR H H 10 8.204 8.204 7.679 0.525 19237
392 1 3 . 1 1 11 11 TRP N N 11 125.850 125.850 123.189 2.661 19237
393 1 3 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.727 -0.601 19237
394 1 3 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.249 1.083 19237
395 1 3 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.155 -1.127 19237
396 1 3 . 1 1 11 11 TRP H H 11 8.151 8.151 8.070 0.081 19237
397 1 3 . 1 1 12 12 SER N N 12 123.082 123.082 116.192 6.890 19237
398 1 3 . 1 1 12 12 SER HA H 12 4.642 4.642 4.728 -0.086 19237
399 1 3 . 1 1 12 12 SER CA C 12 57.769 57.769 57.786 -0.017 19237
400 1 3 . 1 1 12 12 SER CB C 12 65.589 65.589 66.050 -0.461 19237
401 1 3 . 1 1 12 12 SER H H 12 7.364 7.364 7.694 -0.330 19237
402 1 3 . 1 1 13 13 GLY N N 13 111.342 111.342 112.000 -0.658 19237
403 1 3 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.634 0.350 19237
404 1 3 . 1 1 13 13 GLY H H 13 8.403 8.403 8.204 0.199 19237
405 1 3 . 1 1 14 14 VAL N N 14 119.976 119.976 120.463 -0.487 19237
406 1 3 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.268 -0.203 19237
407 1 3 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.117 2.306 19237
408 1 3 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.581 -0.044 19237
409 1 3 . 1 1 14 14 VAL H H 14 8.540 8.540 8.196 0.344 19237
410 1 3 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.105 -0.159 19237
411 1 3 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.353 -0.434 19237
412 1 3 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.024 10.636 19237
413 1 3 . 1 1 15 15 CYS H H 15 8.289 8.289 8.309 -0.020 19237
414 1 3 . 1 1 16 16 GLY N N 16 114.030 114.030 112.082 1.948 19237
415 1 3 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.125 0.683 19237
416 1 3 . 1 1 16 16 GLY H H 16 8.610 8.610 8.722 -0.112 19237
417 1 3 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.826 0.050 19237
418 1 3 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.557 0.798 19237
419 1 3 . 1 1 17 17 ASN H H 17 7.335 7.335 7.621 -0.286 19237
420 1 3 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.690 -0.438 19237
421 1 3 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.816 0.665 19237
422 1 3 . 1 1 18 18 ASN H H 18 9.056 9.056 8.739 0.317 19237
423 1 3 . 1 1 19 19 GLY N N 19 107.723 107.723 109.537 -1.814 19237
424 1 3 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.199 1.771 19237
425 1 3 . 1 1 19 19 GLY H H 19 8.565 8.565 8.339 0.226 19237
426 1 3 . 1 1 20 20 ALA N N 20 124.931 124.931 124.867 0.064 19237
427 1 3 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.255 0.103 19237
428 1 3 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.844 0.914 19237
429 1 3 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.194 1.340 19237
430 1 3 . 1 1 20 20 ALA H H 20 7.949 7.949 8.431 -0.482 19237
431 1 3 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.903 0.271 19237
432 1 3 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.580 -2.297 19237
433 1 3 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.817 12.985 19237
434 1 3 . 1 1 21 21 CYS H H 21 7.335 7.335 8.087 -0.752 19237
435 1 3 . 1 1 22 22 ARG N N 22 122.243 122.243 121.166 1.077 19237
436 1 3 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.742 -0.493 19237
437 1 3 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.746 -5.697 19237
438 1 3 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.781 -0.033 19237
439 1 3 . 1 1 22 22 ARG H H 22 8.494 8.494 7.694 0.800 19237
440 1 3 . 1 1 23 23 ASN N N 23 114.938 114.938 117.725 -2.787 19237
441 1 3 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.369 0.030 19237
442 1 3 . 1 1 23 23 ASN H H 23 8.271 8.271 8.577 -0.306 19237
443 1 3 . 1 1 24 24 GLN N N 24 120.890 120.890 120.079 0.811 19237
444 1 3 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.064 0.043 19237
445 1 3 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.034 -0.070 19237
446 1 3 . 1 1 24 24 GLN H H 24 8.221 8.221 7.982 0.239 19237
447 1 3 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.241 -0.000 19237
448 1 3 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.967 -2.602 19237
449 1 3 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.556 12.476 19237
450 1 3 . 1 1 25 25 CYS H H 25 8.747 8.747 8.053 0.694 19237
451 1 3 . 1 1 26 26 ILE N N 26 119.696 119.696 121.636 -1.940 19237
452 1 3 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.167 -0.315 19237
453 1 3 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.454 2.577 19237
454 1 3 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.590 3.762 19237
455 1 3 . 1 1 26 26 ILE H H 26 8.198 8.198 7.956 0.242 19237
456 1 3 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.220 -0.079 19237
457 1 3 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.383 1.124 19237
458 1 3 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.138 1.904 19237
459 1 3 . 1 1 27 27 ARG H H 27 8.736 8.736 7.702 1.034 19237
460 1 3 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.173 0.548 19237
461 1 3 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.977 -1.357 19237
462 1 3 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.113 1.609 19237
463 1 3 . 1 1 28 28 LEU H H 28 8.572 8.572 8.597 -0.025 19237
464 1 3 . 1 1 29 29 GLU N N 29 115.746 115.746 116.431 -0.685 19237
465 1 3 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.320 0.490 19237
466 1 3 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.830 0.114 19237
467 1 3 . 1 1 29 29 GLU CB C 29 31.048 31.048 29.682 1.366 19237
468 1 3 . 1 1 29 29 GLU H H 29 7.032 7.032 8.000 -0.968 19237
469 1 3 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.181 0.065 19237
470 1 3 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.894 1.309 19237
471 1 3 . 1 1 30 30 LYS H H 30 7.475 7.475 7.723 -0.248 19237
472 1 3 . 1 1 31 31 ALA N N 31 120.618 120.618 120.633 -0.015 19237
473 1 3 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.935 0.074 19237
474 1 3 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.611 0.196 19237
475 1 3 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.045 -6.023 19237
476 1 3 . 1 1 31 31 ALA H H 31 7.974 7.974 8.183 -0.209 19237
477 1 3 . 1 1 32 32 ARG N N 32 113.739 113.739 121.977 -8.238 19237
478 1 3 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.430 0.052 19237
479 1 3 . 1 1 32 32 ARG H H 32 8.230 8.230 8.473 -0.243 19237
480 1 3 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.699 0.051 19237
481 1 3 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.573 0.868 19237
482 1 3 . 1 1 33 33 HIS H H 33 7.683 7.683 7.641 0.043 19237
483 1 3 . 1 1 34 34 GLY N N 34 110.723 110.723 105.586 5.137 19237
484 1 3 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.272 2.185 19237
485 1 3 . 1 1 34 34 GLY H H 34 6.313 6.313 7.138 -0.825 19237
486 1 3 . 1 1 35 35 SER HA H 35 4.118 4.118 4.597 -0.479 19237
487 1 3 . 1 1 35 35 SER CA C 35 61.816 61.816 58.106 3.710 19237
488 1 3 . 1 1 35 35 SER CB C 35 73.315 73.315 65.489 7.826 19237
489 1 3 . 1 1 35 35 SER H H 35 9.075 9.075 8.744 0.331 19237
490 1 3 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.001 0.454 19237
491 1 3 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.568 -3.735 19237
492 1 3 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.286 11.973 19237
493 1 3 . 1 1 36 36 CYS H H 36 8.552 8.552 8.913 -0.361 19237
494 1 3 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.589 0.410 19237
495 1 3 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.073 -0.985 19237
496 1 3 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.525 3.225 19237
497 1 3 . 1 1 37 37 ASN H H 37 9.079 9.079 7.964 1.115 19237
498 1 3 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.139 0.069 19237
499 1 3 . 1 1 38 38 TYR H H 38 8.829 8.829 8.752 0.078 19237
500 1 3 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.951 -0.064 19237
501 1 3 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.119 3.743 19237
502 1 3 . 1 1 39 39 VAL H H 39 7.680 7.680 7.500 0.180 19237
503 1 3 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.693 0.263 19237
504 1 3 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.298 0.267 19237
505 1 3 . 1 1 40 40 PHE H H 40 8.441 8.441 8.000 0.441 19237
506 1 3 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.474 0.394 19237
507 1 3 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.868 0.749 19237
508 1 3 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.706 0.071 19237
509 1 3 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.715 1.883 19237
510 1 3 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.856 1.412 19237
511 1 3 . 1 1 42 42 ALA H H 42 8.286 8.286 7.433 0.853 19237
512 1 3 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.300 -0.346 19237
513 1 3 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.252 0.345 19237
514 1 3 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.922 0.283 19237
515 1 3 . 1 1 43 43 HIS H H 43 8.588 8.588 8.701 -0.113 19237
516 1 3 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.789 -0.122 19237
517 1 3 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.628 1.936 19237
518 1 3 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.378 0.640 19237
519 1 3 . 1 1 44 44 LYS H H 44 8.825 8.825 8.873 -0.048 19237
520 1 3 . 1 1 45 45 CYS N N 45 120.533 120.533 122.260 -1.727 19237
521 1 3 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.205 0.509 19237
522 1 3 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.858 10.562 19237
523 1 3 . 1 1 45 45 CYS H H 45 9.154 9.154 8.661 0.493 19237
524 1 3 . 1 1 46 46 ILE N N 46 133.530 133.530 130.208 3.322 19237
525 1 3 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.651 -0.492 19237
526 1 3 . 1 1 46 46 ILE CA C 46 58.950 58.950 59.049 -0.099 19237
527 1 3 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.336 -0.985 19237
528 1 3 . 1 1 46 46 ILE H H 46 8.773 8.773 8.940 -0.167 19237
529 1 3 . 1 1 47 47 CYS N N 47 120.445 120.445 127.273 -6.828 19237
530 1 3 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.580 0.761 19237
531 1 3 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.371 -6.283 19237
532 1 3 . 1 1 47 47 CYS H H 47 8.520 8.520 9.060 -0.540 19237
533 1 3 . 1 1 48 48 TYR N N 48 116.569 116.569 121.918 -5.349 19237
534 1 3 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.650 0.630 19237
535 1 3 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.074 1.829 19237
536 1 3 . 1 1 48 48 TYR CB C 48 42.520 42.520 38.814 3.706 19237
537 1 3 . 1 1 48 48 TYR H H 48 7.870 7.870 9.248 -1.378 19237
538 1 3 . 1 1 49 49 PHE N N 49 122.029 122.029 122.603 -0.574 19237
539 1 3 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.972 -0.011 19237
540 1 3 . 1 1 49 49 PHE H H 49 9.162 9.162 8.756 0.406 19237
541 1 3 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.674 0.220 19237
542 1 3 . 1 1 50 50 PRO CA C 50 64.668 64.668 62.754 1.914 19237
543 1 3 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.122 1.796 19237
544 1 4 . 1 1 3 3 LEU HA H 3 5.129 5.129 5.276 -0.147 19237
545 1 4 . 1 1 3 3 LEU CA C 3 54.667 54.667 53.995 0.672 19237
546 1 4 . 1 1 3 3 LEU CB C 3 46.077 46.077 45.341 0.736 19237
547 1 4 . 1 1 3 3 LEU H H 3 8.460 8.460 7.891 0.569 19237
548 1 4 . 1 1 4 4 CYS N N 4 122.129 122.129 123.997 -1.868 19237
549 1 4 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.691 0.443 19237
550 1 4 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.427 2.001 19237
551 1 4 . 1 1 4 4 CYS H H 4 9.717 9.717 9.313 0.404 19237
552 1 4 . 1 1 5 5 GLU N N 5 122.663 122.663 125.791 -3.128 19237
553 1 4 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.479 -0.000 19237
554 1 4 . 1 1 5 5 GLU H H 5 8.801 8.801 8.639 0.162 19237
555 1 4 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.856 -0.094 19237
556 1 4 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.696 1.259 19237
557 1 4 . 1 1 6 6 LYS H H 6 9.057 9.057 9.032 0.025 19237
558 1 4 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.454 0.014 19237
559 1 4 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.069 1.321 19237
560 1 4 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.802 1.194 19237
561 1 4 . 1 1 8 8 SER HA H 8 4.751 4.751 4.394 0.357 19237
562 1 4 . 1 1 8 8 SER CA C 8 59.388 59.388 59.504 -0.116 19237
563 1 4 . 1 1 8 8 SER CB C 8 65.016 65.016 64.034 0.982 19237
564 1 4 . 1 1 8 8 SER H H 8 8.628 8.628 8.464 0.164 19237
565 1 4 . 1 1 9 9 GLY N N 9 119.742 119.742 113.596 6.146 19237
566 1 4 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.467 0.810 19237
567 1 4 . 1 1 9 9 GLY H H 9 10.642 10.642 8.634 2.008 19237
568 1 4 . 1 1 10 10 THR N N 10 109.252 109.252 112.515 -3.263 19237
569 1 4 . 1 1 10 10 THR HA H 10 4.506 4.506 4.523 -0.017 19237
570 1 4 . 1 1 10 10 THR CA C 10 63.146 63.146 62.239 0.907 19237
571 1 4 . 1 1 10 10 THR CB C 10 71.462 71.462 70.138 1.325 19237
572 1 4 . 1 1 10 10 THR H H 10 8.204 8.204 7.919 0.285 19237
573 1 4 . 1 1 11 11 TRP N N 11 125.850 125.850 124.361 1.489 19237
574 1 4 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.704 -0.578 19237
575 1 4 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.652 0.680 19237
576 1 4 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.710 -0.683 19237
577 1 4 . 1 1 11 11 TRP H H 11 8.151 8.151 7.795 0.356 19237
578 1 4 . 1 1 12 12 SER N N 12 123.082 123.082 117.861 5.221 19237
579 1 4 . 1 1 12 12 SER HA H 12 4.642 4.642 4.789 -0.147 19237
580 1 4 . 1 1 12 12 SER CA C 12 57.769 57.769 57.884 -0.115 19237
581 1 4 . 1 1 12 12 SER CB C 12 65.589 65.589 65.138 0.451 19237
582 1 4 . 1 1 12 12 SER H H 12 7.364 7.364 8.130 -0.766 19237
583 1 4 . 1 1 13 13 GLY N N 13 111.342 111.342 113.430 -2.088 19237
584 1 4 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.794 0.190 19237
585 1 4 . 1 1 13 13 GLY H H 13 8.403 8.403 8.397 0.006 19237
586 1 4 . 1 1 14 14 VAL N N 14 119.976 119.976 121.562 -1.586 19237
587 1 4 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.236 -0.171 19237
588 1 4 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.166 1.257 19237
589 1 4 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.356 0.181 19237
590 1 4 . 1 1 14 14 VAL H H 14 8.540 8.540 8.214 0.326 19237
591 1 4 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.290 -0.344 19237
592 1 4 . 1 1 15 15 CYS CA C 15 57.919 57.919 56.822 1.097 19237
593 1 4 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.977 10.684 19237
594 1 4 . 1 1 15 15 CYS H H 15 8.289 8.289 8.030 0.259 19237
595 1 4 . 1 1 16 16 GLY N N 16 114.030 114.030 108.096 5.934 19237
596 1 4 . 1 1 16 16 GLY CA C 16 45.808 45.808 44.872 0.936 19237
597 1 4 . 1 1 16 16 GLY H H 16 8.610 8.610 8.883 -0.273 19237
598 1 4 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.960 -0.083 19237
599 1 4 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.848 0.507 19237
600 1 4 . 1 1 17 17 ASN H H 17 7.335 7.335 8.079 -0.744 19237
601 1 4 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.445 -0.193 19237
602 1 4 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.104 1.377 19237
603 1 4 . 1 1 18 18 ASN H H 18 9.056 9.056 8.874 0.182 19237
604 1 4 . 1 1 19 19 GLY N N 19 107.723 107.723 107.587 0.136 19237
605 1 4 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.267 1.703 19237
606 1 4 . 1 1 19 19 GLY H H 19 8.565 8.565 8.400 0.165 19237
607 1 4 . 1 1 20 20 ALA N N 20 124.931 124.931 123.616 1.315 19237
608 1 4 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.193 0.165 19237
609 1 4 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.983 0.775 19237
610 1 4 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.375 1.159 19237
611 1 4 . 1 1 20 20 ALA H H 20 7.949 7.949 7.991 -0.042 19237
612 1 4 . 1 1 21 21 CYS HA H 21 4.174 4.174 4.059 0.115 19237
613 1 4 . 1 1 21 21 CYS CA C 21 59.283 59.283 63.215 -3.932 19237
614 1 4 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.945 12.857 19237
615 1 4 . 1 1 21 21 CYS H H 21 7.335 7.335 8.000 -0.665 19237
616 1 4 . 1 1 22 22 ARG N N 22 122.243 122.243 120.764 1.479 19237
617 1 4 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.678 -0.429 19237
618 1 4 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.974 -5.925 19237
619 1 4 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.737 0.011 19237
620 1 4 . 1 1 22 22 ARG H H 22 8.494 8.494 8.059 0.435 19237
621 1 4 . 1 1 23 23 ASN N N 23 114.938 114.938 117.339 -2.401 19237
622 1 4 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.356 0.043 19237
623 1 4 . 1 1 23 23 ASN H H 23 8.271 8.271 8.402 -0.131 19237
624 1 4 . 1 1 24 24 GLN N N 24 120.890 120.890 119.998 0.892 19237
625 1 4 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.069 0.038 19237
626 1 4 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.064 -0.100 19237
627 1 4 . 1 1 24 24 GLN H H 24 8.221 8.221 8.211 0.010 19237
628 1 4 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.244 -0.003 19237
629 1 4 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.121 -2.756 19237
630 1 4 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.600 12.432 19237
631 1 4 . 1 1 25 25 CYS H H 25 8.747 8.747 8.617 0.130 19237
632 1 4 . 1 1 26 26 ILE N N 26 119.696 119.696 121.540 -1.844 19237
633 1 4 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.100 -0.248 19237
634 1 4 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.268 2.763 19237
635 1 4 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.462 3.890 19237
636 1 4 . 1 1 26 26 ILE H H 26 8.198 8.198 8.273 -0.075 19237
637 1 4 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.150 -0.009 19237
638 1 4 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.372 1.135 19237
639 1 4 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.546 1.496 19237
640 1 4 . 1 1 27 27 ARG H H 27 8.736 8.736 7.965 0.771 19237
641 1 4 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.392 0.329 19237
642 1 4 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.290 0.331 19237
643 1 4 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.597 1.125 19237
644 1 4 . 1 1 28 28 LEU H H 28 8.572 8.572 8.246 0.326 19237
645 1 4 . 1 1 29 29 GLU N N 29 115.746 115.746 115.431 0.315 19237
646 1 4 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.566 0.244 19237
647 1 4 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.739 1.204 19237
648 1 4 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.829 0.219 19237
649 1 4 . 1 1 29 29 GLU H H 29 7.032 7.032 7.652 -0.620 19237
650 1 4 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.044 0.202 19237
651 1 4 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.163 1.040 19237
652 1 4 . 1 1 30 30 LYS H H 30 7.475 7.475 7.704 -0.229 19237
653 1 4 . 1 1 31 31 ALA N N 31 120.618 120.618 119.917 0.701 19237
654 1 4 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.027 -0.018 19237
655 1 4 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.299 0.508 19237
656 1 4 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.230 -6.208 19237
657 1 4 . 1 1 31 31 ALA H H 31 7.974 7.974 8.012 -0.038 19237
658 1 4 . 1 1 32 32 ARG N N 32 113.739 113.739 120.283 -6.544 19237
659 1 4 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.451 0.031 19237
660 1 4 . 1 1 32 32 ARG H H 32 8.230 8.230 8.317 -0.087 19237
661 1 4 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.649 0.101 19237
662 1 4 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.303 1.138 19237
663 1 4 . 1 1 33 33 HIS H H 33 7.683 7.683 7.548 0.135 19237
664 1 4 . 1 1 34 34 GLY N N 34 110.723 110.723 106.675 4.048 19237
665 1 4 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.149 2.308 19237
666 1 4 . 1 1 34 34 GLY H H 34 6.313 6.313 7.045 -0.732 19237
667 1 4 . 1 1 35 35 SER HA H 35 4.118 4.118 4.798 -0.680 19237
668 1 4 . 1 1 35 35 SER CA C 35 61.816 61.816 57.656 4.160 19237
669 1 4 . 1 1 35 35 SER CB C 35 73.315 73.315 65.435 7.880 19237
670 1 4 . 1 1 35 35 SER H H 35 9.075 9.075 8.977 0.097 19237
671 1 4 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.972 0.483 19237
672 1 4 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.841 -5.008 19237
673 1 4 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.115 12.144 19237
674 1 4 . 1 1 36 36 CYS H H 36 8.552 8.552 8.632 -0.080 19237
675 1 4 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.694 0.305 19237
676 1 4 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.833 -0.745 19237
677 1 4 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.742 3.007 19237
678 1 4 . 1 1 37 37 ASN H H 37 9.079 9.079 8.245 0.834 19237
679 1 4 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.511 -0.303 19237
680 1 4 . 1 1 38 38 TYR H H 38 8.829 8.829 8.608 0.221 19237
681 1 4 . 1 1 39 39 VAL HA H 39 3.887 3.887 4.043 -0.156 19237
682 1 4 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.810 4.052 19237
683 1 4 . 1 1 39 39 VAL H H 39 7.680 7.680 7.943 -0.263 19237
684 1 4 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.775 0.181 19237
685 1 4 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.672 -0.107 19237
686 1 4 . 1 1 40 40 PHE H H 40 8.441 8.441 8.338 0.103 19237
687 1 4 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.772 0.096 19237
688 1 4 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.922 0.695 19237
689 1 4 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.626 0.151 19237
690 1 4 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.519 2.079 19237
691 1 4 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.155 2.113 19237
692 1 4 . 1 1 42 42 ALA H H 42 8.286 8.286 7.373 0.913 19237
693 1 4 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.355 -0.401 19237
694 1 4 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.464 1.133 19237
695 1 4 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.758 0.447 19237
696 1 4 . 1 1 43 43 HIS H H 43 8.588 8.588 8.601 -0.013 19237
697 1 4 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.710 -0.043 19237
698 1 4 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.625 1.939 19237
699 1 4 . 1 1 44 44 LYS CB C 44 37.018 37.018 34.937 2.082 19237
700 1 4 . 1 1 44 44 LYS H H 44 8.825 8.825 8.726 0.099 19237
701 1 4 . 1 1 45 45 CYS N N 45 120.533 120.533 123.999 -3.466 19237
702 1 4 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.149 0.565 19237
703 1 4 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.447 10.973 19237
704 1 4 . 1 1 45 45 CYS H H 45 9.154 9.154 8.836 0.318 19237
705 1 4 . 1 1 46 46 ILE N N 46 133.530 133.530 129.411 4.119 19237
706 1 4 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.687 -0.528 19237
707 1 4 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.836 0.114 19237
708 1 4 . 1 1 46 46 ILE CB C 46 38.351 38.351 40.120 -1.769 19237
709 1 4 . 1 1 46 46 ILE H H 46 8.773 8.773 8.318 0.455 19237
710 1 4 . 1 1 47 47 CYS N N 47 120.445 120.445 126.267 -5.822 19237
711 1 4 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.730 0.611 19237
712 1 4 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.010 -5.922 19237
713 1 4 . 1 1 47 47 CYS H H 47 8.520 8.520 9.302 -0.782 19237
714 1 4 . 1 1 48 48 TYR N N 48 116.569 116.569 119.526 -2.957 19237
715 1 4 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.710 0.570 19237
716 1 4 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.023 1.881 19237
717 1 4 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.491 3.029 19237
718 1 4 . 1 1 48 48 TYR H H 48 7.870 7.870 9.274 -1.404 19237
719 1 4 . 1 1 49 49 PHE N N 49 122.029 122.029 121.492 0.537 19237
720 1 4 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.000 -0.038 19237
721 1 4 . 1 1 49 49 PHE H H 49 9.162 9.162 8.527 0.635 19237
722 1 4 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.598 0.296 19237
723 1 4 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.505 1.163 19237
724 1 4 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.054 1.864 19237
725 1 5 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.275 0.854 19237
726 1 5 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.992 -1.325 19237
727 1 5 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.256 3.821 19237
728 1 5 . 1 1 3 3 LEU H H 3 8.460 8.460 8.300 0.160 19237
729 1 5 . 1 1 4 4 CYS N N 4 122.129 122.129 124.964 -2.835 19237
730 1 5 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.555 0.579 19237
731 1 5 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.868 1.560 19237
732 1 5 . 1 1 4 4 CYS H H 4 9.717 9.717 8.965 0.752 19237
733 1 5 . 1 1 5 5 GLU N N 5 122.663 122.663 125.669 -3.006 19237
734 1 5 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.616 -0.137 19237
735 1 5 . 1 1 5 5 GLU H H 5 8.801 8.801 8.627 0.173 19237
736 1 5 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.880 -0.118 19237
737 1 5 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.593 1.362 19237
738 1 5 . 1 1 6 6 LYS H H 6 9.057 9.057 9.034 0.023 19237
739 1 5 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.473 -0.005 19237
740 1 5 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.023 1.367 19237
741 1 5 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.857 1.139 19237
742 1 5 . 1 1 8 8 SER HA H 8 4.751 4.751 4.384 0.367 19237
743 1 5 . 1 1 8 8 SER CA C 8 59.388 59.388 59.437 -0.049 19237
744 1 5 . 1 1 8 8 SER CB C 8 65.016 65.016 63.997 1.019 19237
745 1 5 . 1 1 8 8 SER H H 8 8.628 8.628 8.354 0.274 19237
746 1 5 . 1 1 9 9 GLY N N 9 119.742 119.742 113.732 6.010 19237
747 1 5 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.404 0.872 19237
748 1 5 . 1 1 9 9 GLY H H 9 10.642 10.642 9.164 1.478 19237
749 1 5 . 1 1 10 10 THR N N 10 109.252 109.252 112.063 -2.811 19237
750 1 5 . 1 1 10 10 THR HA H 10 4.506 4.506 4.534 -0.028 19237
751 1 5 . 1 1 10 10 THR CA C 10 63.146 63.146 61.610 1.536 19237
752 1 5 . 1 1 10 10 THR CB C 10 71.462 71.462 70.240 1.222 19237
753 1 5 . 1 1 10 10 THR H H 10 8.204 8.204 7.854 0.350 19237
754 1 5 . 1 1 11 11 TRP N N 11 125.850 125.850 124.520 1.330 19237
755 1 5 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.812 -0.686 19237
756 1 5 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.590 0.743 19237
757 1 5 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.677 -0.649 19237
758 1 5 . 1 1 11 11 TRP H H 11 8.151 8.151 7.972 0.179 19237
759 1 5 . 1 1 12 12 SER N N 12 123.082 123.082 117.341 5.741 19237
760 1 5 . 1 1 12 12 SER HA H 12 4.642 4.642 4.690 -0.048 19237
761 1 5 . 1 1 12 12 SER CA C 12 57.769 57.769 58.129 -0.360 19237
762 1 5 . 1 1 12 12 SER CB C 12 65.589 65.589 64.095 1.494 19237
763 1 5 . 1 1 12 12 SER H H 12 7.364 7.364 7.940 -0.576 19237
764 1 5 . 1 1 13 13 GLY N N 13 111.342 111.342 113.578 -2.236 19237
765 1 5 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.595 0.389 19237
766 1 5 . 1 1 13 13 GLY H H 13 8.403 8.403 8.383 0.020 19237
767 1 5 . 1 1 14 14 VAL N N 14 119.976 119.976 121.115 -1.139 19237
768 1 5 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.423 -0.358 19237
769 1 5 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.407 2.016 19237
770 1 5 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.698 1.839 19237
771 1 5 . 1 1 14 14 VAL H H 14 8.540 8.540 8.245 0.295 19237
772 1 5 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.182 -0.236 19237
773 1 5 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.021 -0.102 19237
774 1 5 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.049 10.612 19237
775 1 5 . 1 1 15 15 CYS H H 15 8.289 8.289 8.230 0.059 19237
776 1 5 . 1 1 16 16 GLY N N 16 114.030 114.030 107.671 6.359 19237
777 1 5 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.041 0.767 19237
778 1 5 . 1 1 16 16 GLY H H 16 8.610 8.610 8.801 -0.191 19237
779 1 5 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.819 0.057 19237
780 1 5 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.765 0.590 19237
781 1 5 . 1 1 17 17 ASN H H 17 7.335 7.335 7.939 -0.604 19237
782 1 5 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.380 -0.128 19237
783 1 5 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.487 0.994 19237
784 1 5 . 1 1 18 18 ASN H H 18 9.056 9.056 8.758 0.298 19237
785 1 5 . 1 1 19 19 GLY N N 19 107.723 107.723 107.889 -0.166 19237
786 1 5 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.285 1.685 19237
787 1 5 . 1 1 19 19 GLY H H 19 8.565 8.565 8.458 0.107 19237
788 1 5 . 1 1 20 20 ALA N N 20 124.931 124.931 124.686 0.245 19237
789 1 5 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.291 0.067 19237
790 1 5 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.793 0.965 19237
791 1 5 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.317 1.217 19237
792 1 5 . 1 1 20 20 ALA H H 20 7.949 7.949 8.376 -0.427 19237
793 1 5 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.827 0.347 19237
794 1 5 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.234 -1.951 19237
795 1 5 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.750 13.052 19237
796 1 5 . 1 1 21 21 CYS H H 21 7.335 7.335 7.782 -0.447 19237
797 1 5 . 1 1 22 22 ARG N N 22 122.243 122.243 121.393 0.850 19237
798 1 5 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.712 -0.463 19237
799 1 5 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.831 -5.782 19237
800 1 5 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.802 -0.054 19237
801 1 5 . 1 1 22 22 ARG H H 22 8.494 8.494 8.242 0.252 19237
802 1 5 . 1 1 23 23 ASN N N 23 114.938 114.938 117.887 -2.949 19237
803 1 5 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.359 0.040 19237
804 1 5 . 1 1 23 23 ASN H H 23 8.271 8.271 8.609 -0.338 19237
805 1 5 . 1 1 24 24 GLN N N 24 120.890 120.890 119.992 0.898 19237
806 1 5 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.072 0.035 19237
807 1 5 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.037 -0.073 19237
808 1 5 . 1 1 24 24 GLN H H 24 8.221 8.221 7.937 0.284 19237
809 1 5 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.251 -0.010 19237
810 1 5 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.030 -2.665 19237
811 1 5 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.618 12.414 19237
812 1 5 . 1 1 25 25 CYS H H 25 8.747 8.747 8.164 0.583 19237
813 1 5 . 1 1 26 26 ILE N N 26 119.696 119.696 121.496 -1.800 19237
814 1 5 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.219 -0.367 19237
815 1 5 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.431 2.600 19237
816 1 5 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.293 4.059 19237
817 1 5 . 1 1 26 26 ILE H H 26 8.198 8.198 8.330 -0.132 19237
818 1 5 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.219 -0.078 19237
819 1 5 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.162 2.345 19237
820 1 5 . 1 1 27 27 ARG CB C 27 32.042 32.042 29.830 2.212 19237
821 1 5 . 1 1 27 27 ARG H H 27 8.736 8.736 8.185 0.551 19237
822 1 5 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.264 0.457 19237
823 1 5 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.676 -1.055 19237
824 1 5 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.158 1.564 19237
825 1 5 . 1 1 28 28 LEU H H 28 8.572 8.572 8.399 0.173 19237
826 1 5 . 1 1 29 29 GLU N N 29 115.746 115.746 116.819 -1.073 19237
827 1 5 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.345 0.465 19237
828 1 5 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.526 0.416 19237
829 1 5 . 1 1 29 29 GLU CB C 29 31.048 31.048 29.784 1.264 19237
830 1 5 . 1 1 29 29 GLU H H 29 7.032 7.032 7.901 -0.869 19237
831 1 5 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.159 0.087 19237
832 1 5 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.980 1.223 19237
833 1 5 . 1 1 30 30 LYS H H 30 7.475 7.475 7.693 -0.218 19237
834 1 5 . 1 1 31 31 ALA N N 31 120.618 120.618 119.915 0.703 19237
835 1 5 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.085 -0.076 19237
836 1 5 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.173 0.634 19237
837 1 5 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.339 -6.317 19237
838 1 5 . 1 1 31 31 ALA H H 31 7.974 7.974 8.219 -0.245 19237
839 1 5 . 1 1 32 32 ARG N N 32 113.739 113.739 121.488 -7.749 19237
840 1 5 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.388 0.094 19237
841 1 5 . 1 1 32 32 ARG H H 32 8.230 8.230 8.463 -0.233 19237
842 1 5 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.663 0.087 19237
843 1 5 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.297 1.143 19237
844 1 5 . 1 1 33 33 HIS H H 33 7.683 7.683 7.529 0.154 19237
845 1 5 . 1 1 34 34 GLY N N 34 110.723 110.723 106.710 4.013 19237
846 1 5 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.988 2.469 19237
847 1 5 . 1 1 34 34 GLY H H 34 6.313 6.313 6.981 -0.668 19237
848 1 5 . 1 1 35 35 SER HA H 35 4.118 4.118 4.707 -0.589 19237
849 1 5 . 1 1 35 35 SER CA C 35 61.816 61.816 56.614 5.202 19237
850 1 5 . 1 1 35 35 SER CB C 35 73.315 73.315 65.903 7.412 19237
851 1 5 . 1 1 35 35 SER H H 35 9.075 9.075 8.927 0.148 19237
852 1 5 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.891 0.564 19237
853 1 5 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.565 -4.732 19237
854 1 5 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.401 11.858 19237
855 1 5 . 1 1 36 36 CYS H H 36 8.552 8.552 8.776 -0.224 19237
856 1 5 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.657 0.342 19237
857 1 5 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.089 -1.001 19237
858 1 5 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.874 2.876 19237
859 1 5 . 1 1 37 37 ASN H H 37 9.079 9.079 8.117 0.962 19237
860 1 5 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.321 -0.113 19237
861 1 5 . 1 1 38 38 TYR H H 38 8.829 8.829 8.771 0.058 19237
862 1 5 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.960 -0.073 19237
863 1 5 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.286 3.576 19237
864 1 5 . 1 1 39 39 VAL H H 39 7.680 7.680 7.553 0.127 19237
865 1 5 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.707 0.249 19237
866 1 5 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.255 0.310 19237
867 1 5 . 1 1 40 40 PHE H H 40 8.441 8.441 7.976 0.465 19237
868 1 5 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.441 0.427 19237
869 1 5 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.800 0.817 19237
870 1 5 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.736 0.041 19237
871 1 5 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.942 1.656 19237
872 1 5 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.753 1.515 19237
873 1 5 . 1 1 42 42 ALA H H 42 8.286 8.286 7.262 1.024 19237
874 1 5 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.231 -0.277 19237
875 1 5 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.332 0.265 19237
876 1 5 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.213 0.992 19237
877 1 5 . 1 1 43 43 HIS H H 43 8.588 8.588 8.775 -0.187 19237
878 1 5 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.790 -0.123 19237
879 1 5 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.349 2.215 19237
880 1 5 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.082 0.936 19237
881 1 5 . 1 1 44 44 LYS H H 44 8.825 8.825 8.930 -0.105 19237
882 1 5 . 1 1 45 45 CYS N N 45 120.533 120.533 123.144 -2.611 19237
883 1 5 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.270 0.444 19237
884 1 5 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.750 10.671 19237
885 1 5 . 1 1 45 45 CYS H H 45 9.154 9.154 8.849 0.305 19237
886 1 5 . 1 1 46 46 ILE N N 46 133.530 133.530 129.645 3.885 19237
887 1 5 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.809 -0.650 19237
888 1 5 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.804 0.145 19237
889 1 5 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.845 -0.494 19237
890 1 5 . 1 1 46 46 ILE H H 46 8.773 8.773 8.571 0.202 19237
891 1 5 . 1 1 47 47 CYS N N 47 120.445 120.445 127.257 -6.812 19237
892 1 5 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.582 0.759 19237
893 1 5 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.406 -6.318 19237
894 1 5 . 1 1 47 47 CYS H H 47 8.520 8.520 9.266 -0.746 19237
895 1 5 . 1 1 48 48 TYR N N 48 116.569 116.569 118.883 -2.314 19237
896 1 5 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.747 0.533 19237
897 1 5 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.940 1.963 19237
898 1 5 . 1 1 48 48 TYR CB C 48 42.520 42.520 40.158 2.362 19237
899 1 5 . 1 1 48 48 TYR H H 48 7.870 7.870 9.171 -1.301 19237
900 1 5 . 1 1 49 49 PHE N N 49 122.029 122.029 121.474 0.555 19237
901 1 5 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.000 -0.039 19237
902 1 5 . 1 1 49 49 PHE H H 49 9.162 9.162 8.956 0.206 19237
903 1 5 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.382 0.512 19237
904 1 5 . 1 1 50 50 PRO CA C 50 64.668 64.668 64.142 0.526 19237
905 1 5 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.820 1.098 19237
906 1 6 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.344 0.785 19237
907 1 6 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.929 -0.262 19237
908 1 6 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.674 3.403 19237
909 1 6 . 1 1 3 3 LEU H H 3 8.460 8.460 8.253 0.207 19237
910 1 6 . 1 1 4 4 CYS N N 4 122.129 122.129 121.651 0.478 19237
911 1 6 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.647 0.487 19237
912 1 6 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.181 2.247 19237
913 1 6 . 1 1 4 4 CYS H H 4 9.717 9.717 8.644 1.073 19237
914 1 6 . 1 1 5 5 GLU N N 5 122.663 122.663 125.323 -2.660 19237
915 1 6 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.671 -0.192 19237
916 1 6 . 1 1 5 5 GLU H H 5 8.801 8.801 8.587 0.214 19237
917 1 6 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.866 -0.104 19237
918 1 6 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.414 1.541 19237
919 1 6 . 1 1 6 6 LYS H H 6 9.057 9.057 9.058 -0.001 19237
920 1 6 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.360 0.108 19237
921 1 6 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.246 1.144 19237
922 1 6 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.649 1.347 19237
923 1 6 . 1 1 8 8 SER HA H 8 4.751 4.751 4.353 0.398 19237
924 1 6 . 1 1 8 8 SER CA C 8 59.388 59.388 59.431 -0.043 19237
925 1 6 . 1 1 8 8 SER CB C 8 65.016 65.016 64.019 0.997 19237
926 1 6 . 1 1 8 8 SER H H 8 8.628 8.628 8.050 0.578 19237
927 1 6 . 1 1 9 9 GLY N N 9 119.742 119.742 113.055 6.687 19237
928 1 6 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.438 0.839 19237
929 1 6 . 1 1 9 9 GLY H H 9 10.642 10.642 9.029 1.613 19237
930 1 6 . 1 1 10 10 THR N N 10 109.252 109.252 110.483 -1.231 19237
931 1 6 . 1 1 10 10 THR HA H 10 4.506 4.506 4.527 -0.021 19237
932 1 6 . 1 1 10 10 THR CA C 10 63.146 63.146 61.436 1.710 19237
933 1 6 . 1 1 10 10 THR CB C 10 71.462 71.462 69.963 1.499 19237
934 1 6 . 1 1 10 10 THR H H 10 8.204 8.204 7.842 0.362 19237
935 1 6 . 1 1 11 11 TRP N N 11 125.850 125.850 122.567 3.283 19237
936 1 6 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.793 -0.667 19237
937 1 6 . 1 1 11 11 TRP CA C 11 59.332 59.332 56.773 2.559 19237
938 1 6 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.859 -1.831 19237
939 1 6 . 1 1 11 11 TRP H H 11 8.151 8.151 7.694 0.457 19237
940 1 6 . 1 1 12 12 SER N N 12 123.082 123.082 115.566 7.516 19237
941 1 6 . 1 1 12 12 SER HA H 12 4.642 4.642 4.657 -0.015 19237
942 1 6 . 1 1 12 12 SER CA C 12 57.769 57.769 58.053 -0.284 19237
943 1 6 . 1 1 12 12 SER CB C 12 65.589 65.589 64.609 0.980 19237
944 1 6 . 1 1 12 12 SER H H 12 7.364 7.364 8.243 -0.879 19237
945 1 6 . 1 1 13 13 GLY N N 13 111.342 111.342 110.600 0.742 19237
946 1 6 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.633 0.351 19237
947 1 6 . 1 1 13 13 GLY H H 13 8.403 8.403 8.141 0.262 19237
948 1 6 . 1 1 14 14 VAL N N 14 119.976 119.976 121.011 -1.035 19237
949 1 6 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.209 -0.144 19237
950 1 6 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.088 2.335 19237
951 1 6 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.791 1.746 19237
952 1 6 . 1 1 14 14 VAL H H 14 8.540 8.540 8.361 0.179 19237
953 1 6 . 1 1 15 15 CYS HA H 15 4.946 4.946 4.922 0.024 19237
954 1 6 . 1 1 15 15 CYS CA C 15 57.919 57.919 59.260 -1.341 19237
955 1 6 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.125 11.537 19237
956 1 6 . 1 1 15 15 CYS H H 15 8.289 8.289 8.509 -0.220 19237
957 1 6 . 1 1 16 16 GLY N N 16 114.030 114.030 113.803 0.227 19237
958 1 6 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.311 0.497 19237
959 1 6 . 1 1 16 16 GLY H H 16 8.610 8.610 8.799 -0.189 19237
960 1 6 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.990 -0.114 19237
961 1 6 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.563 0.792 19237
962 1 6 . 1 1 17 17 ASN H H 17 7.335 7.335 7.976 -0.641 19237
963 1 6 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.492 -0.240 19237
964 1 6 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.109 1.372 19237
965 1 6 . 1 1 18 18 ASN H H 18 9.056 9.056 8.908 0.148 19237
966 1 6 . 1 1 19 19 GLY N N 19 107.723 107.723 108.167 -0.444 19237
967 1 6 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.693 1.277 19237
968 1 6 . 1 1 19 19 GLY H H 19 8.565 8.565 8.450 0.115 19237
969 1 6 . 1 1 20 20 ALA N N 20 124.931 124.931 123.247 1.684 19237
970 1 6 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.165 0.193 19237
971 1 6 . 1 1 20 20 ALA CA C 20 55.758 55.758 55.010 0.748 19237
972 1 6 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.372 1.162 19237
973 1 6 . 1 1 20 20 ALA H H 20 7.949 7.949 7.977 -0.028 19237
974 1 6 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.929 0.245 19237
975 1 6 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.444 -2.161 19237
976 1 6 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.737 13.065 19237
977 1 6 . 1 1 21 21 CYS H H 21 7.335 7.335 7.986 -0.651 19237
978 1 6 . 1 1 22 22 ARG N N 22 122.243 122.243 121.164 1.079 19237
979 1 6 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.716 -0.467 19237
980 1 6 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.828 -5.779 19237
981 1 6 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.808 -0.060 19237
982 1 6 . 1 1 22 22 ARG H H 22 8.494 8.494 8.291 0.203 19237
983 1 6 . 1 1 23 23 ASN N N 23 114.938 114.938 117.952 -3.014 19237
984 1 6 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.400 -0.001 19237
985 1 6 . 1 1 23 23 ASN H H 23 8.271 8.271 8.545 -0.274 19237
986 1 6 . 1 1 24 24 GLN N N 24 120.890 120.890 120.065 0.825 19237
987 1 6 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.042 0.065 19237
988 1 6 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.059 -0.095 19237
989 1 6 . 1 1 24 24 GLN H H 24 8.221 8.221 8.312 -0.091 19237
990 1 6 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.279 -0.038 19237
991 1 6 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.144 -2.779 19237
992 1 6 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.759 12.273 19237
993 1 6 . 1 1 25 25 CYS H H 25 8.747 8.747 8.224 0.523 19237
994 1 6 . 1 1 26 26 ILE N N 26 119.696 119.696 121.872 -2.176 19237
995 1 6 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.126 -0.274 19237
996 1 6 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.280 2.751 19237
997 1 6 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.450 3.902 19237
998 1 6 . 1 1 26 26 ILE H H 26 8.198 8.198 8.321 -0.123 19237
999 1 6 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.168 -0.027 19237
1000 1 6 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.043 1.464 19237
1001 1 6 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.429 1.613 19237
1002 1 6 . 1 1 27 27 ARG H H 27 8.736 8.736 8.235 0.501 19237
1003 1 6 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.279 0.442 19237
1004 1 6 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.170 -0.549 19237
1005 1 6 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.352 1.370 19237
1006 1 6 . 1 1 28 28 LEU H H 28 8.572 8.572 8.199 0.373 19237
1007 1 6 . 1 1 29 29 GLU N N 29 115.746 115.746 115.581 0.165 19237
1008 1 6 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.513 0.297 19237
1009 1 6 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.893 1.050 19237
1010 1 6 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.371 0.677 19237
1011 1 6 . 1 1 29 29 GLU H H 29 7.032 7.032 7.784 -0.752 19237
1012 1 6 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.169 0.077 19237
1013 1 6 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.002 1.201 19237
1014 1 6 . 1 1 30 30 LYS H H 30 7.475 7.475 7.718 -0.243 19237
1015 1 6 . 1 1 31 31 ALA N N 31 120.618 120.618 120.365 0.253 19237
1016 1 6 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.021 -0.012 19237
1017 1 6 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.550 0.257 19237
1018 1 6 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.057 -6.035 19237
1019 1 6 . 1 1 31 31 ALA H H 31 7.974 7.974 8.210 -0.236 19237
1020 1 6 . 1 1 32 32 ARG N N 32 113.739 113.739 121.229 -7.490 19237
1021 1 6 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.258 0.224 19237
1022 1 6 . 1 1 32 32 ARG H H 32 8.230 8.230 8.198 0.032 19237
1023 1 6 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.601 0.149 19237
1024 1 6 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.390 1.051 19237
1025 1 6 . 1 1 33 33 HIS H H 33 7.683 7.683 7.414 0.269 19237
1026 1 6 . 1 1 34 34 GLY N N 34 110.723 110.723 106.999 3.724 19237
1027 1 6 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.819 2.639 19237
1028 1 6 . 1 1 34 34 GLY H H 34 6.313 6.313 7.005 -0.692 19237
1029 1 6 . 1 1 35 35 SER HA H 35 4.118 4.118 4.625 -0.507 19237
1030 1 6 . 1 1 35 35 SER CA C 35 61.816 61.816 57.580 4.237 19237
1031 1 6 . 1 1 35 35 SER CB C 35 73.315 73.315 66.234 7.081 19237
1032 1 6 . 1 1 35 35 SER H H 35 9.075 9.075 8.735 0.340 19237
1033 1 6 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.895 0.560 19237
1034 1 6 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.372 -3.539 19237
1035 1 6 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.143 12.116 19237
1036 1 6 . 1 1 36 36 CYS H H 36 8.552 8.552 8.611 -0.059 19237
1037 1 6 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.653 0.346 19237
1038 1 6 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.177 -1.089 19237
1039 1 6 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.260 2.490 19237
1040 1 6 . 1 1 37 37 ASN H H 37 9.079 9.079 7.740 1.339 19237
1041 1 6 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.365 -0.157 19237
1042 1 6 . 1 1 38 38 TYR H H 38 8.829 8.829 8.590 0.239 19237
1043 1 6 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.950 -0.063 19237
1044 1 6 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.351 3.511 19237
1045 1 6 . 1 1 39 39 VAL H H 39 7.680 7.680 7.529 0.151 19237
1046 1 6 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.697 0.259 19237
1047 1 6 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.046 0.519 19237
1048 1 6 . 1 1 40 40 PHE H H 40 8.441 8.441 8.039 0.402 19237
1049 1 6 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.675 0.193 19237
1050 1 6 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.881 0.736 19237
1051 1 6 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.684 0.093 19237
1052 1 6 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.710 1.888 19237
1053 1 6 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.463 1.805 19237
1054 1 6 . 1 1 42 42 ALA H H 42 8.286 8.286 7.460 0.826 19237
1055 1 6 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.469 -0.515 19237
1056 1 6 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.759 0.838 19237
1057 1 6 . 1 1 43 43 HIS CB C 43 31.205 31.205 31.384 -0.179 19237
1058 1 6 . 1 1 43 43 HIS H H 43 8.588 8.588 8.718 -0.130 19237
1059 1 6 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.840 -0.173 19237
1060 1 6 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.593 1.971 19237
1061 1 6 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.485 0.533 19237
1062 1 6 . 1 1 44 44 LYS H H 44 8.825 8.825 8.955 -0.130 19237
1063 1 6 . 1 1 45 45 CYS N N 45 120.533 120.533 122.781 -2.248 19237
1064 1 6 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.134 0.580 19237
1065 1 6 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.943 10.477 19237
1066 1 6 . 1 1 45 45 CYS H H 45 9.154 9.154 8.658 0.496 19237
1067 1 6 . 1 1 46 46 ILE N N 46 133.530 133.530 129.462 4.068 19237
1068 1 6 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.512 -0.353 19237
1069 1 6 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.983 -0.033 19237
1070 1 6 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.654 -1.303 19237
1071 1 6 . 1 1 46 46 ILE H H 46 8.773 8.773 9.018 -0.245 19237
1072 1 6 . 1 1 47 47 CYS N N 47 120.445 120.445 127.068 -6.623 19237
1073 1 6 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.546 0.795 19237
1074 1 6 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.563 -6.475 19237
1075 1 6 . 1 1 47 47 CYS H H 47 8.520 8.520 8.904 -0.384 19237
1076 1 6 . 1 1 48 48 TYR N N 48 116.569 116.569 119.518 -2.949 19237
1077 1 6 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.692 0.588 19237
1078 1 6 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.850 2.053 19237
1079 1 6 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.357 3.163 19237
1080 1 6 . 1 1 48 48 TYR H H 48 7.870 7.870 9.136 -1.266 19237
1081 1 6 . 1 1 49 49 PHE N N 49 122.029 122.029 122.391 -0.362 19237
1082 1 6 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.989 -0.028 19237
1083 1 6 . 1 1 49 49 PHE H H 49 9.162 9.162 9.042 0.120 19237
1084 1 6 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.441 0.453 19237
1085 1 6 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.333 1.335 19237
1086 1 6 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.099 1.819 19237
1087 1 7 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.376 0.753 19237
1088 1 7 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.826 -0.159 19237
1089 1 7 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.756 3.321 19237
1090 1 7 . 1 1 3 3 LEU H H 3 8.460 8.460 8.250 0.210 19237
1091 1 7 . 1 1 4 4 CYS N N 4 122.129 122.129 121.619 0.510 19237
1092 1 7 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.689 0.445 19237
1093 1 7 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.398 2.030 19237
1094 1 7 . 1 1 4 4 CYS H H 4 9.717 9.717 8.935 0.782 19237
1095 1 7 . 1 1 5 5 GLU N N 5 122.663 122.663 124.427 -1.764 19237
1096 1 7 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.487 -0.009 19237
1097 1 7 . 1 1 5 5 GLU H H 5 8.801 8.801 8.609 0.192 19237
1098 1 7 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.869 -0.107 19237
1099 1 7 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.102 1.853 19237
1100 1 7 . 1 1 6 6 LYS H H 6 9.057 9.057 9.018 0.039 19237
1101 1 7 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.446 0.022 19237
1102 1 7 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.715 1.675 19237
1103 1 7 . 1 1 7 7 PRO CB C 7 32.996 32.996 32.377 0.619 19237
1104 1 7 . 1 1 8 8 SER HA H 8 4.751 4.751 4.342 0.409 19237
1105 1 7 . 1 1 8 8 SER CA C 8 59.388 59.388 59.032 0.356 19237
1106 1 7 . 1 1 8 8 SER CB C 8 65.016 65.016 63.545 1.471 19237
1107 1 7 . 1 1 8 8 SER H H 8 8.628 8.628 8.090 0.538 19237
1108 1 7 . 1 1 9 9 GLY N N 9 119.742 119.742 110.701 9.041 19237
1109 1 7 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.345 0.931 19237
1110 1 7 . 1 1 9 9 GLY H H 9 10.642 10.642 9.299 1.343 19237
1111 1 7 . 1 1 10 10 THR N N 10 109.252 109.252 111.222 -1.970 19237
1112 1 7 . 1 1 10 10 THR HA H 10 4.506 4.506 4.473 0.033 19237
1113 1 7 . 1 1 10 10 THR CA C 10 63.146 63.146 61.178 1.968 19237
1114 1 7 . 1 1 10 10 THR CB C 10 71.462 71.462 70.122 1.340 19237
1115 1 7 . 1 1 10 10 THR H H 10 8.204 8.204 7.665 0.539 19237
1116 1 7 . 1 1 11 11 TRP N N 11 125.850 125.850 122.512 3.338 19237
1117 1 7 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.846 -0.720 19237
1118 1 7 . 1 1 11 11 TRP CA C 11 59.332 59.332 57.569 1.762 19237
1119 1 7 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.115 -1.087 19237
1120 1 7 . 1 1 11 11 TRP H H 11 8.151 8.151 8.194 -0.043 19237
1121 1 7 . 1 1 12 12 SER N N 12 123.082 123.082 116.704 6.378 19237
1122 1 7 . 1 1 12 12 SER HA H 12 4.642 4.642 4.676 -0.034 19237
1123 1 7 . 1 1 12 12 SER CA C 12 57.769 57.769 58.064 -0.295 19237
1124 1 7 . 1 1 12 12 SER CB C 12 65.589 65.589 64.136 1.453 19237
1125 1 7 . 1 1 12 12 SER H H 12 7.364 7.364 7.918 -0.554 19237
1126 1 7 . 1 1 13 13 GLY N N 13 111.342 111.342 108.847 2.495 19237
1127 1 7 . 1 1 13 13 GLY CA C 13 44.984 44.984 45.398 -0.414 19237
1128 1 7 . 1 1 13 13 GLY H H 13 8.403 8.403 8.106 0.297 19237
1129 1 7 . 1 1 14 14 VAL N N 14 119.976 119.976 121.674 -1.698 19237
1130 1 7 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.539 -0.474 19237
1131 1 7 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.623 0.800 19237
1132 1 7 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.111 0.426 19237
1133 1 7 . 1 1 14 14 VAL H H 14 8.540 8.540 8.124 0.416 19237
1134 1 7 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.285 -0.339 19237
1135 1 7 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.576 0.343 19237
1136 1 7 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.237 10.424 19237
1137 1 7 . 1 1 15 15 CYS H H 15 8.289 8.289 8.534 -0.245 19237
1138 1 7 . 1 1 16 16 GLY N N 16 114.030 114.030 108.571 5.459 19237
1139 1 7 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.971 -0.163 19237
1140 1 7 . 1 1 16 16 GLY H H 16 8.610 8.610 8.925 -0.315 19237
1141 1 7 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.883 -0.007 19237
1142 1 7 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.316 1.039 19237
1143 1 7 . 1 1 17 17 ASN H H 17 7.335 7.335 8.023 -0.688 19237
1144 1 7 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.488 -0.236 19237
1145 1 7 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.083 1.399 19237
1146 1 7 . 1 1 18 18 ASN H H 18 9.056 9.056 8.922 0.134 19237
1147 1 7 . 1 1 19 19 GLY N N 19 107.723 107.723 107.366 0.357 19237
1148 1 7 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.120 1.850 19237
1149 1 7 . 1 1 19 19 GLY H H 19 8.565 8.565 8.397 0.168 19237
1150 1 7 . 1 1 20 20 ALA N N 20 124.931 124.931 123.759 1.172 19237
1151 1 7 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.205 0.153 19237
1152 1 7 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.872 0.886 19237
1153 1 7 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.373 1.161 19237
1154 1 7 . 1 1 20 20 ALA H H 20 7.949 7.949 7.822 0.127 19237
1155 1 7 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.648 0.526 19237
1156 1 7 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.200 -1.917 19237
1157 1 7 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.688 13.114 19237
1158 1 7 . 1 1 21 21 CYS H H 21 7.335 7.335 8.056 -0.721 19237
1159 1 7 . 1 1 22 22 ARG N N 22 122.243 122.243 121.238 1.005 19237
1160 1 7 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.562 -0.313 19237
1161 1 7 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.746 -5.697 19237
1162 1 7 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.663 0.085 19237
1163 1 7 . 1 1 22 22 ARG H H 22 8.494 8.494 8.031 0.463 19237
1164 1 7 . 1 1 23 23 ASN N N 23 114.938 114.938 117.345 -2.407 19237
1165 1 7 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.366 0.033 19237
1166 1 7 . 1 1 23 23 ASN H H 23 8.271 8.271 8.438 -0.167 19237
1167 1 7 . 1 1 24 24 GLN N N 24 120.890 120.890 119.940 0.950 19237
1168 1 7 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.144 -0.037 19237
1169 1 7 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.096 -0.132 19237
1170 1 7 . 1 1 24 24 GLN H H 24 8.221 8.221 7.874 0.347 19237
1171 1 7 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.243 -0.002 19237
1172 1 7 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.030 -2.665 19237
1173 1 7 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.566 12.466 19237
1174 1 7 . 1 1 25 25 CYS H H 25 8.747 8.747 8.161 0.586 19237
1175 1 7 . 1 1 26 26 ILE N N 26 119.696 119.696 121.572 -1.876 19237
1176 1 7 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.175 -0.323 19237
1177 1 7 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.411 2.620 19237
1178 1 7 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.482 3.870 19237
1179 1 7 . 1 1 26 26 ILE H H 26 8.198 8.198 8.249 -0.051 19237
1180 1 7 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.201 -0.060 19237
1181 1 7 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.110 1.397 19237
1182 1 7 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.522 1.520 19237
1183 1 7 . 1 1 27 27 ARG H H 27 8.736 8.736 7.764 0.972 19237
1184 1 7 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.240 0.481 19237
1185 1 7 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.083 -0.462 19237
1186 1 7 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.597 1.125 19237
1187 1 7 . 1 1 28 28 LEU H H 28 8.572 8.572 8.152 0.420 19237
1188 1 7 . 1 1 29 29 GLU N N 29 115.746 115.746 115.442 0.304 19237
1189 1 7 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.475 0.335 19237
1190 1 7 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.183 0.760 19237
1191 1 7 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.385 0.663 19237
1192 1 7 . 1 1 29 29 GLU H H 29 7.032 7.032 7.700 -0.668 19237
1193 1 7 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.210 0.036 19237
1194 1 7 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.844 1.359 19237
1195 1 7 . 1 1 30 30 LYS H H 30 7.475 7.475 7.732 -0.257 19237
1196 1 7 . 1 1 31 31 ALA N N 31 120.618 120.618 120.798 -0.180 19237
1197 1 7 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.982 0.027 19237
1198 1 7 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.791 0.016 19237
1199 1 7 . 1 1 31 31 ALA CB C 31 14.022 14.022 19.715 -5.693 19237
1200 1 7 . 1 1 31 31 ALA H H 31 7.974 7.974 8.356 -0.382 19237
1201 1 7 . 1 1 32 32 ARG N N 32 113.739 113.739 121.484 -7.745 19237
1202 1 7 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.378 0.104 19237
1203 1 7 . 1 1 32 32 ARG H H 32 8.230 8.230 8.462 -0.232 19237
1204 1 7 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.659 0.091 19237
1205 1 7 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.392 1.049 19237
1206 1 7 . 1 1 33 33 HIS H H 33 7.683 7.683 7.546 0.137 19237
1207 1 7 . 1 1 34 34 GLY N N 34 110.723 110.723 107.342 3.381 19237
1208 1 7 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.192 2.265 19237
1209 1 7 . 1 1 34 34 GLY H H 34 6.313 6.313 7.119 -0.806 19237
1210 1 7 . 1 1 35 35 SER HA H 35 4.118 4.118 4.818 -0.700 19237
1211 1 7 . 1 1 35 35 SER CA C 35 61.816 61.816 57.106 4.710 19237
1212 1 7 . 1 1 35 35 SER CB C 35 73.315 73.315 66.305 7.010 19237
1213 1 7 . 1 1 35 35 SER H H 35 9.075 9.075 8.783 0.292 19237
1214 1 7 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.714 0.741 19237
1215 1 7 . 1 1 36 36 CYS CA C 36 52.833 52.833 58.345 -5.512 19237
1216 1 7 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.865 12.394 19237
1217 1 7 . 1 1 36 36 CYS H H 36 8.552 8.552 8.685 -0.133 19237
1218 1 7 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.775 0.224 19237
1219 1 7 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.662 -0.574 19237
1220 1 7 . 1 1 37 37 ASN CB C 37 42.750 42.750 41.216 1.534 19237
1221 1 7 . 1 1 37 37 ASN H H 37 9.079 9.079 7.908 1.171 19237
1222 1 7 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.371 -0.163 19237
1223 1 7 . 1 1 38 38 TYR H H 38 8.829 8.829 8.610 0.219 19237
1224 1 7 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.909 -0.022 19237
1225 1 7 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.524 3.338 19237
1226 1 7 . 1 1 39 39 VAL H H 39 7.680 7.680 7.799 -0.119 19237
1227 1 7 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.549 0.407 19237
1228 1 7 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.097 0.468 19237
1229 1 7 . 1 1 40 40 PHE H H 40 8.441 8.441 7.923 0.518 19237
1230 1 7 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.726 0.142 19237
1231 1 7 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.798 0.819 19237
1232 1 7 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.627 0.150 19237
1233 1 7 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.574 2.024 19237
1234 1 7 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.841 1.427 19237
1235 1 7 . 1 1 42 42 ALA H H 42 8.286 8.286 7.351 0.935 19237
1236 1 7 . 1 1 43 43 HIS HA H 43 4.954 4.954 4.912 0.042 19237
1237 1 7 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.206 0.391 19237
1238 1 7 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.297 0.908 19237
1239 1 7 . 1 1 43 43 HIS H H 43 8.588 8.588 8.667 -0.079 19237
1240 1 7 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.731 -0.064 19237
1241 1 7 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.656 1.908 19237
1242 1 7 . 1 1 44 44 LYS CB C 44 37.018 37.018 35.115 1.903 19237
1243 1 7 . 1 1 44 44 LYS H H 44 8.825 8.825 8.972 -0.147 19237
1244 1 7 . 1 1 45 45 CYS N N 45 120.533 120.533 122.843 -2.310 19237
1245 1 7 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.189 0.525 19237
1246 1 7 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.656 10.764 19237
1247 1 7 . 1 1 45 45 CYS H H 45 9.154 9.154 8.565 0.589 19237
1248 1 7 . 1 1 46 46 ILE N N 46 133.530 133.530 130.351 3.179 19237
1249 1 7 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.689 -0.530 19237
1250 1 7 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.992 -0.042 19237
1251 1 7 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.325 -0.973 19237
1252 1 7 . 1 1 46 46 ILE H H 46 8.773 8.773 8.967 -0.194 19237
1253 1 7 . 1 1 47 47 CYS N N 47 120.445 120.445 127.243 -6.798 19237
1254 1 7 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.542 0.799 19237
1255 1 7 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.468 -6.380 19237
1256 1 7 . 1 1 47 47 CYS H H 47 8.520 8.520 9.047 -0.527 19237
1257 1 7 . 1 1 48 48 TYR N N 48 116.569 116.569 119.863 -3.294 19237
1258 1 7 . 1 1 48 48 TYR HA H 48 5.280 5.280 5.003 0.277 19237
1259 1 7 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.974 1.929 19237
1260 1 7 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.395 3.125 19237
1261 1 7 . 1 1 48 48 TYR H H 48 7.870 7.870 9.231 -1.361 19237
1262 1 7 . 1 1 49 49 PHE N N 49 122.029 122.029 122.369 -0.340 19237
1263 1 7 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.999 -0.038 19237
1264 1 7 . 1 1 49 49 PHE H H 49 9.162 9.162 9.225 -0.063 19237
1265 1 7 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.393 0.501 19237
1266 1 7 . 1 1 50 50 PRO CA C 50 64.668 64.668 62.990 1.678 19237
1267 1 7 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.317 1.601 19237
1268 1 8 . 1 1 3 3 LEU HA H 3 5.129 5.129 5.157 -0.028 19237
1269 1 8 . 1 1 3 3 LEU CA C 3 54.667 54.667 53.895 0.772 19237
1270 1 8 . 1 1 3 3 LEU CB C 3 46.077 46.077 44.911 1.166 19237
1271 1 8 . 1 1 3 3 LEU H H 3 8.460 8.460 7.984 0.476 19237
1272 1 8 . 1 1 4 4 CYS N N 4 122.129 122.129 123.906 -1.777 19237
1273 1 8 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.691 0.443 19237
1274 1 8 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.545 1.883 19237
1275 1 8 . 1 1 4 4 CYS H H 4 9.717 9.717 9.223 0.494 19237
1276 1 8 . 1 1 5 5 GLU N N 5 122.663 122.663 125.388 -2.725 19237
1277 1 8 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.517 -0.038 19237
1278 1 8 . 1 1 5 5 GLU H H 5 8.801 8.801 8.616 0.185 19237
1279 1 8 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.858 -0.096 19237
1280 1 8 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.642 1.313 19237
1281 1 8 . 1 1 6 6 LYS H H 6 9.057 9.057 8.992 0.065 19237
1282 1 8 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.442 0.026 19237
1283 1 8 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.873 1.516 19237
1284 1 8 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.768 1.228 19237
1285 1 8 . 1 1 8 8 SER HA H 8 4.751 4.751 4.438 0.313 19237
1286 1 8 . 1 1 8 8 SER CA C 8 59.388 59.388 59.383 0.005 19237
1287 1 8 . 1 1 8 8 SER CB C 8 65.016 65.016 63.691 1.325 19237
1288 1 8 . 1 1 8 8 SER H H 8 8.628 8.628 8.227 0.401 19237
1289 1 8 . 1 1 9 9 GLY N N 9 119.742 119.742 109.679 10.063 19237
1290 1 8 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.473 0.803 19237
1291 1 8 . 1 1 9 9 GLY H H 9 10.642 10.642 9.390 1.252 19237
1292 1 8 . 1 1 10 10 THR N N 10 109.252 109.252 111.666 -2.414 19237
1293 1 8 . 1 1 10 10 THR HA H 10 4.506 4.506 4.462 0.044 19237
1294 1 8 . 1 1 10 10 THR CA C 10 63.146 63.146 61.432 1.714 19237
1295 1 8 . 1 1 10 10 THR CB C 10 71.462 71.462 70.173 1.289 19237
1296 1 8 . 1 1 10 10 THR H H 10 8.204 8.204 7.967 0.237 19237
1297 1 8 . 1 1 11 11 TRP N N 11 125.850 125.850 122.884 2.966 19237
1298 1 8 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.802 -0.676 19237
1299 1 8 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.640 0.692 19237
1300 1 8 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.214 -1.186 19237
1301 1 8 . 1 1 11 11 TRP H H 11 8.151 8.151 8.130 0.021 19237
1302 1 8 . 1 1 12 12 SER N N 12 123.082 123.082 115.811 7.271 19237
1303 1 8 . 1 1 12 12 SER HA H 12 4.642 4.642 4.707 -0.065 19237
1304 1 8 . 1 1 12 12 SER CA C 12 57.769 57.769 57.701 0.068 19237
1305 1 8 . 1 1 12 12 SER CB C 12 65.589 65.589 66.193 -0.604 19237
1306 1 8 . 1 1 12 12 SER H H 12 7.364 7.364 7.796 -0.432 19237
1307 1 8 . 1 1 13 13 GLY N N 13 111.342 111.342 110.227 1.115 19237
1308 1 8 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.856 0.128 19237
1309 1 8 . 1 1 13 13 GLY H H 13 8.403 8.403 8.137 0.266 19237
1310 1 8 . 1 1 14 14 VAL N N 14 119.976 119.976 120.839 -0.863 19237
1311 1 8 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.291 -0.226 19237
1312 1 8 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.795 1.628 19237
1313 1 8 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.271 1.266 19237
1314 1 8 . 1 1 14 14 VAL H H 14 8.540 8.540 8.146 0.394 19237
1315 1 8 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.069 -0.123 19237
1316 1 8 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.448 -0.529 19237
1317 1 8 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.368 10.293 19237
1318 1 8 . 1 1 15 15 CYS H H 15 8.289 8.289 8.810 -0.521 19237
1319 1 8 . 1 1 16 16 GLY N N 16 114.030 114.030 112.408 1.622 19237
1320 1 8 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.139 0.669 19237
1321 1 8 . 1 1 16 16 GLY H H 16 8.610 8.610 8.687 -0.077 19237
1322 1 8 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.740 0.136 19237
1323 1 8 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.728 0.626 19237
1324 1 8 . 1 1 17 17 ASN H H 17 7.335 7.335 7.661 -0.326 19237
1325 1 8 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.578 -0.326 19237
1326 1 8 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.934 0.547 19237
1327 1 8 . 1 1 18 18 ASN H H 18 9.056 9.056 8.722 0.334 19237
1328 1 8 . 1 1 19 19 GLY N N 19 107.723 107.723 109.441 -1.718 19237
1329 1 8 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.321 1.649 19237
1330 1 8 . 1 1 19 19 GLY H H 19 8.565 8.565 8.353 0.212 19237
1331 1 8 . 1 1 20 20 ALA N N 20 124.931 124.931 124.738 0.193 19237
1332 1 8 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.263 0.095 19237
1333 1 8 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.748 1.010 19237
1334 1 8 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.147 1.387 19237
1335 1 8 . 1 1 20 20 ALA H H 20 7.949 7.949 8.415 -0.466 19237
1336 1 8 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.666 0.508 19237
1337 1 8 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.148 -1.865 19237
1338 1 8 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.736 13.066 19237
1339 1 8 . 1 1 21 21 CYS H H 21 7.335 7.335 7.928 -0.593 19237
1340 1 8 . 1 1 22 22 ARG N N 22 122.243 122.243 121.120 1.123 19237
1341 1 8 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.697 -0.448 19237
1342 1 8 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.760 -5.711 19237
1343 1 8 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.771 -0.023 19237
1344 1 8 . 1 1 22 22 ARG H H 22 8.494 8.494 7.810 0.684 19237
1345 1 8 . 1 1 23 23 ASN N N 23 114.938 114.938 117.781 -2.843 19237
1346 1 8 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.361 0.038 19237
1347 1 8 . 1 1 23 23 ASN H H 23 8.271 8.271 8.554 -0.283 19237
1348 1 8 . 1 1 24 24 GLN N N 24 120.890 120.890 119.849 1.041 19237
1349 1 8 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.087 0.020 19237
1350 1 8 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.048 -0.084 19237
1351 1 8 . 1 1 24 24 GLN H H 24 8.221 8.221 7.976 0.245 19237
1352 1 8 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.232 0.009 19237
1353 1 8 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.966 -2.601 19237
1354 1 8 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.626 12.406 19237
1355 1 8 . 1 1 25 25 CYS H H 25 8.747 8.747 7.951 0.796 19237
1356 1 8 . 1 1 26 26 ILE N N 26 119.696 119.696 121.409 -1.713 19237
1357 1 8 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.222 -0.370 19237
1358 1 8 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.571 2.460 19237
1359 1 8 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.336 4.016 19237
1360 1 8 . 1 1 26 26 ILE H H 26 8.198 8.198 8.129 0.069 19237
1361 1 8 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.245 -0.104 19237
1362 1 8 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.120 2.387 19237
1363 1 8 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.019 2.023 19237
1364 1 8 . 1 1 27 27 ARG H H 27 8.736 8.736 7.833 0.903 19237
1365 1 8 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.291 0.430 19237
1366 1 8 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.024 -0.403 19237
1367 1 8 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.205 1.517 19237
1368 1 8 . 1 1 28 28 LEU H H 28 8.572 8.572 8.081 0.491 19237
1369 1 8 . 1 1 29 29 GLU N N 29 115.746 115.746 116.176 -0.430 19237
1370 1 8 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.496 0.314 19237
1371 1 8 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.032 0.911 19237
1372 1 8 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.517 0.531 19237
1373 1 8 . 1 1 29 29 GLU H H 29 7.032 7.032 7.739 -0.707 19237
1374 1 8 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.168 0.078 19237
1375 1 8 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.059 1.144 19237
1376 1 8 . 1 1 30 30 LYS H H 30 7.475 7.475 7.620 -0.145 19237
1377 1 8 . 1 1 31 31 ALA N N 31 120.618 120.618 120.107 0.511 19237
1378 1 8 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.981 0.028 19237
1379 1 8 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.304 0.503 19237
1380 1 8 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.393 -6.371 19237
1381 1 8 . 1 1 31 31 ALA H H 31 7.974 7.974 8.219 -0.245 19237
1382 1 8 . 1 1 32 32 ARG N N 32 113.739 113.739 120.823 -7.084 19237
1383 1 8 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.453 0.029 19237
1384 1 8 . 1 1 32 32 ARG H H 32 8.230 8.230 8.361 -0.131 19237
1385 1 8 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.659 0.091 19237
1386 1 8 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.400 1.041 19237
1387 1 8 . 1 1 33 33 HIS H H 33 7.683 7.683 7.558 0.125 19237
1388 1 8 . 1 1 34 34 GLY N N 34 110.723 110.723 107.128 3.595 19237
1389 1 8 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.892 2.565 19237
1390 1 8 . 1 1 34 34 GLY H H 34 6.313 6.313 7.044 -0.731 19237
1391 1 8 . 1 1 35 35 SER HA H 35 4.118 4.118 4.628 -0.510 19237
1392 1 8 . 1 1 35 35 SER CA C 35 61.816 61.816 57.061 4.755 19237
1393 1 8 . 1 1 35 35 SER CB C 35 73.315 73.315 67.136 6.178 19237
1394 1 8 . 1 1 35 35 SER H H 35 9.075 9.075 8.623 0.452 19237
1395 1 8 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.255 0.200 19237
1396 1 8 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.097 -4.264 19237
1397 1 8 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.761 11.498 19237
1398 1 8 . 1 1 36 36 CYS H H 36 8.552 8.552 9.276 -0.724 19237
1399 1 8 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.657 0.342 19237
1400 1 8 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.169 -0.081 19237
1401 1 8 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.488 3.262 19237
1402 1 8 . 1 1 37 37 ASN H H 37 9.079 9.079 8.204 0.875 19237
1403 1 8 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.270 -0.062 19237
1404 1 8 . 1 1 38 38 TYR H H 38 8.829 8.829 8.488 0.341 19237
1405 1 8 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.961 -0.074 19237
1406 1 8 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.200 3.662 19237
1407 1 8 . 1 1 39 39 VAL H H 39 7.680 7.680 7.941 -0.261 19237
1408 1 8 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.724 0.232 19237
1409 1 8 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.574 -0.009 19237
1410 1 8 . 1 1 40 40 PHE H H 40 8.441 8.441 7.934 0.507 19237
1411 1 8 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.371 0.497 19237
1412 1 8 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.828 0.789 19237
1413 1 8 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.720 0.057 19237
1414 1 8 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.861 1.737 19237
1415 1 8 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.541 1.727 19237
1416 1 8 . 1 1 42 42 ALA H H 42 8.286 8.286 7.223 1.063 19237
1417 1 8 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.227 -0.273 19237
1418 1 8 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.550 0.047 19237
1419 1 8 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.849 0.356 19237
1420 1 8 . 1 1 43 43 HIS H H 43 8.588 8.588 8.728 -0.140 19237
1421 1 8 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.895 -0.228 19237
1422 1 8 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.386 2.178 19237
1423 1 8 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.416 0.602 19237
1424 1 8 . 1 1 44 44 LYS H H 44 8.825 8.825 8.631 0.194 19237
1425 1 8 . 1 1 45 45 CYS N N 45 120.533 120.533 120.595 -0.062 19237
1426 1 8 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.473 0.241 19237
1427 1 8 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.257 10.163 19237
1428 1 8 . 1 1 45 45 CYS H H 45 9.154 9.154 8.785 0.369 19237
1429 1 8 . 1 1 46 46 ILE N N 46 133.530 133.530 130.247 3.283 19237
1430 1 8 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.717 -0.558 19237
1431 1 8 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.870 0.080 19237
1432 1 8 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.844 -0.493 19237
1433 1 8 . 1 1 46 46 ILE H H 46 8.773 8.773 9.136 -0.363 19237
1434 1 8 . 1 1 47 47 CYS N N 47 120.445 120.445 127.239 -6.794 19237
1435 1 8 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.587 0.754 19237
1436 1 8 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.408 -6.320 19237
1437 1 8 . 1 1 47 47 CYS H H 47 8.520 8.520 9.109 -0.589 19237
1438 1 8 . 1 1 48 48 TYR N N 48 116.569 116.569 120.547 -3.978 19237
1439 1 8 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.674 0.606 19237
1440 1 8 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.128 1.775 19237
1441 1 8 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.267 3.253 19237
1442 1 8 . 1 1 48 48 TYR H H 48 7.870 7.870 9.268 -1.398 19237
1443 1 8 . 1 1 49 49 PHE N N 49 122.029 122.029 121.767 0.262 19237
1444 1 8 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.995 -0.034 19237
1445 1 8 . 1 1 49 49 PHE H H 49 9.162 9.162 8.573 0.589 19237
1446 1 8 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.606 0.288 19237
1447 1 8 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.315 1.353 19237
1448 1 8 . 1 1 50 50 PRO CB C 50 32.918 32.918 30.980 1.938 19237
1449 1 9 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.748 0.381 19237
1450 1 9 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.162 0.505 19237
1451 1 9 . 1 1 3 3 LEU CB C 3 46.077 46.077 43.938 2.139 19237
1452 1 9 . 1 1 3 3 LEU H H 3 8.460 8.460 8.462 -0.002 19237
1453 1 9 . 1 1 4 4 CYS N N 4 122.129 122.129 123.164 -1.035 19237
1454 1 9 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.826 0.308 19237
1455 1 9 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.586 1.842 19237
1456 1 9 . 1 1 4 4 CYS H H 4 9.717 9.717 9.254 0.463 19237
1457 1 9 . 1 1 5 5 GLU N N 5 122.663 122.663 124.748 -2.085 19237
1458 1 9 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.796 -0.317 19237
1459 1 9 . 1 1 5 5 GLU H H 5 8.801 8.801 8.748 0.053 19237
1460 1 9 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.842 -0.080 19237
1461 1 9 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.345 1.610 19237
1462 1 9 . 1 1 6 6 LYS H H 6 9.057 9.057 8.892 0.165 19237
1463 1 9 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.407 0.061 19237
1464 1 9 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.842 1.548 19237
1465 1 9 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.977 1.018 19237
1466 1 9 . 1 1 8 8 SER HA H 8 4.751 4.751 4.315 0.436 19237
1467 1 9 . 1 1 8 8 SER CA C 8 59.388 59.388 58.952 0.436 19237
1468 1 9 . 1 1 8 8 SER CB C 8 65.016 65.016 63.479 1.537 19237
1469 1 9 . 1 1 8 8 SER H H 8 8.628 8.628 8.286 0.342 19237
1470 1 9 . 1 1 9 9 GLY N N 9 119.742 119.742 108.948 10.794 19237
1471 1 9 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.468 0.808 19237
1472 1 9 . 1 1 9 9 GLY H H 9 10.642 10.642 9.212 1.430 19237
1473 1 9 . 1 1 10 10 THR N N 10 109.252 109.252 109.954 -0.702 19237
1474 1 9 . 1 1 10 10 THR HA H 10 4.506 4.506 4.527 -0.021 19237
1475 1 9 . 1 1 10 10 THR CA C 10 63.146 63.146 61.336 1.810 19237
1476 1 9 . 1 1 10 10 THR CB C 10 71.462 71.462 70.042 1.420 19237
1477 1 9 . 1 1 10 10 THR H H 10 8.204 8.204 7.754 0.450 19237
1478 1 9 . 1 1 11 11 TRP N N 11 125.850 125.850 122.894 2.956 19237
1479 1 9 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.827 -0.701 19237
1480 1 9 . 1 1 11 11 TRP CA C 11 59.332 59.332 56.970 2.362 19237
1481 1 9 . 1 1 11 11 TRP CB C 11 30.028 30.028 32.719 -2.691 19237
1482 1 9 . 1 1 11 11 TRP H H 11 8.151 8.151 7.774 0.377 19237
1483 1 9 . 1 1 12 12 SER N N 12 123.082 123.082 116.795 6.287 19237
1484 1 9 . 1 1 12 12 SER HA H 12 4.642 4.642 4.747 -0.105 19237
1485 1 9 . 1 1 12 12 SER CA C 12 57.769 57.769 58.076 -0.307 19237
1486 1 9 . 1 1 12 12 SER CB C 12 65.589 65.589 63.821 1.768 19237
1487 1 9 . 1 1 12 12 SER H H 12 7.364 7.364 8.313 -0.949 19237
1488 1 9 . 1 1 13 13 GLY N N 13 111.342 111.342 113.739 -2.397 19237
1489 1 9 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.573 0.411 19237
1490 1 9 . 1 1 13 13 GLY H H 13 8.403 8.403 8.536 -0.133 19237
1491 1 9 . 1 1 14 14 VAL N N 14 119.976 119.976 121.585 -1.609 19237
1492 1 9 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.776 -0.711 19237
1493 1 9 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.060 2.363 19237
1494 1 9 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.597 1.940 19237
1495 1 9 . 1 1 14 14 VAL H H 14 8.540 8.540 8.301 0.239 19237
1496 1 9 . 1 1 15 15 CYS HA H 15 4.946 4.946 4.998 -0.052 19237
1497 1 9 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.640 0.279 19237
1498 1 9 . 1 1 15 15 CYS CB C 15 39.661 39.661 27.373 12.288 19237
1499 1 9 . 1 1 15 15 CYS H H 15 8.289 8.289 8.492 -0.203 19237
1500 1 9 . 1 1 16 16 GLY N N 16 114.030 114.030 109.414 4.616 19237
1501 1 9 . 1 1 16 16 GLY CA C 16 45.808 45.808 46.026 -0.218 19237
1502 1 9 . 1 1 16 16 GLY H H 16 8.610 8.610 9.037 -0.427 19237
1503 1 9 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.884 -0.008 19237
1504 1 9 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.277 1.078 19237
1505 1 9 . 1 1 17 17 ASN H H 17 7.335 7.335 7.935 -0.600 19237
1506 1 9 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.410 -0.158 19237
1507 1 9 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.036 1.445 19237
1508 1 9 . 1 1 18 18 ASN H H 18 9.056 9.056 8.937 0.119 19237
1509 1 9 . 1 1 19 19 GLY N N 19 107.723 107.723 107.411 0.312 19237
1510 1 9 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.312 1.658 19237
1511 1 9 . 1 1 19 19 GLY H H 19 8.565 8.565 8.431 0.134 19237
1512 1 9 . 1 1 20 20 ALA N N 20 124.931 124.931 123.503 1.428 19237
1513 1 9 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.167 0.191 19237
1514 1 9 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.877 0.881 19237
1515 1 9 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.336 1.198 19237
1516 1 9 . 1 1 20 20 ALA H H 20 7.949 7.949 7.817 0.132 19237
1517 1 9 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.728 0.446 19237
1518 1 9 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.369 -2.086 19237
1519 1 9 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.725 13.077 19237
1520 1 9 . 1 1 21 21 CYS H H 21 7.335 7.335 8.119 -0.784 19237
1521 1 9 . 1 1 22 22 ARG N N 22 122.243 122.243 120.851 1.392 19237
1522 1 9 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.737 -0.488 19237
1523 1 9 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.827 -5.777 19237
1524 1 9 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.852 -0.104 19237
1525 1 9 . 1 1 22 22 ARG H H 22 8.494 8.494 8.023 0.471 19237
1526 1 9 . 1 1 23 23 ASN N N 23 114.938 114.938 117.337 -2.399 19237
1527 1 9 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.438 -0.039 19237
1528 1 9 . 1 1 23 23 ASN H H 23 8.271 8.271 8.601 -0.330 19237
1529 1 9 . 1 1 24 24 GLN N N 24 120.890 120.890 120.707 0.183 19237
1530 1 9 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.196 -0.089 19237
1531 1 9 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.171 -0.207 19237
1532 1 9 . 1 1 24 24 GLN H H 24 8.221 8.221 7.900 0.321 19237
1533 1 9 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.257 -0.016 19237
1534 1 9 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.897 -2.532 19237
1535 1 9 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.622 12.410 19237
1536 1 9 . 1 1 25 25 CYS H H 25 8.747 8.747 8.111 0.636 19237
1537 1 9 . 1 1 26 26 ILE N N 26 119.696 119.696 121.896 -2.200 19237
1538 1 9 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.114 -0.262 19237
1539 1 9 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.482 2.549 19237
1540 1 9 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.447 3.905 19237
1541 1 9 . 1 1 26 26 ILE H H 26 8.198 8.198 8.404 -0.206 19237
1542 1 9 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.140 0.001 19237
1543 1 9 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.026 1.481 19237
1544 1 9 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.378 1.665 19237
1545 1 9 . 1 1 27 27 ARG H H 27 8.736 8.736 7.733 1.003 19237
1546 1 9 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.307 0.414 19237
1547 1 9 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.088 -0.467 19237
1548 1 9 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.403 1.319 19237
1549 1 9 . 1 1 28 28 LEU H H 28 8.572 8.572 8.232 0.340 19237
1550 1 9 . 1 1 29 29 GLU N N 29 115.746 115.746 116.141 -0.395 19237
1551 1 9 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.481 0.329 19237
1552 1 9 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.150 0.793 19237
1553 1 9 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.421 0.627 19237
1554 1 9 . 1 1 29 29 GLU H H 29 7.032 7.032 7.800 -0.768 19237
1555 1 9 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.124 0.122 19237
1556 1 9 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.031 1.172 19237
1557 1 9 . 1 1 30 30 LYS H H 30 7.475 7.475 7.732 -0.257 19237
1558 1 9 . 1 1 31 31 ALA N N 31 120.618 120.618 120.311 0.307 19237
1559 1 9 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.917 0.092 19237
1560 1 9 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.120 0.687 19237
1561 1 9 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.205 -6.183 19237
1562 1 9 . 1 1 31 31 ALA H H 31 7.974 7.974 8.142 -0.168 19237
1563 1 9 . 1 1 32 32 ARG N N 32 113.739 113.739 120.401 -6.662 19237
1564 1 9 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.360 0.122 19237
1565 1 9 . 1 1 32 32 ARG H H 32 8.230 8.230 8.181 0.049 19237
1566 1 9 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.730 0.020 19237
1567 1 9 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.925 0.516 19237
1568 1 9 . 1 1 33 33 HIS H H 33 7.683 7.683 7.663 0.020 19237
1569 1 9 . 1 1 34 34 GLY N N 34 110.723 110.723 107.574 3.149 19237
1570 1 9 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.030 2.427 19237
1571 1 9 . 1 1 34 34 GLY H H 34 6.313 6.313 7.207 -0.894 19237
1572 1 9 . 1 1 35 35 SER HA H 35 4.118 4.118 4.782 -0.664 19237
1573 1 9 . 1 1 35 35 SER CA C 35 61.816 61.816 57.585 4.231 19237
1574 1 9 . 1 1 35 35 SER CB C 35 73.315 73.315 65.449 7.866 19237
1575 1 9 . 1 1 35 35 SER H H 35 9.075 9.075 8.842 0.233 19237
1576 1 9 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.960 0.495 19237
1577 1 9 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.282 -4.449 19237
1578 1 9 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.787 12.472 19237
1579 1 9 . 1 1 36 36 CYS H H 36 8.552 8.552 8.608 -0.056 19237
1580 1 9 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.686 0.313 19237
1581 1 9 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.248 -1.160 19237
1582 1 9 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.033 2.717 19237
1583 1 9 . 1 1 37 37 ASN H H 37 9.079 9.079 7.827 1.252 19237
1584 1 9 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.352 -0.144 19237
1585 1 9 . 1 1 38 38 TYR H H 38 8.829 8.829 8.601 0.228 19237
1586 1 9 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.929 -0.042 19237
1587 1 9 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.307 3.555 19237
1588 1 9 . 1 1 39 39 VAL H H 39 7.680 7.680 7.718 -0.038 19237
1589 1 9 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.751 0.205 19237
1590 1 9 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.654 -0.089 19237
1591 1 9 . 1 1 40 40 PHE H H 40 8.441 8.441 8.241 0.200 19237
1592 1 9 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.721 0.147 19237
1593 1 9 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.997 0.620 19237
1594 1 9 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.632 0.145 19237
1595 1 9 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.765 1.833 19237
1596 1 9 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.544 1.724 19237
1597 1 9 . 1 1 42 42 ALA H H 42 8.286 8.286 7.627 0.659 19237
1598 1 9 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.598 -0.644 19237
1599 1 9 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.136 1.461 19237
1600 1 9 . 1 1 43 43 HIS CB C 43 31.205 31.205 32.377 -1.172 19237
1601 1 9 . 1 1 43 43 HIS H H 43 8.588 8.588 8.547 0.041 19237
1602 1 9 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.890 -0.223 19237
1603 1 9 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.221 2.342 19237
1604 1 9 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.124 0.894 19237
1605 1 9 . 1 1 44 44 LYS H H 44 8.825 8.825 8.671 0.154 19237
1606 1 9 . 1 1 45 45 CYS N N 45 120.533 120.533 123.317 -2.784 19237
1607 1 9 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.242 0.472 19237
1608 1 9 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.963 10.457 19237
1609 1 9 . 1 1 45 45 CYS H H 45 9.154 9.154 8.853 0.301 19237
1610 1 9 . 1 1 46 46 ILE N N 46 133.530 133.530 129.471 4.059 19237
1611 1 9 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.579 -0.420 19237
1612 1 9 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.681 0.269 19237
1613 1 9 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.616 -1.265 19237
1614 1 9 . 1 1 46 46 ILE H H 46 8.773 8.773 8.488 0.285 19237
1615 1 9 . 1 1 47 47 CYS N N 47 120.445 120.445 126.723 -6.278 19237
1616 1 9 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.617 0.724 19237
1617 1 9 . 1 1 47 47 CYS CA C 47 52.088 52.088 57.911 -5.823 19237
1618 1 9 . 1 1 47 47 CYS H H 47 8.520 8.520 9.037 -0.517 19237
1619 1 9 . 1 1 48 48 TYR N N 48 116.569 116.569 120.495 -3.926 19237
1620 1 9 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.915 0.365 19237
1621 1 9 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.680 1.223 19237
1622 1 9 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.867 2.653 19237
1623 1 9 . 1 1 48 48 TYR H H 48 7.870 7.870 9.206 -1.336 19237
1624 1 9 . 1 1 49 49 PHE N N 49 122.029 122.029 122.447 -0.418 19237
1625 1 9 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.020 -0.059 19237
1626 1 9 . 1 1 49 49 PHE H H 49 9.162 9.162 9.297 -0.135 19237
1627 1 9 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.427 0.467 19237
1628 1 9 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.232 1.436 19237
1629 1 9 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.444 1.474 19237
1630 1 10 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.269 0.860 19237
1631 1 10 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.218 -0.551 19237
1632 1 10 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.521 3.556 19237
1633 1 10 . 1 1 3 3 LEU H H 3 8.460 8.460 8.253 0.207 19237
1634 1 10 . 1 1 4 4 CYS N N 4 122.129 122.129 122.464 -0.335 19237
1635 1 10 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.519 0.615 19237
1636 1 10 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.965 1.464 19237
1637 1 10 . 1 1 4 4 CYS H H 4 9.717 9.717 8.833 0.884 19237
1638 1 10 . 1 1 5 5 GLU N N 5 122.663 122.663 125.693 -3.030 19237
1639 1 10 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.673 -0.194 19237
1640 1 10 . 1 1 5 5 GLU H H 5 8.801 8.801 8.611 0.190 19237
1641 1 10 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.882 -0.120 19237
1642 1 10 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.170 1.785 19237
1643 1 10 . 1 1 6 6 LYS H H 6 9.057 9.057 9.164 -0.107 19237
1644 1 10 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.365 0.103 19237
1645 1 10 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.245 1.145 19237
1646 1 10 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.690 1.306 19237
1647 1 10 . 1 1 8 8 SER HA H 8 4.751 4.751 4.341 0.410 19237
1648 1 10 . 1 1 8 8 SER CA C 8 59.388 59.388 59.590 -0.202 19237
1649 1 10 . 1 1 8 8 SER CB C 8 65.016 65.016 64.105 0.911 19237
1650 1 10 . 1 1 8 8 SER H H 8 8.628 8.628 8.193 0.435 19237
1651 1 10 . 1 1 9 9 GLY N N 9 119.742 119.742 112.574 7.168 19237
1652 1 10 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.449 0.827 19237
1653 1 10 . 1 1 9 9 GLY H H 9 10.642 10.642 9.294 1.348 19237
1654 1 10 . 1 1 10 10 THR N N 10 109.252 109.252 111.370 -2.118 19237
1655 1 10 . 1 1 10 10 THR HA H 10 4.506 4.506 4.544 -0.038 19237
1656 1 10 . 1 1 10 10 THR CA C 10 63.146 63.146 61.410 1.736 19237
1657 1 10 . 1 1 10 10 THR CB C 10 71.462 71.462 70.122 1.340 19237
1658 1 10 . 1 1 10 10 THR H H 10 8.204 8.204 7.891 0.313 19237
1659 1 10 . 1 1 11 11 TRP N N 11 125.850 125.850 124.582 1.268 19237
1660 1 10 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.907 -0.781 19237
1661 1 10 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.108 1.224 19237
1662 1 10 . 1 1 11 11 TRP CB C 11 30.028 30.028 32.079 -2.051 19237
1663 1 10 . 1 1 11 11 TRP H H 11 8.151 8.151 7.782 0.369 19237
1664 1 10 . 1 1 12 12 SER N N 12 123.082 123.082 116.199 6.883 19237
1665 1 10 . 1 1 12 12 SER HA H 12 4.642 4.642 4.705 -0.063 19237
1666 1 10 . 1 1 12 12 SER CA C 12 57.769 57.769 58.154 -0.385 19237
1667 1 10 . 1 1 12 12 SER CB C 12 65.589 65.589 65.935 -0.346 19237
1668 1 10 . 1 1 12 12 SER H H 12 7.364 7.364 8.213 -0.849 19237
1669 1 10 . 1 1 13 13 GLY N N 13 111.342 111.342 113.241 -1.899 19237
1670 1 10 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.999 -0.015 19237
1671 1 10 . 1 1 13 13 GLY H H 13 8.403 8.403 8.412 -0.009 19237
1672 1 10 . 1 1 14 14 VAL N N 14 119.976 119.976 121.834 -1.858 19237
1673 1 10 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.613 -0.548 19237
1674 1 10 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.278 1.145 19237
1675 1 10 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.188 1.349 19237
1676 1 10 . 1 1 14 14 VAL H H 14 8.540 8.540 8.087 0.453 19237
1677 1 10 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.350 -0.404 19237
1678 1 10 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.238 0.681 19237
1679 1 10 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.875 10.786 19237
1680 1 10 . 1 1 15 15 CYS H H 15 8.289 8.289 8.426 -0.137 19237
1681 1 10 . 1 1 16 16 GLY N N 16 114.030 114.030 108.198 5.832 19237
1682 1 10 . 1 1 16 16 GLY CA C 16 45.808 45.808 46.917 -1.109 19237
1683 1 10 . 1 1 16 16 GLY H H 16 8.610 8.610 9.115 -0.505 19237
1684 1 10 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.781 0.095 19237
1685 1 10 . 1 1 17 17 ASN CA C 17 53.355 53.355 51.743 1.612 19237
1686 1 10 . 1 1 17 17 ASN H H 17 7.335 7.335 7.643 -0.308 19237
1687 1 10 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.394 -0.142 19237
1688 1 10 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.090 1.391 19237
1689 1 10 . 1 1 18 18 ASN H H 18 9.056 9.056 8.719 0.337 19237
1690 1 10 . 1 1 19 19 GLY N N 19 107.723 107.723 107.662 0.061 19237
1691 1 10 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.398 1.572 19237
1692 1 10 . 1 1 19 19 GLY H H 19 8.565 8.565 8.120 0.445 19237
1693 1 10 . 1 1 20 20 ALA N N 20 124.931 124.931 124.176 0.755 19237
1694 1 10 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.149 0.209 19237
1695 1 10 . 1 1 20 20 ALA CA C 20 55.758 55.758 55.115 0.643 19237
1696 1 10 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.352 1.182 19237
1697 1 10 . 1 1 20 20 ALA H H 20 7.949 7.949 8.472 -0.523 19237
1698 1 10 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.858 0.316 19237
1699 1 10 . 1 1 21 21 CYS CA C 21 59.283 59.283 60.881 -1.598 19237
1700 1 10 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.845 12.957 19237
1701 1 10 . 1 1 21 21 CYS H H 21 7.335 7.335 8.003 -0.668 19237
1702 1 10 . 1 1 22 22 ARG N N 22 122.243 122.243 121.442 0.801 19237
1703 1 10 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.661 -0.412 19237
1704 1 10 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.901 -5.852 19237
1705 1 10 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.768 -0.020 19237
1706 1 10 . 1 1 22 22 ARG H H 22 8.494 8.494 8.296 0.198 19237
1707 1 10 . 1 1 23 23 ASN N N 23 114.938 114.938 117.523 -2.585 19237
1708 1 10 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.346 0.053 19237
1709 1 10 . 1 1 23 23 ASN H H 23 8.271 8.271 8.556 -0.285 19237
1710 1 10 . 1 1 24 24 GLN N N 24 120.890 120.890 119.922 0.968 19237
1711 1 10 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.097 0.010 19237
1712 1 10 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.087 -0.123 19237
1713 1 10 . 1 1 24 24 GLN H H 24 8.221 8.221 7.708 0.513 19237
1714 1 10 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.251 -0.010 19237
1715 1 10 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.969 -2.604 19237
1716 1 10 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.555 12.477 19237
1717 1 10 . 1 1 25 25 CYS H H 25 8.747 8.747 8.082 0.665 19237
1718 1 10 . 1 1 26 26 ILE N N 26 119.696 119.696 121.651 -1.955 19237
1719 1 10 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.042 -0.190 19237
1720 1 10 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.353 2.678 19237
1721 1 10 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.412 3.940 19237
1722 1 10 . 1 1 26 26 ILE H H 26 8.198 8.198 8.314 -0.116 19237
1723 1 10 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.159 -0.018 19237
1724 1 10 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.378 1.129 19237
1725 1 10 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.477 1.565 19237
1726 1 10 . 1 1 27 27 ARG H H 27 8.736 8.736 7.759 0.977 19237
1727 1 10 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.297 0.424 19237
1728 1 10 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.846 -0.225 19237
1729 1 10 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.425 1.297 19237
1730 1 10 . 1 1 28 28 LEU H H 28 8.572 8.572 8.306 0.266 19237
1731 1 10 . 1 1 29 29 GLU N N 29 115.746 115.746 115.556 0.190 19237
1732 1 10 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.517 0.293 19237
1733 1 10 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.757 1.186 19237
1734 1 10 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.538 0.510 19237
1735 1 10 . 1 1 29 29 GLU H H 29 7.032 7.032 7.620 -0.588 19237
1736 1 10 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.135 0.111 19237
1737 1 10 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.042 1.161 19237
1738 1 10 . 1 1 30 30 LYS H H 30 7.475 7.475 7.630 -0.155 19237
1739 1 10 . 1 1 31 31 ALA N N 31 120.618 120.618 119.904 0.714 19237
1740 1 10 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.988 0.021 19237
1741 1 10 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.601 0.206 19237
1742 1 10 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.386 -6.364 19237
1743 1 10 . 1 1 31 31 ALA H H 31 7.974 7.974 8.179 -0.205 19237
1744 1 10 . 1 1 32 32 ARG N N 32 113.739 113.739 121.119 -7.380 19237
1745 1 10 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.451 0.031 19237
1746 1 10 . 1 1 32 32 ARG H H 32 8.230 8.230 8.509 -0.279 19237
1747 1 10 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.705 0.045 19237
1748 1 10 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.602 0.839 19237
1749 1 10 . 1 1 33 33 HIS H H 33 7.683 7.683 7.711 -0.028 19237
1750 1 10 . 1 1 34 34 GLY N N 34 110.723 110.723 106.399 4.324 19237
1751 1 10 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.301 2.156 19237
1752 1 10 . 1 1 34 34 GLY H H 34 6.313 6.313 6.969 -0.656 19237
1753 1 10 . 1 1 35 35 SER HA H 35 4.118 4.118 4.718 -0.600 19237
1754 1 10 . 1 1 35 35 SER CA C 35 61.816 61.816 57.234 4.582 19237
1755 1 10 . 1 1 35 35 SER CB C 35 73.315 73.315 66.250 7.065 19237
1756 1 10 . 1 1 35 35 SER H H 35 9.075 9.075 8.738 0.337 19237
1757 1 10 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.742 0.713 19237
1758 1 10 . 1 1 36 36 CYS CA C 36 52.833 52.833 59.188 -6.355 19237
1759 1 10 . 1 1 36 36 CYS CB C 36 37.259 37.259 26.849 10.410 19237
1760 1 10 . 1 1 36 36 CYS H H 36 8.552 8.552 8.540 0.012 19237
1761 1 10 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.863 0.136 19237
1762 1 10 . 1 1 37 37 ASN CA C 37 52.088 52.088 51.200 0.888 19237
1763 1 10 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.412 2.338 19237
1764 1 10 . 1 1 37 37 ASN H H 37 9.079 9.079 8.675 0.404 19237
1765 1 10 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.202 0.006 19237
1766 1 10 . 1 1 38 38 TYR H H 38 8.829 8.829 8.605 0.224 19237
1767 1 10 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.968 -0.081 19237
1768 1 10 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.986 3.876 19237
1769 1 10 . 1 1 39 39 VAL H H 39 7.680 7.680 7.923 -0.243 19237
1770 1 10 . 1 1 40 40 PHE HA H 40 3.956 3.956 4.348 -0.392 19237
1771 1 10 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.256 0.309 19237
1772 1 10 . 1 1 40 40 PHE H H 40 8.441 8.441 7.936 0.505 19237
1773 1 10 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.716 0.152 19237
1774 1 10 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.838 0.779 19237
1775 1 10 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.712 0.065 19237
1776 1 10 . 1 1 42 42 ALA CA C 42 52.598 52.598 51.284 1.314 19237
1777 1 10 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.856 1.412 19237
1778 1 10 . 1 1 42 42 ALA H H 42 8.286 8.286 7.533 0.753 19237
1779 1 10 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.252 -0.298 19237
1780 1 10 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.581 1.016 19237
1781 1 10 . 1 1 43 43 HIS CB C 43 31.205 31.205 29.396 1.809 19237
1782 1 10 . 1 1 43 43 HIS H H 43 8.588 8.588 8.681 -0.093 19237
1783 1 10 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.866 -0.199 19237
1784 1 10 . 1 1 44 44 LYS CA C 44 55.564 55.564 54.414 1.150 19237
1785 1 10 . 1 1 44 44 LYS CB C 44 37.018 37.018 33.997 3.021 19237
1786 1 10 . 1 1 44 44 LYS H H 44 8.825 8.825 7.914 0.911 19237
1787 1 10 . 1 1 45 45 CYS N N 45 120.533 120.533 119.913 0.620 19237
1788 1 10 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.443 0.271 19237
1789 1 10 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.356 10.064 19237
1790 1 10 . 1 1 45 45 CYS H H 45 9.154 9.154 8.702 0.452 19237
1791 1 10 . 1 1 46 46 ILE N N 46 133.530 133.530 129.838 3.692 19237
1792 1 10 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.519 -0.360 19237
1793 1 10 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.970 -0.020 19237
1794 1 10 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.886 -0.534 19237
1795 1 10 . 1 1 46 46 ILE H H 46 8.773 8.773 7.906 0.867 19237
1796 1 10 . 1 1 47 47 CYS N N 47 120.445 120.445 127.414 -6.969 19237
1797 1 10 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.541 0.800 19237
1798 1 10 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.725 -6.637 19237
1799 1 10 . 1 1 47 47 CYS H H 47 8.520 8.520 8.906 -0.386 19237
1800 1 10 . 1 1 48 48 TYR N N 48 116.569 116.569 119.655 -3.086 19237
1801 1 10 . 1 1 48 48 TYR HA H 48 5.280 5.280 5.096 0.184 19237
1802 1 10 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.771 2.132 19237
1803 1 10 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.746 2.774 19237
1804 1 10 . 1 1 48 48 TYR H H 48 7.870 7.870 9.126 -1.256 19237
1805 1 10 . 1 1 49 49 PHE N N 49 122.029 122.029 122.117 -0.088 19237
1806 1 10 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.010 -0.049 19237
1807 1 10 . 1 1 49 49 PHE H H 49 9.162 9.162 9.294 -0.132 19237
1808 1 10 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.407 0.487 19237
1809 1 10 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.681 0.987 19237
1810 1 10 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.685 1.233 19237
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 24 3.502 0.348 3.560 19237
2 1 1 "Average Difference" HA 53 0.345 -0.055 0.344 19237
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19237
4 1 1 "Average Difference" CA 38 2.250 -0.250 2.266 19237
5 1 1 "Average Difference" CB 31 5.152 -2.699 4.461 19237
6 1 1 "Average Difference" HN 45 0.568 -0.056 0.571 19237
7 1 2 "Average Difference" N 24 3.320 0.353 3.372 19237
8 1 2 "Average Difference" HA 53 0.340 -0.066 0.336 19237
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19237
10 1 2 "Average Difference" CA 38 2.208 -0.399 2.201 19237
11 1 2 "Average Difference" CB 31 5.281 -2.982 4.431 19237
12 1 2 "Average Difference" HN 45 0.548 -0.063 0.551 19237
13 1 3 "Average Difference" N 24 3.928 0.193 4.008 19237
14 1 3 "Average Difference" HA 53 0.355 -0.078 0.350 19237
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19237
16 1 3 "Average Difference" CA 38 2.180 -0.384 2.175 19237
17 1 3 "Average Difference" CB 31 5.255 -2.787 4.529 19237
18 1 3 "Average Difference" HN 45 0.540 -0.087 0.539 19237
19 1 4 "Average Difference" N 24 3.409 0.110 3.480 19237
20 1 4 "Average Difference" HA 53 0.334 -0.037 0.335 19237
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19237
22 1 4 "Average Difference" CA 38 2.295 -0.388 2.292 19237
23 1 4 "Average Difference" CB 31 5.287 -2.816 4.549 19237
24 1 4 "Average Difference" HN 45 0.549 -0.077 0.550 19237
25 1 5 "Average Difference" N 24 3.582 0.288 3.647 19237
26 1 5 "Average Difference" HA 53 0.380 -0.073 0.376 19237
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19237
28 1 5 "Average Difference" CA 38 2.297 -0.356 2.300 19237
29 1 5 "Average Difference" CB 31 5.271 -2.986 4.416 19237
30 1 5 "Average Difference" HN 45 0.504 -0.048 0.507 19237
31 1 6 "Average Difference" N 24 3.449 -0.021 3.523 19237
32 1 6 "Average Difference" HA 53 0.364 -0.081 0.358 19237
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19237
34 1 6 "Average Difference" CA 38 2.256 -0.437 2.243 19237
35 1 6 "Average Difference" CB 31 5.307 -2.888 4.527 19237
36 1 6 "Average Difference" HN 45 0.544 -0.084 0.544 19237
37 1 7 "Average Difference" N 24 3.745 -0.299 3.813 19237
38 1 7 "Average Difference" HA 53 0.372 -0.080 0.367 19237
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19237
40 1 7 "Average Difference" CA 38 2.301 -0.396 2.297 19237
41 1 7 "Average Difference" CB 31 5.251 -2.908 4.445 19237
42 1 7 "Average Difference" HN 45 0.544 -0.082 0.543 19237
43 1 8 "Average Difference" N 24 3.746 -0.027 3.826 19237
44 1 8 "Average Difference" HA 53 0.334 -0.047 0.334 19237
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19237
46 1 8 "Average Difference" CA 38 2.232 -0.467 2.212 19237
47 1 8 "Average Difference" CB 31 5.115 -2.730 4.397 19237
48 1 8 "Average Difference" HN 45 0.544 -0.087 0.543 19237
49 1 9 "Average Difference" N 24 3.812 -0.108 3.893 19237
50 1 9 "Average Difference" HA 53 0.359 -0.042 0.360 19237
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19237
52 1 9 "Average Difference" CA 38 2.227 -0.504 2.198 19237
53 1 9 "Average Difference" CB 31 5.433 -2.855 4.699 19237
54 1 9 "Average Difference" HN 45 0.535 -0.051 0.539 19237
55 1 10 "Average Difference" N 24 3.615 -0.082 3.692 19237
56 1 10 "Average Difference" HA 53 0.375 -0.055 0.374 19237
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19237
58 1 10 "Average Difference" CA 38 2.343 -0.317 2.353 19237
59 1 10 "Average Difference" CB 31 5.142 -2.835 4.361 19237
60 1 10 "Average Difference" HN 45 0.537 -0.101 0.533 19237
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 19237
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.597 0.532 19237
2 1 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.805 -0.138 19237
3 1 . 1 1 3 3 LEU CB C 3 46.077 46.077 43.545 2.532 19237
4 1 . 1 1 3 3 LEU H H 3 8.460 8.460 8.228 0.232 19237
5 1 . 1 1 4 4 CYS N N 4 122.129 122.129 123.113 -0.984 19237
6 1 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.664 0.470 19237
7 1 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.621 1.807 19237
8 1 . 1 1 4 4 CYS H H 4 9.717 9.717 9.021 0.697 19237
9 1 . 1 1 5 5 GLU N N 5 122.663 122.663 125.408 -2.745 19237
10 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.583 -0.104 19237
11 1 . 1 1 5 5 GLU H H 5 8.801 8.801 8.663 0.138 19237
12 1 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.854 -0.092 19237
13 1 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.417 1.538 19237
14 1 . 1 1 6 6 LYS H H 6 9.057 9.057 9.000 0.057 19237
15 1 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.413 0.055 19237
16 1 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.960 1.429 19237
17 1 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.873 1.123 19237
18 1 . 1 1 8 8 SER HA H 8 4.751 4.751 4.365 0.386 19237
19 1 . 1 1 8 8 SER CA C 8 59.388 59.388 59.472 -0.084 19237
20 1 . 1 1 8 8 SER CB C 8 65.016 65.016 63.761 1.255 19237
21 1 . 1 1 8 8 SER H H 8 8.628 8.628 8.252 0.376 19237
22 1 . 1 1 9 9 GLY N N 9 119.742 119.742 111.899 7.843 19237
23 1 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.472 0.805 19237
24 1 . 1 1 9 9 GLY H H 9 10.642 10.642 9.114 1.528 19237
25 1 . 1 1 10 10 THR N N 10 109.252 109.252 111.337 -2.085 19237
26 1 . 1 1 10 10 THR HA H 10 4.506 4.506 4.502 0.004 19237
27 1 . 1 1 10 10 THR CA C 10 63.146 63.146 61.481 1.665 19237
28 1 . 1 1 10 10 THR CB C 10 71.462 71.462 70.052 1.410 19237
29 1 . 1 1 10 10 THR H H 10 8.204 8.204 7.824 0.380 19237
30 1 . 1 1 11 11 TRP N N 11 125.850 125.850 123.482 2.368 19237
31 1 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.794 -0.668 19237
32 1 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.041 1.291 19237
33 1 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.393 -1.365 19237
34 1 . 1 1 11 11 TRP H H 11 8.151 8.151 7.920 0.231 19237
35 1 . 1 1 12 12 SER N N 12 123.082 123.082 116.574 6.508 19237
36 1 . 1 1 12 12 SER HA H 12 4.642 4.642 4.712 -0.070 19237
37 1 . 1 1 12 12 SER CA C 12 57.769 57.769 57.958 -0.189 19237
38 1 . 1 1 12 12 SER CB C 12 65.589 65.589 65.021 0.568 19237
39 1 . 1 1 12 12 SER H H 12 7.364 7.364 8.026 -0.662 19237
40 1 . 1 1 13 13 GLY N N 13 111.342 111.342 111.980 -0.638 19237
41 1 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.799 0.185 19237
42 1 . 1 1 13 13 GLY H H 13 8.403 8.403 8.304 0.099 19237
43 1 . 1 1 14 14 VAL N N 14 119.976 119.976 121.453 -1.477 19237
44 1 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.383 -0.318 19237
45 1 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.688 1.735 19237
46 1 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.474 1.063 19237
47 1 . 1 1 14 14 VAL H H 14 8.540 8.540 8.228 0.312 19237
48 1 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.136 -0.190 19237
49 1 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.961 -0.042 19237
50 1 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.784 10.877 19237
51 1 . 1 1 15 15 CYS H H 15 8.289 8.289 8.422 -0.133 19237
52 1 . 1 1 16 16 GLY N N 16 114.030 114.030 110.473 3.558 19237
53 1 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.456 0.352 19237
54 1 . 1 1 16 16 GLY H H 16 8.610 8.610 8.844 -0.234 19237
55 1 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.869 0.007 19237
56 1 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.495 0.860 19237
57 1 . 1 1 17 17 ASN H H 17 7.335 7.335 7.810 -0.475 19237
58 1 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.516 -0.264 19237
59 1 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.456 1.025 19237
60 1 . 1 1 18 18 ASN H H 18 9.056 9.056 8.799 0.257 19237
61 1 . 1 1 19 19 GLY N N 19 107.723 107.723 108.326 -0.603 19237
62 1 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.313 1.656 19237
63 1 . 1 1 19 19 GLY H H 19 8.565 8.565 8.380 0.185 19237
64 1 . 1 1 20 20 ALA N N 20 124.931 124.931 124.069 0.862 19237
65 1 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.217 0.141 19237
66 1 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.902 0.856 19237
67 1 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.322 1.212 19237
68 1 . 1 1 20 20 ALA H H 20 7.949 7.949 8.185 -0.236 19237
69 1 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.859 0.315 19237
70 1 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.639 -2.356 19237
71 1 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.810 12.992 19237
72 1 . 1 1 21 21 CYS H H 21 7.335 7.335 7.988 -0.653 19237
73 1 . 1 1 22 22 ARG N N 22 122.243 122.243 121.102 1.141 19237
74 1 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.697 -0.448 19237
75 1 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.856 -5.807 19237
76 1 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.788 -0.040 19237
77 1 . 1 1 22 22 ARG H H 22 8.494 8.494 8.071 0.423 19237
78 1 . 1 1 23 23 ASN N N 23 114.938 114.938 117.569 -2.631 19237
79 1 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.372 0.027 19237
80 1 . 1 1 23 23 ASN H H 23 8.271 8.271 8.534 -0.263 19237
81 1 . 1 1 24 24 GLN N N 24 120.890 120.890 120.029 0.861 19237
82 1 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.093 0.014 19237
83 1 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.076 -0.112 19237
84 1 . 1 1 24 24 GLN H H 24 8.221 8.221 7.993 0.228 19237
85 1 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.249 -0.008 19237
86 1 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.022 -2.657 19237
87 1 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.609 12.424 19237
88 1 . 1 1 25 25 CYS H H 25 8.747 8.747 8.187 0.560 19237
89 1 . 1 1 26 26 ILE N N 26 119.696 119.696 121.724 -2.028 19237
90 1 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.145 -0.293 19237
91 1 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.424 2.607 19237
92 1 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.473 3.879 19237
93 1 . 1 1 26 26 ILE H H 26 8.198 8.198 8.241 -0.043 19237
94 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.195 -0.054 19237
95 1 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.959 1.548 19237
96 1 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.284 1.758 19237
97 1 . 1 1 27 27 ARG H H 27 8.736 8.736 7.878 0.858 19237
98 1 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.300 0.421 19237
99 1 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.094 -0.473 19237
100 1 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.401 1.321 19237
101 1 . 1 1 28 28 LEU H H 28 8.572 8.572 8.303 0.269 19237
102 1 . 1 1 29 29 GLU N N 29 115.746 115.746 115.987 -0.241 19237
103 1 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.472 0.338 19237
104 1 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.140 0.803 19237
105 1 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.351 0.697 19237
106 1 . 1 1 29 29 GLU H H 29 7.032 7.032 7.772 -0.740 19237
107 1 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.141 0.105 19237
108 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.022 1.181 19237
109 1 . 1 1 30 30 LYS H H 30 7.475 7.475 7.686 -0.211 19237
110 1 . 1 1 31 31 ALA N N 31 120.618 120.618 120.241 0.377 19237
111 1 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.972 0.037 19237
112 1 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.433 0.374 19237
113 1 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.147 -6.125 19237
114 1 . 1 1 31 31 ALA H H 31 7.974 7.974 8.166 -0.192 19237
115 1 . 1 1 32 32 ARG N N 32 113.739 113.739 121.171 -7.432 19237
116 1 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.392 0.090 19237
117 1 . 1 1 32 32 ARG H H 32 8.230 8.230 8.354 -0.124 19237
118 1 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.687 0.063 19237
119 1 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.498 0.943 19237
120 1 . 1 1 33 33 HIS H H 33 7.683 7.683 7.580 0.103 19237
121 1 . 1 1 34 34 GLY N N 34 110.723 110.723 107.047 3.676 19237
122 1 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.028 2.429 19237
123 1 . 1 1 34 34 GLY H H 34 6.313 6.313 7.140 -0.827 19237
124 1 . 1 1 35 35 SER HA H 35 4.118 4.118 4.701 -0.583 19237
125 1 . 1 1 35 35 SER CA C 35 61.816 61.816 57.298 4.518 19237
126 1 . 1 1 35 35 SER CB C 35 73.315 73.315 65.997 7.318 19237
127 1 . 1 1 35 35 SER H H 35 9.075 9.075 8.776 0.299 19237
128 1 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.944 0.511 19237
129 1 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.376 -4.543 19237
130 1 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.366 11.893 19237
131 1 . 1 1 36 36 CYS H H 36 8.552 8.552 8.812 -0.260 19237
132 1 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.690 0.309 19237
133 1 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.749 -0.661 19237
134 1 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.049 2.701 19237
135 1 . 1 1 37 37 ASN H H 37 9.079 9.079 8.073 1.006 19237
136 1 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.330 -0.122 19237
137 1 . 1 1 38 38 TYR H H 38 8.829 8.829 8.644 0.185 19237
138 1 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.974 -0.087 19237
139 1 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.178 3.684 19237
140 1 . 1 1 39 39 VAL H H 39 7.680 7.680 7.752 -0.073 19237
141 1 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.761 0.195 19237
142 1 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.376 0.189 19237
143 1 . 1 1 40 40 PHE H H 40 8.441 8.441 8.033 0.408 19237
144 1 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.633 0.235 19237
145 1 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.889 0.728 19237
146 1 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.682 0.095 19237
147 1 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.820 1.778 19237
148 1 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.607 1.661 19237
149 1 . 1 1 42 42 ALA H H 42 8.286 8.286 7.388 0.898 19237
150 1 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.227 -0.273 19237
151 1 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.088 0.510 19237
152 1 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.748 0.457 19237
153 1 . 1 1 43 43 HIS H H 43 8.588 8.588 8.692 -0.104 19237
154 1 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.812 -0.145 19237
155 1 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.600 1.964 19237
156 1 . 1 1 44 44 LYS CB C 44 37.018 37.018 35.796 1.223 19237
157 1 . 1 1 44 44 LYS H H 44 8.825 8.825 8.774 0.051 19237
158 1 . 1 1 45 45 CYS N N 45 120.533 120.533 122.408 -1.875 19237
159 1 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.260 0.454 19237
160 1 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.964 10.456 19237
161 1 . 1 1 45 45 CYS H H 45 9.154 9.154 8.734 0.420 19237
162 1 . 1 1 46 46 ILE N N 46 133.530 133.530 129.747 3.783 19237
163 1 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.618 -0.459 19237
164 1 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.871 0.079 19237
165 1 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.180 -0.829 19237
166 1 . 1 1 46 46 ILE H H 46 8.773 8.773 8.755 0.018 19237
167 1 . 1 1 47 47 CYS N N 47 120.445 120.445 127.028 -6.583 19237
168 1 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.594 0.747 19237
169 1 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.323 -6.235 19237
170 1 . 1 1 47 47 CYS H H 47 8.520 8.520 9.040 -0.520 19237
171 1 . 1 1 48 48 TYR N N 48 116.569 116.569 120.029 -3.460 19237
172 1 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.818 0.462 19237
173 1 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.164 1.739 19237
174 1 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.615 2.905 19237
175 1 . 1 1 48 48 TYR H H 48 7.870 7.870 9.213 -1.343 19237
176 1 . 1 1 49 49 PHE N N 49 122.029 122.029 122.034 -0.005 19237
177 1 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.001 -0.040 19237
178 1 . 1 1 49 49 PHE H H 49 9.162 9.162 8.977 0.185 19237
179 1 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.466 0.428 19237
180 1 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.446 1.222 19237
181 1 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.372 1.546 19237
stop_
save_