data_19397
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19397
_Entry.PDB_ID 2MBE
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 19397
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 CYS N N 2 123.896 123.896 116.252 7.644 19397
2 1 1 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.857 -0.214 19397
3 1 1 . 1 1 2 2 CYS H H 2 8.271 8.271 8.225 0.046 19397
4 1 1 . 1 1 3 3 VAL N N 3 128.209 128.209 115.443 12.766 19397
5 1 1 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.708 -0.483 19397
6 1 1 . 1 1 3 3 VAL H H 3 8.930 8.930 7.799 1.131 19397
7 1 1 . 1 1 4 4 HIS N N 4 126.227 126.227 120.258 5.969 19397
8 1 1 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.047 0.317 19397
9 1 1 . 1 1 4 4 HIS H H 4 8.723 8.723 8.511 0.212 19397
10 1 1 . 1 1 5 5 VAL N N 5 122.706 122.706 114.539 8.167 19397
11 1 1 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.233 -0.597 19397
12 1 1 . 1 1 5 5 VAL H H 5 9.400 9.400 8.424 0.976 19397
13 1 1 . 1 1 6 6 ARG N N 6 130.121 130.121 123.470 6.651 19397
14 1 1 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.811 0.181 19397
15 1 1 . 1 1 6 6 ARG H H 6 8.874 8.874 8.360 0.514 19397
16 1 1 . 1 1 7 7 SER N N 7 117.297 117.297 114.302 2.995 19397
17 1 1 . 1 1 7 7 SER HA H 7 5.085 5.085 4.285 0.800 19397
18 1 1 . 1 1 7 7 SER H H 7 8.936 8.936 8.500 0.436 19397
19 1 1 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.971 -0.226 19397
20 1 1 . 1 1 10 10 TRP H H 10 7.235 7.235 8.375 -1.140 19397
21 1 1 . 1 1 11 11 ASP N N 11 117.787 117.787 118.681 -0.894 19397
22 1 1 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.837 -0.046 19397
23 1 1 . 1 1 11 11 ASP H H 11 7.665 7.665 7.727 -0.062 19397
24 1 1 . 1 1 13 13 MET N N 13 122.940 122.940 115.616 7.324 19397
25 1 1 . 1 1 13 13 MET HA H 13 4.858 4.858 4.849 0.009 19397
26 1 1 . 1 1 13 13 MET H H 13 8.827 8.827 8.408 0.419 19397
27 1 1 . 1 1 14 14 THR N N 14 121.214 121.214 113.711 7.503 19397
28 1 1 . 1 1 14 14 THR HA H 14 5.262 5.262 4.623 0.639 19397
29 1 1 . 1 1 14 14 THR H H 14 8.273 8.273 8.145 0.128 19397
30 1 1 . 1 1 16 16 ASP N N 16 122.962 122.962 127.017 -4.055 19397
31 1 1 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.504 0.117 19397
32 1 1 . 1 1 16 16 ASP H H 16 8.719 8.719 8.231 0.488 19397
33 1 1 . 1 1 17 17 ALA N N 17 118.368 118.368 123.080 -4.712 19397
34 1 1 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.401 0.730 19397
35 1 1 . 1 1 17 17 ALA H H 17 8.670 8.670 8.165 0.505 19397
36 1 1 . 1 1 18 18 ASN N N 18 123.103 123.103 120.120 2.983 19397
37 1 1 . 1 1 20 20 TYR N N 20 128.229 128.229 122.178 6.051 19397
38 1 1 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.537 0.051 19397
39 1 1 . 1 1 20 20 TYR H H 20 7.004 7.004 8.492 -1.488 19397
40 1 1 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.889 -0.218 19397
41 1 1 . 1 1 21 21 ASP H H 21 7.590 7.590 8.388 -0.798 19397
42 1 1 . 1 1 23 23 VAL N N 23 123.649 123.649 119.575 4.074 19397
43 1 1 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.955 -0.540 19397
44 1 1 . 1 1 23 23 VAL H H 23 8.753 8.753 7.567 1.186 19397
45 1 1 . 1 1 25 25 LYS N N 25 119.120 119.120 118.820 0.300 19397
46 1 1 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.084 -0.213 19397
47 1 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.517 0.243 19397
48 1 1 . 1 1 26 26 ILE N N 26 117.483 117.483 119.578 -2.095 19397
49 1 1 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.887 -0.379 19397
50 1 1 . 1 1 26 26 ILE H H 26 7.324 7.324 7.640 -0.316 19397
51 1 1 . 1 1 27 27 LYS N N 27 119.349 119.349 118.957 0.392 19397
52 1 1 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.107 0.293 19397
53 1 1 . 1 1 27 27 LYS H H 27 7.665 7.665 8.119 -0.454 19397
54 1 1 . 1 1 28 28 GLU N N 28 121.785 121.785 118.532 3.253 19397
55 1 1 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.089 -0.319 19397
56 1 1 . 1 1 28 28 GLU H H 28 8.379 8.379 7.860 0.519 19397
57 1 1 . 1 1 29 29 HIS N N 29 122.422 122.422 116.246 6.176 19397
58 1 1 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397
59 1 1 . 1 1 29 29 HIS H H 29 7.590 7.590 7.683 -0.093 19397
60 1 1 . 1 1 30 30 VAL N N 30 121.437 121.437 116.384 5.053 19397
61 1 1 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.119 -0.642 19397
62 1 1 . 1 1 30 30 VAL H H 30 8.412 8.412 7.269 1.143 19397
63 1 1 . 1 1 32 32 SER N N 32 121.037 121.037 116.625 4.412 19397
64 1 1 . 1 1 33 33 LYS N N 33 125.831 125.831 118.069 7.762 19397
65 1 1 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.405 -0.648 19397
66 1 1 . 1 1 33 33 LYS H H 33 8.918 8.918 8.382 0.536 19397
67 1 1 . 1 1 34 34 THR N N 34 116.691 116.691 112.039 4.652 19397
68 1 1 . 1 1 34 34 THR HA H 34 4.111 4.111 4.148 -0.037 19397
69 1 1 . 1 1 34 34 THR H H 34 7.961 7.961 7.673 0.288 19397
70 1 1 . 1 1 35 35 LYS N N 35 117.623 117.623 119.581 -1.958 19397
71 1 1 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.245 0.107 19397
72 1 1 . 1 1 35 35 LYS H H 35 7.064 7.064 8.124 -1.060 19397
73 1 1 . 1 1 36 36 VAL N N 36 125.248 125.248 120.741 4.507 19397
74 1 1 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.370 -0.600 19397
75 1 1 . 1 1 36 36 VAL H H 36 7.918 7.918 7.499 0.419 19397
76 1 1 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.940 0.138 19397
77 1 1 . 1 1 38 38 VAL H H 38 8.409 8.409 8.055 0.354 19397
78 1 1 . 1 1 39 39 GLN N N 39 115.805 115.805 122.237 -6.432 19397
79 1 1 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.379 -0.217 19397
80 1 1 . 1 1 39 39 GLN H H 39 8.793 8.793 8.662 0.131 19397
81 1 1 . 1 1 40 40 ASP N N 40 120.069 120.069 118.255 1.814 19397
82 1 1 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.371 0.398 19397
83 1 1 . 1 1 40 40 ASP H H 40 7.590 7.590 8.196 -0.606 19397
84 1 1 . 1 1 41 41 GLN N N 41 117.974 117.974 118.485 -0.511 19397
85 1 1 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.472 -0.019 19397
86 1 1 . 1 1 41 41 GLN H H 41 7.046 7.046 8.111 -1.065 19397
87 1 1 . 1 1 42 42 VAL N N 42 123.686 123.686 119.945 3.741 19397
88 1 1 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.586 -0.411 19397
89 1 1 . 1 1 42 42 VAL H H 42 8.842 8.842 8.690 0.152 19397
90 1 1 . 1 1 43 43 LEU N N 43 126.600 126.600 122.583 4.017 19397
91 1 1 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.743 0.707 19397
92 1 1 . 1 1 43 43 LEU H H 43 9.208 9.208 8.031 1.177 19397
93 1 1 . 1 1 44 44 LEU N N 44 120.515 120.515 122.942 -2.427 19397
94 1 1 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.318 -0.140 19397
95 1 1 . 1 1 44 44 LEU H H 44 9.107 9.107 8.251 0.856 19397
96 1 1 . 1 1 45 45 LEU N N 45 124.199 124.199 123.085 1.114 19397
97 1 1 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.527 0.179 19397
98 1 1 . 1 1 45 45 LEU H H 45 8.551 8.551 8.736 -0.185 19397
99 1 1 . 1 1 48 48 LYS N N 48 124.618 124.618 119.247 5.371 19397
100 1 1 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.660 -0.321 19397
101 1 1 . 1 1 48 48 LYS H H 48 7.982 7.982 7.766 0.216 19397
102 1 1 . 1 1 49 49 ILE N N 49 126.507 126.507 120.807 5.700 19397
103 1 1 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.730 -0.712 19397
104 1 1 . 1 1 49 49 ILE H H 49 8.399 8.399 8.298 0.101 19397
105 1 1 . 1 1 50 50 LEU N N 50 128.139 128.139 129.780 -1.641 19397
106 1 1 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.569 -0.443 19397
107 1 1 . 1 1 50 50 LEU H H 50 8.652 8.652 8.673 -0.021 19397
108 1 1 . 1 1 51 51 LYS N N 51 123.009 123.009 122.503 0.506 19397
109 1 1 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.290 0.423 19397
110 1 1 . 1 1 51 51 LYS H H 51 8.132 8.132 8.541 -0.409 19397
111 1 1 . 1 1 56 56 LEU N N 56 123.359 123.359 122.139 1.220 19397
112 1 1 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.579 -0.391 19397
113 1 1 . 1 1 56 56 LEU H H 56 8.627 8.627 7.783 0.844 19397
114 1 1 . 1 1 57 57 SER N N 57 113.706 113.706 114.605 -0.899 19397
115 1 1 . 1 1 57 57 SER HA H 57 4.265 4.265 4.127 0.138 19397
116 1 1 . 1 1 57 57 SER H H 57 8.719 8.719 8.354 0.365 19397
117 1 1 . 1 1 59 59 TYR N N 59 120.883 120.883 120.943 -0.060 19397
118 1 1 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.588 -0.052 19397
119 1 1 . 1 1 59 59 TYR H H 59 7.737 7.737 7.998 -0.261 19397
120 1 1 . 1 1 61 61 ILE N N 61 117.591 117.591 116.703 0.888 19397
121 1 1 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.389 -0.290 19397
122 1 1 . 1 1 61 61 ILE H H 61 6.997 6.997 7.520 -0.523 19397
123 1 1 . 1 1 64 64 GLU N N 64 126.670 126.670 120.850 5.820 19397
124 1 1 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.560 -0.001 19397
125 1 1 . 1 1 64 64 GLU H H 64 8.132 8.132 8.523 -0.391 19397
126 1 1 . 1 1 67 67 ILE N N 67 121.803 121.803 114.145 7.658 19397
127 1 1 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.539 -0.042 19397
128 1 1 . 1 1 67 67 ILE H H 67 8.488 8.488 8.515 -0.027 19397
129 1 1 . 1 1 68 68 HIS N N 68 124.455 124.455 123.558 0.897 19397
130 1 1 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.583 -0.452 19397
131 1 1 . 1 1 68 68 HIS H H 68 8.425 8.425 8.532 -0.107 19397
132 1 1 . 1 1 69 69 LEU N N 69 122.823 122.823 125.397 -2.574 19397
133 1 1 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.079 0.238 19397
134 1 1 . 1 1 69 69 LEU H H 69 9.322 9.322 9.014 0.308 19397
135 1 1 . 1 1 70 70 THR N N 70 118.743 118.743 111.503 7.240 19397
136 1 1 . 1 1 70 70 THR HA H 70 5.009 5.009 4.662 0.347 19397
137 1 1 . 1 1 70 70 THR H H 70 9.107 9.107 8.127 0.980 19397
138 1 1 . 1 1 71 71 LEU N N 71 126.880 126.880 124.249 2.631 19397
139 1 1 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.652 0.711 19397
140 1 1 . 1 1 71 71 LEU H H 71 8.829 8.829 8.273 0.556 19397
141 1 1 . 1 1 72 72 LYS N N 72 128.792 128.792 122.882 5.910 19397
142 1 1 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.594 0.089 19397
143 1 1 . 1 1 72 72 LYS H H 72 9.570 9.570 8.853 0.717 19397
144 1 1 . 1 1 73 73 VAL N N 73 120.771 120.771 116.490 4.281 19397
145 1 1 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.419 0.388 19397
146 1 1 . 1 1 73 73 VAL H H 73 8.488 8.488 8.233 0.255 19397
147 1 1 . 1 1 74 74 VAL N N 74 127.859 127.859 119.042 8.817 19397
148 1 1 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.478 -0.522 19397
149 1 1 . 1 1 74 74 VAL H H 74 8.715 8.715 8.166 0.549 19397
150 1 2 . 1 1 2 2 CYS N N 2 123.896 123.896 117.283 6.613 19397
151 1 2 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.859 -0.216 19397
152 1 2 . 1 1 2 2 CYS H H 2 8.271 8.271 8.569 -0.298 19397
153 1 2 . 1 1 3 3 VAL N N 3 128.209 128.209 118.382 9.827 19397
154 1 2 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.189 0.036 19397
155 1 2 . 1 1 3 3 VAL H H 3 8.930 8.930 7.977 0.953 19397
156 1 2 . 1 1 4 4 HIS N N 4 126.227 126.227 121.026 5.201 19397
157 1 2 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.935 0.429 19397
158 1 2 . 1 1 4 4 HIS H H 4 8.723 8.723 8.324 0.399 19397
159 1 2 . 1 1 5 5 VAL N N 5 122.706 122.706 120.294 2.412 19397
160 1 2 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.082 -0.446 19397
161 1 2 . 1 1 5 5 VAL H H 5 9.400 9.400 8.568 0.832 19397
162 1 2 . 1 1 6 6 ARG N N 6 130.121 130.121 126.178 3.943 19397
163 1 2 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.654 0.338 19397
164 1 2 . 1 1 6 6 ARG H H 6 8.874 8.874 7.754 1.120 19397
165 1 2 . 1 1 7 7 SER N N 7 117.297 117.297 116.716 0.581 19397
166 1 2 . 1 1 7 7 SER HA H 7 5.085 5.085 4.352 0.733 19397
167 1 2 . 1 1 7 7 SER H H 7 8.936 8.936 8.550 0.386 19397
168 1 2 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.880 -0.135 19397
169 1 2 . 1 1 10 10 TRP H H 10 7.235 7.235 8.363 -1.128 19397
170 1 2 . 1 1 11 11 ASP N N 11 117.787 117.787 119.971 -2.184 19397
171 1 2 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.933 -0.142 19397
172 1 2 . 1 1 11 11 ASP H H 11 7.665 7.665 7.838 -0.173 19397
173 1 2 . 1 1 13 13 MET N N 13 122.940 122.940 118.349 4.591 19397
174 1 2 . 1 1 13 13 MET HA H 13 4.858 4.858 4.822 0.036 19397
175 1 2 . 1 1 13 13 MET H H 13 8.827 8.827 8.468 0.359 19397
176 1 2 . 1 1 14 14 THR N N 14 121.214 121.214 118.352 2.862 19397
177 1 2 . 1 1 14 14 THR HA H 14 5.262 5.262 4.532 0.730 19397
178 1 2 . 1 1 14 14 THR H H 14 8.273 8.273 8.109 0.164 19397
179 1 2 . 1 1 16 16 ASP N N 16 122.962 122.962 125.825 -2.863 19397
180 1 2 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.700 -0.080 19397
181 1 2 . 1 1 16 16 ASP H H 16 8.719 8.719 8.055 0.664 19397
182 1 2 . 1 1 17 17 ALA N N 17 118.368 118.368 122.180 -3.812 19397
183 1 2 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.580 0.551 19397
184 1 2 . 1 1 17 17 ALA H H 17 8.670 8.670 8.306 0.364 19397
185 1 2 . 1 1 18 18 ASN N N 18 123.103 123.103 118.958 4.145 19397
186 1 2 . 1 1 20 20 TYR N N 20 128.229 128.229 123.623 4.606 19397
187 1 2 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.624 -0.036 19397
188 1 2 . 1 1 20 20 TYR H H 20 7.004 7.004 8.296 -1.292 19397
189 1 2 . 1 1 21 21 ASP HA H 21 4.671 4.671 5.025 -0.354 19397
190 1 2 . 1 1 21 21 ASP H H 21 7.590 7.590 8.123 -0.533 19397
191 1 2 . 1 1 23 23 VAL N N 23 123.649 123.649 119.848 3.801 19397
192 1 2 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.951 -0.536 19397
193 1 2 . 1 1 23 23 VAL H H 23 8.753 8.753 7.885 0.868 19397
194 1 2 . 1 1 25 25 LYS N N 25 119.120 119.120 119.432 -0.312 19397
195 1 2 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.007 -0.136 19397
196 1 2 . 1 1 25 25 LYS H H 25 7.760 7.760 7.489 0.271 19397
197 1 2 . 1 1 26 26 ILE N N 26 117.483 117.483 120.076 -2.593 19397
198 1 2 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.894 -0.386 19397
199 1 2 . 1 1 26 26 ILE H H 26 7.324 7.324 7.722 -0.398 19397
200 1 2 . 1 1 27 27 LYS N N 27 119.349 119.349 118.895 0.454 19397
201 1 2 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.061 0.339 19397
202 1 2 . 1 1 27 27 LYS H H 27 7.665 7.665 8.232 -0.567 19397
203 1 2 . 1 1 28 28 GLU N N 28 121.785 121.785 118.187 3.598 19397
204 1 2 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.064 -0.294 19397
205 1 2 . 1 1 28 28 GLU H H 28 8.379 8.379 7.838 0.541 19397
206 1 2 . 1 1 29 29 HIS N N 29 122.422 122.422 115.514 6.908 19397
207 1 2 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397
208 1 2 . 1 1 29 29 HIS H H 29 7.590 7.590 7.631 -0.041 19397
209 1 2 . 1 1 30 30 VAL N N 30 121.437 121.437 116.516 4.921 19397
210 1 2 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.061 -0.584 19397
211 1 2 . 1 1 30 30 VAL H H 30 8.412 8.412 7.280 1.132 19397
212 1 2 . 1 1 32 32 SER N N 32 121.037 121.037 118.490 2.547 19397
213 1 2 . 1 1 33 33 LYS N N 33 125.831 125.831 117.840 7.991 19397
214 1 2 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.343 -0.586 19397
215 1 2 . 1 1 33 33 LYS H H 33 8.918 8.918 8.259 0.659 19397
216 1 2 . 1 1 34 34 THR N N 34 116.691 116.691 112.326 4.365 19397
217 1 2 . 1 1 34 34 THR HA H 34 4.111 4.111 4.072 0.039 19397
218 1 2 . 1 1 34 34 THR H H 34 7.961 7.961 7.963 -0.002 19397
219 1 2 . 1 1 35 35 LYS N N 35 117.623 117.623 119.404 -1.781 19397
220 1 2 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.216 0.136 19397
221 1 2 . 1 1 35 35 LYS H H 35 7.064 7.064 8.060 -0.996 19397
222 1 2 . 1 1 36 36 VAL N N 36 125.248 125.248 120.883 4.365 19397
223 1 2 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.157 -0.387 19397
224 1 2 . 1 1 36 36 VAL H H 36 7.918 7.918 7.502 0.416 19397
225 1 2 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.385 -0.307 19397
226 1 2 . 1 1 38 38 VAL H H 38 8.409 8.409 7.398 1.011 19397
227 1 2 . 1 1 39 39 GLN N N 39 115.805 115.805 126.443 -10.638 19397
228 1 2 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.160 0.002 19397
229 1 2 . 1 1 39 39 GLN H H 39 8.793 8.793 8.404 0.389 19397
230 1 2 . 1 1 40 40 ASP N N 40 120.069 120.069 114.050 6.019 19397
231 1 2 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.959 -0.190 19397
232 1 2 . 1 1 40 40 ASP H H 40 7.590 7.590 8.392 -0.802 19397
233 1 2 . 1 1 41 41 GLN N N 41 117.974 117.974 120.119 -2.145 19397
234 1 2 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.626 -0.173 19397
235 1 2 . 1 1 41 41 GLN H H 41 7.046 7.046 7.836 -0.790 19397
236 1 2 . 1 1 42 42 VAL N N 42 123.686 123.686 120.226 3.460 19397
237 1 2 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.622 -0.447 19397
238 1 2 . 1 1 42 42 VAL H H 42 8.842 8.842 8.511 0.331 19397
239 1 2 . 1 1 43 43 LEU N N 43 126.600 126.600 121.913 4.687 19397
240 1 2 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.749 0.701 19397
241 1 2 . 1 1 43 43 LEU H H 43 9.208 9.208 7.925 1.283 19397
242 1 2 . 1 1 44 44 LEU N N 44 120.515 120.515 121.247 -0.732 19397
243 1 2 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.013 0.165 19397
244 1 2 . 1 1 44 44 LEU H H 44 9.107 9.107 8.532 0.575 19397
245 1 2 . 1 1 45 45 LEU N N 45 124.199 124.199 125.104 -0.905 19397
246 1 2 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.675 0.031 19397
247 1 2 . 1 1 45 45 LEU H H 45 8.551 8.551 8.533 0.018 19397
248 1 2 . 1 1 48 48 LYS N N 48 124.618 124.618 116.657 7.961 19397
249 1 2 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.583 -0.244 19397
250 1 2 . 1 1 48 48 LYS H H 48 7.982 7.982 7.524 0.458 19397
251 1 2 . 1 1 49 49 ILE N N 49 126.507 126.507 120.785 5.722 19397
252 1 2 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.678 -0.660 19397
253 1 2 . 1 1 49 49 ILE H H 49 8.399 8.399 8.435 -0.036 19397
254 1 2 . 1 1 50 50 LEU N N 50 128.139 128.139 127.883 0.256 19397
255 1 2 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.522 -0.396 19397
256 1 2 . 1 1 50 50 LEU H H 50 8.652 8.652 8.548 0.104 19397
257 1 2 . 1 1 51 51 LYS N N 51 123.009 123.009 121.873 1.136 19397
258 1 2 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.805 -0.091 19397
259 1 2 . 1 1 51 51 LYS H H 51 8.132 8.132 8.422 -0.290 19397
260 1 2 . 1 1 56 56 LEU N N 56 123.359 123.359 121.492 1.867 19397
261 1 2 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.390 -0.202 19397
262 1 2 . 1 1 56 56 LEU H H 56 8.627 8.627 8.157 0.470 19397
263 1 2 . 1 1 57 57 SER N N 57 113.706 113.706 113.689 0.017 19397
264 1 2 . 1 1 57 57 SER HA H 57 4.265 4.265 4.699 -0.434 19397
265 1 2 . 1 1 57 57 SER H H 57 8.719 8.719 7.701 1.018 19397
266 1 2 . 1 1 59 59 TYR N N 59 120.883 120.883 119.314 1.569 19397
267 1 2 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.612 -0.076 19397
268 1 2 . 1 1 59 59 TYR H H 59 7.737 7.737 7.998 -0.261 19397
269 1 2 . 1 1 61 61 ILE N N 61 117.591 117.591 118.097 -0.506 19397
270 1 2 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.698 -0.599 19397
271 1 2 . 1 1 61 61 ILE H H 61 6.997 6.997 7.831 -0.834 19397
272 1 2 . 1 1 64 64 GLU N N 64 126.670 126.670 120.479 6.191 19397
273 1 2 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.445 0.114 19397
274 1 2 . 1 1 64 64 GLU H H 64 8.132 8.132 8.462 -0.330 19397
275 1 2 . 1 1 67 67 ILE N N 67 121.803 121.803 116.737 5.066 19397
276 1 2 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.440 0.057 19397
277 1 2 . 1 1 67 67 ILE H H 67 8.488 8.488 8.420 0.068 19397
278 1 2 . 1 1 68 68 HIS N N 68 124.455 124.455 123.884 0.571 19397
279 1 2 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.647 -0.516 19397
280 1 2 . 1 1 68 68 HIS H H 68 8.425 8.425 8.426 -0.001 19397
281 1 2 . 1 1 69 69 LEU N N 69 122.823 122.823 123.705 -0.882 19397
282 1 2 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.119 0.198 19397
283 1 2 . 1 1 69 69 LEU H H 69 9.322 9.322 8.755 0.567 19397
284 1 2 . 1 1 70 70 THR N N 70 118.743 118.743 111.078 7.665 19397
285 1 2 . 1 1 70 70 THR HA H 70 5.009 5.009 4.899 0.110 19397
286 1 2 . 1 1 70 70 THR H H 70 9.107 9.107 8.117 0.990 19397
287 1 2 . 1 1 71 71 LEU N N 71 126.880 126.880 119.892 6.988 19397
288 1 2 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.840 0.523 19397
289 1 2 . 1 1 71 71 LEU H H 71 8.829 8.829 8.049 0.780 19397
290 1 2 . 1 1 72 72 LYS N N 72 128.792 128.792 119.926 8.866 19397
291 1 2 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.720 -0.037 19397
292 1 2 . 1 1 72 72 LYS H H 72 9.570 9.570 8.744 0.826 19397
293 1 2 . 1 1 73 73 VAL N N 73 120.771 120.771 122.679 -1.908 19397
294 1 2 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.665 0.142 19397
295 1 2 . 1 1 73 73 VAL H H 73 8.488 8.488 8.533 -0.045 19397
296 1 2 . 1 1 74 74 VAL N N 74 127.859 127.859 122.487 5.372 19397
297 1 2 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.602 -0.646 19397
298 1 2 . 1 1 74 74 VAL H H 74 8.715 8.715 8.373 0.342 19397
299 1 3 . 1 1 2 2 CYS N N 2 123.896 123.896 116.951 6.945 19397
300 1 3 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.849 -0.206 19397
301 1 3 . 1 1 2 2 CYS H H 2 8.271 8.271 8.448 -0.177 19397
302 1 3 . 1 1 3 3 VAL N N 3 128.209 128.209 115.923 12.286 19397
303 1 3 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.585 -0.360 19397
304 1 3 . 1 1 3 3 VAL H H 3 8.930 8.930 7.924 1.006 19397
305 1 3 . 1 1 4 4 HIS N N 4 126.227 126.227 121.463 4.764 19397
306 1 3 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.085 0.279 19397
307 1 3 . 1 1 4 4 HIS H H 4 8.723 8.723 8.599 0.124 19397
308 1 3 . 1 1 5 5 VAL N N 5 122.706 122.706 116.836 5.870 19397
309 1 3 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.049 -0.413 19397
310 1 3 . 1 1 5 5 VAL H H 5 9.400 9.400 8.404 0.996 19397
311 1 3 . 1 1 6 6 ARG N N 6 130.121 130.121 124.112 6.009 19397
312 1 3 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.671 0.321 19397
313 1 3 . 1 1 6 6 ARG H H 6 8.874 8.874 8.421 0.453 19397
314 1 3 . 1 1 7 7 SER N N 7 117.297 117.297 113.588 3.709 19397
315 1 3 . 1 1 7 7 SER HA H 7 5.085 5.085 4.276 0.809 19397
316 1 3 . 1 1 7 7 SER H H 7 8.936 8.936 8.440 0.496 19397
317 1 3 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.051 -0.306 19397
318 1 3 . 1 1 10 10 TRP H H 10 7.235 7.235 8.548 -1.313 19397
319 1 3 . 1 1 11 11 ASP N N 11 117.787 117.787 119.463 -1.676 19397
320 1 3 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.685 0.106 19397
321 1 3 . 1 1 11 11 ASP H H 11 7.665 7.665 7.103 0.562 19397
322 1 3 . 1 1 13 13 MET N N 13 122.940 122.940 116.780 6.160 19397
323 1 3 . 1 1 13 13 MET HA H 13 4.858 4.858 4.967 -0.109 19397
324 1 3 . 1 1 13 13 MET H H 13 8.827 8.827 8.351 0.476 19397
325 1 3 . 1 1 14 14 THR N N 14 121.214 121.214 114.260 6.954 19397
326 1 3 . 1 1 14 14 THR HA H 14 5.262 5.262 4.550 0.712 19397
327 1 3 . 1 1 14 14 THR H H 14 8.273 8.273 8.187 0.086 19397
328 1 3 . 1 1 16 16 ASP N N 16 122.962 122.962 125.215 -2.253 19397
329 1 3 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.707 -0.086 19397
330 1 3 . 1 1 16 16 ASP H H 16 8.719 8.719 7.764 0.955 19397
331 1 3 . 1 1 17 17 ALA N N 17 118.368 118.368 123.511 -5.143 19397
332 1 3 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.596 0.535 19397
333 1 3 . 1 1 17 17 ALA H H 17 8.670 8.670 8.198 0.472 19397
334 1 3 . 1 1 18 18 ASN N N 18 123.103 123.103 121.590 1.513 19397
335 1 3 . 1 1 20 20 TYR N N 20 128.229 128.229 123.709 4.520 19397
336 1 3 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.560 0.028 19397
337 1 3 . 1 1 20 20 TYR H H 20 7.004 7.004 8.454 -1.450 19397
338 1 3 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.967 -0.296 19397
339 1 3 . 1 1 21 21 ASP H H 21 7.590 7.590 7.971 -0.381 19397
340 1 3 . 1 1 23 23 VAL N N 23 123.649 123.649 118.418 5.231 19397
341 1 3 . 1 1 23 23 VAL HA H 23 3.415 3.415 4.030 -0.615 19397
342 1 3 . 1 1 23 23 VAL H H 23 8.753 8.753 8.001 0.752 19397
343 1 3 . 1 1 25 25 LYS N N 25 119.120 119.120 119.180 -0.060 19397
344 1 3 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.062 -0.191 19397
345 1 3 . 1 1 25 25 LYS H H 25 7.760 7.760 7.485 0.275 19397
346 1 3 . 1 1 26 26 ILE N N 26 117.483 117.483 120.183 -2.700 19397
347 1 3 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.926 -0.418 19397
348 1 3 . 1 1 26 26 ILE H H 26 7.324 7.324 7.516 -0.192 19397
349 1 3 . 1 1 27 27 LYS N N 27 119.349 119.349 119.513 -0.164 19397
350 1 3 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.055 0.345 19397
351 1 3 . 1 1 27 27 LYS H H 27 7.665 7.665 8.148 -0.483 19397
352 1 3 . 1 1 28 28 GLU N N 28 121.785 121.785 117.333 4.452 19397
353 1 3 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.105 -0.335 19397
354 1 3 . 1 1 28 28 GLU H H 28 8.379 8.379 7.778 0.601 19397
355 1 3 . 1 1 29 29 HIS N N 29 122.422 122.422 115.654 6.768 19397
356 1 3 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.396 -0.193 19397
357 1 3 . 1 1 29 29 HIS H H 29 7.590 7.590 7.601 -0.011 19397
358 1 3 . 1 1 30 30 VAL N N 30 121.437 121.437 115.422 6.015 19397
359 1 3 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.891 -0.414 19397
360 1 3 . 1 1 30 30 VAL H H 30 8.412 8.412 7.247 1.165 19397
361 1 3 . 1 1 32 32 SER N N 32 121.037 121.037 118.930 2.107 19397
362 1 3 . 1 1 33 33 LYS N N 33 125.831 125.831 117.049 8.782 19397
363 1 3 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.466 -0.709 19397
364 1 3 . 1 1 33 33 LYS H H 33 8.918 8.918 8.312 0.606 19397
365 1 3 . 1 1 34 34 THR N N 34 116.691 116.691 113.520 3.171 19397
366 1 3 . 1 1 34 34 THR HA H 34 4.111 4.111 4.081 0.030 19397
367 1 3 . 1 1 34 34 THR H H 34 7.961 7.961 7.402 0.559 19397
368 1 3 . 1 1 35 35 LYS N N 35 117.623 117.623 119.424 -1.801 19397
369 1 3 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.222 0.130 19397
370 1 3 . 1 1 35 35 LYS H H 35 7.064 7.064 8.114 -1.050 19397
371 1 3 . 1 1 36 36 VAL N N 36 125.248 125.248 120.087 5.161 19397
372 1 3 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.356 -0.586 19397
373 1 3 . 1 1 36 36 VAL H H 36 7.918 7.918 7.498 0.420 19397
374 1 3 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.208 -0.130 19397
375 1 3 . 1 1 38 38 VAL H H 38 8.409 8.409 7.397 1.012 19397
376 1 3 . 1 1 39 39 GLN N N 39 115.805 115.805 126.566 -10.761 19397
377 1 3 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.227 -0.065 19397
378 1 3 . 1 1 39 39 GLN H H 39 8.793 8.793 8.506 0.287 19397
379 1 3 . 1 1 40 40 ASP N N 40 120.069 120.069 114.707 5.362 19397
380 1 3 . 1 1 40 40 ASP HA H 40 4.769 4.769 5.120 -0.351 19397
381 1 3 . 1 1 40 40 ASP H H 40 7.590 7.590 8.369 -0.779 19397
382 1 3 . 1 1 41 41 GLN N N 41 117.974 117.974 119.167 -1.193 19397
383 1 3 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.529 -0.076 19397
384 1 3 . 1 1 41 41 GLN H H 41 7.046 7.046 8.000 -0.954 19397
385 1 3 . 1 1 42 42 VAL N N 42 123.686 123.686 120.340 3.346 19397
386 1 3 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.587 -0.412 19397
387 1 3 . 1 1 42 42 VAL H H 42 8.842 8.842 8.413 0.429 19397
388 1 3 . 1 1 43 43 LEU N N 43 126.600 126.600 123.365 3.235 19397
389 1 3 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.724 0.726 19397
390 1 3 . 1 1 43 43 LEU H H 43 9.208 9.208 8.488 0.720 19397
391 1 3 . 1 1 44 44 LEU N N 44 120.515 120.515 123.738 -3.223 19397
392 1 3 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.146 0.032 19397
393 1 3 . 1 1 44 44 LEU H H 44 9.107 9.107 8.185 0.922 19397
394 1 3 . 1 1 45 45 LEU N N 45 124.199 124.199 123.356 0.843 19397
395 1 3 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.617 0.089 19397
396 1 3 . 1 1 45 45 LEU H H 45 8.551 8.551 8.325 0.226 19397
397 1 3 . 1 1 48 48 LYS N N 48 124.618 124.618 117.436 7.182 19397
398 1 3 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.536 -0.197 19397
399 1 3 . 1 1 48 48 LYS H H 48 7.982 7.982 7.540 0.442 19397
400 1 3 . 1 1 49 49 ILE N N 49 126.507 126.507 120.882 5.625 19397
401 1 3 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.593 -0.575 19397
402 1 3 . 1 1 49 49 ILE H H 49 8.399 8.399 8.294 0.105 19397
403 1 3 . 1 1 50 50 LEU N N 50 128.139 128.139 129.344 -1.205 19397
404 1 3 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.522 -0.396 19397
405 1 3 . 1 1 50 50 LEU H H 50 8.652 8.652 8.629 0.023 19397
406 1 3 . 1 1 51 51 LYS N N 51 123.009 123.009 122.696 0.313 19397
407 1 3 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.702 0.012 19397
408 1 3 . 1 1 51 51 LYS H H 51 8.132 8.132 8.437 -0.305 19397
409 1 3 . 1 1 56 56 LEU N N 56 123.359 123.359 115.077 8.282 19397
410 1 3 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.587 -0.399 19397
411 1 3 . 1 1 56 56 LEU H H 56 8.627 8.627 7.940 0.687 19397
412 1 3 . 1 1 57 57 SER N N 57 113.706 113.706 115.008 -1.302 19397
413 1 3 . 1 1 57 57 SER HA H 57 4.265 4.265 4.129 0.136 19397
414 1 3 . 1 1 57 57 SER H H 57 8.719 8.719 8.365 0.354 19397
415 1 3 . 1 1 59 59 TYR N N 59 120.883 120.883 121.788 -0.905 19397
416 1 3 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.446 0.090 19397
417 1 3 . 1 1 59 59 TYR H H 59 7.737 7.737 7.735 0.002 19397
418 1 3 . 1 1 61 61 ILE N N 61 117.591 117.591 117.465 0.126 19397
419 1 3 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.520 -0.421 19397
420 1 3 . 1 1 61 61 ILE H H 61 6.997 6.997 7.953 -0.956 19397
421 1 3 . 1 1 64 64 GLU N N 64 126.670 126.670 122.334 4.336 19397
422 1 3 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.483 0.076 19397
423 1 3 . 1 1 64 64 GLU H H 64 8.132 8.132 8.593 -0.461 19397
424 1 3 . 1 1 67 67 ILE N N 67 121.803 121.803 118.274 3.529 19397
425 1 3 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.448 0.049 19397
426 1 3 . 1 1 67 67 ILE H H 67 8.488 8.488 7.823 0.665 19397
427 1 3 . 1 1 68 68 HIS N N 68 124.455 124.455 123.988 0.467 19397
428 1 3 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.207 -0.076 19397
429 1 3 . 1 1 68 68 HIS H H 68 8.425 8.425 8.378 0.047 19397
430 1 3 . 1 1 69 69 LEU N N 69 122.823 122.823 125.241 -2.418 19397
431 1 3 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.723 0.594 19397
432 1 3 . 1 1 69 69 LEU H H 69 9.322 9.322 8.711 0.610 19397
433 1 3 . 1 1 70 70 THR N N 70 118.743 118.743 111.800 6.943 19397
434 1 3 . 1 1 70 70 THR HA H 70 5.009 5.009 4.630 0.379 19397
435 1 3 . 1 1 70 70 THR H H 70 9.107 9.107 8.113 0.994 19397
436 1 3 . 1 1 71 71 LEU N N 71 126.880 126.880 121.926 4.954 19397
437 1 3 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.664 0.699 19397
438 1 3 . 1 1 71 71 LEU H H 71 8.829 8.829 8.158 0.671 19397
439 1 3 . 1 1 72 72 LYS N N 72 128.792 128.792 122.460 6.332 19397
440 1 3 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.789 -0.106 19397
441 1 3 . 1 1 72 72 LYS H H 72 9.570 9.570 8.792 0.778 19397
442 1 3 . 1 1 73 73 VAL N N 73 120.771 120.771 122.544 -1.773 19397
443 1 3 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.846 -0.039 19397
444 1 3 . 1 1 73 73 VAL H H 73 8.488 8.488 8.454 0.034 19397
445 1 3 . 1 1 74 74 VAL N N 74 127.859 127.859 125.835 2.024 19397
446 1 3 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.471 -0.515 19397
447 1 3 . 1 1 74 74 VAL H H 74 8.715 8.715 8.398 0.317 19397
448 1 4 . 1 1 2 2 CYS N N 2 123.896 123.896 117.105 6.791 19397
449 1 4 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.913 -0.270 19397
450 1 4 . 1 1 2 2 CYS H H 2 8.271 8.271 8.537 -0.266 19397
451 1 4 . 1 1 3 3 VAL N N 3 128.209 128.209 117.309 10.900 19397
452 1 4 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.407 -0.182 19397
453 1 4 . 1 1 3 3 VAL H H 3 8.930 8.930 7.975 0.955 19397
454 1 4 . 1 1 4 4 HIS N N 4 126.227 126.227 121.293 4.934 19397
455 1 4 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.115 0.249 19397
456 1 4 . 1 1 4 4 HIS H H 4 8.723 8.723 8.460 0.263 19397
457 1 4 . 1 1 5 5 VAL N N 5 122.706 122.706 115.463 7.243 19397
458 1 4 . 1 1 5 5 VAL HA H 5 4.636 4.636 4.729 -0.093 19397
459 1 4 . 1 1 5 5 VAL H H 5 9.400 9.400 8.510 0.890 19397
460 1 4 . 1 1 6 6 ARG N N 6 130.121 130.121 124.087 6.034 19397
461 1 4 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.836 0.156 19397
462 1 4 . 1 1 6 6 ARG H H 6 8.874 8.874 8.292 0.582 19397
463 1 4 . 1 1 7 7 SER N N 7 117.297 117.297 115.531 1.766 19397
464 1 4 . 1 1 7 7 SER HA H 7 5.085 5.085 4.237 0.848 19397
465 1 4 . 1 1 7 7 SER H H 7 8.936 8.936 8.544 0.392 19397
466 1 4 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.806 -0.061 19397
467 1 4 . 1 1 10 10 TRP H H 10 7.235 7.235 8.312 -1.077 19397
468 1 4 . 1 1 11 11 ASP N N 11 117.787 117.787 119.406 -1.619 19397
469 1 4 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.961 -0.170 19397
470 1 4 . 1 1 11 11 ASP H H 11 7.665 7.665 7.862 -0.197 19397
471 1 4 . 1 1 13 13 MET N N 13 122.940 122.940 116.632 6.308 19397
472 1 4 . 1 1 13 13 MET HA H 13 4.858 4.858 4.873 -0.015 19397
473 1 4 . 1 1 13 13 MET H H 13 8.827 8.827 8.425 0.402 19397
474 1 4 . 1 1 14 14 THR N N 14 121.214 121.214 114.019 7.195 19397
475 1 4 . 1 1 14 14 THR HA H 14 5.262 5.262 4.466 0.796 19397
476 1 4 . 1 1 14 14 THR H H 14 8.273 8.273 8.152 0.121 19397
477 1 4 . 1 1 16 16 ASP N N 16 122.962 122.962 126.821 -3.859 19397
478 1 4 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.807 -0.186 19397
479 1 4 . 1 1 16 16 ASP H H 16 8.719 8.719 7.728 0.991 19397
480 1 4 . 1 1 17 17 ALA N N 17 118.368 118.368 121.064 -2.696 19397
481 1 4 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.576 0.555 19397
482 1 4 . 1 1 17 17 ALA H H 17 8.670 8.670 8.157 0.513 19397
483 1 4 . 1 1 18 18 ASN N N 18 123.103 123.103 117.106 5.997 19397
484 1 4 . 1 1 20 20 TYR N N 20 128.229 128.229 122.859 5.370 19397
485 1 4 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.657 -0.069 19397
486 1 4 . 1 1 20 20 TYR H H 20 7.004 7.004 7.854 -0.850 19397
487 1 4 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.905 -0.234 19397
488 1 4 . 1 1 21 21 ASP H H 21 7.590 7.590 8.540 -0.950 19397
489 1 4 . 1 1 23 23 VAL N N 23 123.649 123.649 121.382 2.267 19397
490 1 4 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.907 -0.492 19397
491 1 4 . 1 1 23 23 VAL H H 23 8.753 8.753 8.133 0.620 19397
492 1 4 . 1 1 25 25 LYS N N 25 119.120 119.120 119.621 -0.501 19397
493 1 4 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.040 -0.169 19397
494 1 4 . 1 1 25 25 LYS H H 25 7.760 7.760 7.462 0.298 19397
495 1 4 . 1 1 26 26 ILE N N 26 117.483 117.483 119.777 -2.294 19397
496 1 4 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.902 -0.394 19397
497 1 4 . 1 1 26 26 ILE H H 26 7.324 7.324 7.509 -0.185 19397
498 1 4 . 1 1 27 27 LYS N N 27 119.349 119.349 119.782 -0.433 19397
499 1 4 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.071 0.329 19397
500 1 4 . 1 1 27 27 LYS H H 27 7.665 7.665 8.220 -0.555 19397
501 1 4 . 1 1 28 28 GLU N N 28 121.785 121.785 116.983 4.802 19397
502 1 4 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.163 -0.393 19397
503 1 4 . 1 1 28 28 GLU H H 28 8.379 8.379 7.910 0.469 19397
504 1 4 . 1 1 29 29 HIS N N 29 122.422 122.422 116.467 5.955 19397
505 1 4 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.437 -0.234 19397
506 1 4 . 1 1 29 29 HIS H H 29 7.590 7.590 7.592 -0.002 19397
507 1 4 . 1 1 30 30 VAL N N 30 121.437 121.437 115.569 5.868 19397
508 1 4 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.989 -0.512 19397
509 1 4 . 1 1 30 30 VAL H H 30 8.412 8.412 7.260 1.152 19397
510 1 4 . 1 1 32 32 SER N N 32 121.037 121.037 119.135 1.902 19397
511 1 4 . 1 1 33 33 LYS N N 33 125.831 125.831 116.896 8.935 19397
512 1 4 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.532 -0.775 19397
513 1 4 . 1 1 33 33 LYS H H 33 8.918 8.918 8.337 0.581 19397
514 1 4 . 1 1 34 34 THR N N 34 116.691 116.691 113.150 3.541 19397
515 1 4 . 1 1 34 34 THR HA H 34 4.111 4.111 4.146 -0.035 19397
516 1 4 . 1 1 34 34 THR H H 34 7.961 7.961 7.576 0.385 19397
517 1 4 . 1 1 35 35 LYS N N 35 117.623 117.623 119.667 -2.044 19397
518 1 4 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.219 0.133 19397
519 1 4 . 1 1 35 35 LYS H H 35 7.064 7.064 8.102 -1.038 19397
520 1 4 . 1 1 36 36 VAL N N 36 125.248 125.248 120.372 4.876 19397
521 1 4 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.323 -0.553 19397
522 1 4 . 1 1 36 36 VAL H H 36 7.918 7.918 7.531 0.387 19397
523 1 4 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.251 -0.173 19397
524 1 4 . 1 1 38 38 VAL H H 38 8.409 8.409 7.513 0.896 19397
525 1 4 . 1 1 39 39 GLN N N 39 115.805 115.805 126.339 -10.534 19397
526 1 4 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.226 -0.064 19397
527 1 4 . 1 1 39 39 GLN H H 39 8.793 8.793 8.470 0.323 19397
528 1 4 . 1 1 40 40 ASP N N 40 120.069 120.069 115.390 4.679 19397
529 1 4 . 1 1 40 40 ASP HA H 40 4.769 4.769 5.006 -0.237 19397
530 1 4 . 1 1 40 40 ASP H H 40 7.590 7.590 8.316 -0.726 19397
531 1 4 . 1 1 41 41 GLN N N 41 117.974 117.974 118.794 -0.820 19397
532 1 4 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.598 -0.145 19397
533 1 4 . 1 1 41 41 GLN H H 41 7.046 7.046 7.787 -0.741 19397
534 1 4 . 1 1 42 42 VAL N N 42 123.686 123.686 120.997 2.689 19397
535 1 4 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.617 -0.442 19397
536 1 4 . 1 1 42 42 VAL H H 42 8.842 8.842 8.645 0.197 19397
537 1 4 . 1 1 43 43 LEU N N 43 126.600 126.600 122.440 4.160 19397
538 1 4 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.686 0.764 19397
539 1 4 . 1 1 43 43 LEU H H 43 9.208 9.208 7.955 1.253 19397
540 1 4 . 1 1 44 44 LEU N N 44 120.515 120.515 120.655 -0.140 19397
541 1 4 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.190 -0.012 19397
542 1 4 . 1 1 44 44 LEU H H 44 9.107 9.107 8.257 0.850 19397
543 1 4 . 1 1 45 45 LEU N N 45 124.199 124.199 122.807 1.392 19397
544 1 4 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.584 0.122 19397
545 1 4 . 1 1 45 45 LEU H H 45 8.551 8.551 8.622 -0.071 19397
546 1 4 . 1 1 48 48 LYS N N 48 124.618 124.618 118.693 5.925 19397
547 1 4 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.740 -0.401 19397
548 1 4 . 1 1 48 48 LYS H H 48 7.982 7.982 7.268 0.714 19397
549 1 4 . 1 1 49 49 ILE N N 49 126.507 126.507 120.608 5.899 19397
550 1 4 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.744 -0.726 19397
551 1 4 . 1 1 49 49 ILE H H 49 8.399 8.399 8.521 -0.122 19397
552 1 4 . 1 1 50 50 LEU N N 50 128.139 128.139 126.054 2.085 19397
553 1 4 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.427 -0.301 19397
554 1 4 . 1 1 50 50 LEU H H 50 8.652 8.652 8.394 0.258 19397
555 1 4 . 1 1 51 51 LYS N N 51 123.009 123.009 125.580 -2.571 19397
556 1 4 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.396 0.318 19397
557 1 4 . 1 1 51 51 LYS H H 51 8.132 8.132 8.289 -0.157 19397
558 1 4 . 1 1 56 56 LEU N N 56 123.359 123.359 126.214 -2.855 19397
559 1 4 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.442 -0.254 19397
560 1 4 . 1 1 56 56 LEU H H 56 8.627 8.627 8.578 0.049 19397
561 1 4 . 1 1 57 57 SER N N 57 113.706 113.706 112.819 0.887 19397
562 1 4 . 1 1 57 57 SER HA H 57 4.265 4.265 4.792 -0.527 19397
563 1 4 . 1 1 57 57 SER H H 57 8.719 8.719 8.168 0.551 19397
564 1 4 . 1 1 59 59 TYR N N 59 120.883 120.883 118.808 2.075 19397
565 1 4 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.538 -0.002 19397
566 1 4 . 1 1 59 59 TYR H H 59 7.737 7.737 8.390 -0.653 19397
567 1 4 . 1 1 61 61 ILE N N 61 117.591 117.591 120.582 -2.991 19397
568 1 4 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.217 -0.118 19397
569 1 4 . 1 1 61 61 ILE H H 61 6.997 6.997 7.304 -0.307 19397
570 1 4 . 1 1 64 64 GLU N N 64 126.670 126.670 123.540 3.130 19397
571 1 4 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.408 0.151 19397
572 1 4 . 1 1 64 64 GLU H H 64 8.132 8.132 8.463 -0.331 19397
573 1 4 . 1 1 67 67 ILE N N 67 121.803 121.803 118.218 3.585 19397
574 1 4 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.566 -0.069 19397
575 1 4 . 1 1 67 67 ILE H H 67 8.488 8.488 8.612 -0.124 19397
576 1 4 . 1 1 68 68 HIS N N 68 124.455 124.455 122.733 1.722 19397
577 1 4 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.497 -0.366 19397
578 1 4 . 1 1 68 68 HIS H H 68 8.425 8.425 8.507 -0.082 19397
579 1 4 . 1 1 69 69 LEU N N 69 122.823 122.823 124.386 -1.563 19397
580 1 4 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.948 0.369 19397
581 1 4 . 1 1 69 69 LEU H H 69 9.322 9.322 8.416 0.906 19397
582 1 4 . 1 1 70 70 THR N N 70 118.743 118.743 111.331 7.412 19397
583 1 4 . 1 1 70 70 THR HA H 70 5.009 5.009 4.593 0.416 19397
584 1 4 . 1 1 70 70 THR H H 70 9.107 9.107 7.935 1.172 19397
585 1 4 . 1 1 71 71 LEU N N 71 126.880 126.880 121.214 5.666 19397
586 1 4 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.623 0.740 19397
587 1 4 . 1 1 71 71 LEU H H 71 8.829 8.829 8.215 0.614 19397
588 1 4 . 1 1 72 72 LYS N N 72 128.792 128.792 121.422 7.370 19397
589 1 4 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.672 0.011 19397
590 1 4 . 1 1 72 72 LYS H H 72 9.570 9.570 8.567 1.003 19397
591 1 4 . 1 1 73 73 VAL N N 73 120.771 120.771 123.090 -2.319 19397
592 1 4 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.882 -0.075 19397
593 1 4 . 1 1 73 73 VAL H H 73 8.488 8.488 8.601 -0.113 19397
594 1 4 . 1 1 74 74 VAL N N 74 127.859 127.859 125.659 2.200 19397
595 1 4 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.498 -0.542 19397
596 1 4 . 1 1 74 74 VAL H H 74 8.715 8.715 8.423 0.292 19397
597 1 5 . 1 1 2 2 CYS N N 2 123.896 123.896 116.217 7.679 19397
598 1 5 . 1 1 2 2 CYS HA H 2 4.643 4.643 5.005 -0.362 19397
599 1 5 . 1 1 2 2 CYS H H 2 8.271 8.271 8.612 -0.341 19397
600 1 5 . 1 1 3 3 VAL N N 3 128.209 128.209 116.325 11.884 19397
601 1 5 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.781 -0.556 19397
602 1 5 . 1 1 3 3 VAL H H 3 8.930 8.930 7.896 1.034 19397
603 1 5 . 1 1 4 4 HIS N N 4 126.227 126.227 120.600 5.627 19397
604 1 5 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.036 0.328 19397
605 1 5 . 1 1 4 4 HIS H H 4 8.723 8.723 8.715 0.008 19397
606 1 5 . 1 1 5 5 VAL N N 5 122.706 122.706 116.535 6.171 19397
607 1 5 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.017 -0.381 19397
608 1 5 . 1 1 5 5 VAL H H 5 9.400 9.400 8.512 0.888 19397
609 1 5 . 1 1 6 6 ARG N N 6 130.121 130.121 124.600 5.521 19397
610 1 5 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.873 0.119 19397
611 1 5 . 1 1 6 6 ARG H H 6 8.874 8.874 7.957 0.917 19397
612 1 5 . 1 1 7 7 SER N N 7 117.297 117.297 117.846 -0.549 19397
613 1 5 . 1 1 7 7 SER HA H 7 5.085 5.085 4.434 0.651 19397
614 1 5 . 1 1 7 7 SER H H 7 8.936 8.936 8.258 0.678 19397
615 1 5 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.025 -0.280 19397
616 1 5 . 1 1 10 10 TRP H H 10 7.235 7.235 7.598 -0.363 19397
617 1 5 . 1 1 11 11 ASP N N 11 117.787 117.787 119.317 -1.530 19397
618 1 5 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.770 0.021 19397
619 1 5 . 1 1 11 11 ASP H H 11 7.665 7.665 7.463 0.202 19397
620 1 5 . 1 1 13 13 MET N N 13 122.940 122.940 118.124 4.816 19397
621 1 5 . 1 1 13 13 MET HA H 13 4.858 4.858 4.820 0.038 19397
622 1 5 . 1 1 13 13 MET H H 13 8.827 8.827 8.625 0.202 19397
623 1 5 . 1 1 14 14 THR N N 14 121.214 121.214 114.204 7.010 19397
624 1 5 . 1 1 14 14 THR HA H 14 5.262 5.262 4.507 0.755 19397
625 1 5 . 1 1 14 14 THR H H 14 8.273 8.273 8.137 0.136 19397
626 1 5 . 1 1 16 16 ASP N N 16 122.962 122.962 126.817 -3.855 19397
627 1 5 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.891 -0.270 19397
628 1 5 . 1 1 16 16 ASP H H 16 8.719 8.719 8.352 0.367 19397
629 1 5 . 1 1 17 17 ALA N N 17 118.368 118.368 121.352 -2.984 19397
630 1 5 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.677 0.454 19397
631 1 5 . 1 1 17 17 ALA H H 17 8.670 8.670 8.223 0.447 19397
632 1 5 . 1 1 18 18 ASN N N 18 123.103 123.103 118.500 4.603 19397
633 1 5 . 1 1 20 20 TYR N N 20 128.229 128.229 124.328 3.901 19397
634 1 5 . 1 1 20 20 TYR HA H 20 4.588 4.588 3.997 0.591 19397
635 1 5 . 1 1 20 20 TYR H H 20 7.004 7.004 8.396 -1.392 19397
636 1 5 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.561 0.110 19397
637 1 5 . 1 1 21 21 ASP H H 21 7.590 7.590 8.568 -0.978 19397
638 1 5 . 1 1 23 23 VAL N N 23 123.649 123.649 117.449 6.200 19397
639 1 5 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.887 -0.472 19397
640 1 5 . 1 1 23 23 VAL H H 23 8.753 8.753 7.929 0.824 19397
641 1 5 . 1 1 25 25 LYS N N 25 119.120 119.120 118.959 0.161 19397
642 1 5 . 1 1 25 25 LYS HA H 25 3.871 3.871 3.961 -0.090 19397
643 1 5 . 1 1 25 25 LYS H H 25 7.760 7.760 7.387 0.373 19397
644 1 5 . 1 1 26 26 ILE N N 26 117.483 117.483 119.669 -2.186 19397
645 1 5 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.775 -0.267 19397
646 1 5 . 1 1 26 26 ILE H H 26 7.324 7.324 7.579 -0.255 19397
647 1 5 . 1 1 27 27 LYS N N 27 119.349 119.349 119.075 0.274 19397
648 1 5 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.049 0.351 19397
649 1 5 . 1 1 27 27 LYS H H 27 7.665 7.665 8.051 -0.386 19397
650 1 5 . 1 1 28 28 GLU N N 28 121.785 121.785 117.601 4.184 19397
651 1 5 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.121 -0.351 19397
652 1 5 . 1 1 28 28 GLU H H 28 8.379 8.379 8.102 0.277 19397
653 1 5 . 1 1 29 29 HIS N N 29 122.422 122.422 116.806 5.616 19397
654 1 5 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.365 -0.162 19397
655 1 5 . 1 1 29 29 HIS H H 29 7.590 7.590 7.643 -0.053 19397
656 1 5 . 1 1 30 30 VAL N N 30 121.437 121.437 117.319 4.118 19397
657 1 5 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.972 -0.495 19397
658 1 5 . 1 1 30 30 VAL H H 30 8.412 8.412 7.513 0.899 19397
659 1 5 . 1 1 32 32 SER N N 32 121.037 121.037 117.581 3.456 19397
660 1 5 . 1 1 33 33 LYS N N 33 125.831 125.831 115.999 9.832 19397
661 1 5 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.736 -0.979 19397
662 1 5 . 1 1 33 33 LYS H H 33 8.918 8.918 8.157 0.761 19397
663 1 5 . 1 1 34 34 THR N N 34 116.691 116.691 113.847 2.844 19397
664 1 5 . 1 1 34 34 THR HA H 34 4.111 4.111 4.014 0.097 19397
665 1 5 . 1 1 34 34 THR H H 34 7.961 7.961 7.609 0.352 19397
666 1 5 . 1 1 35 35 LYS N N 35 117.623 117.623 120.056 -2.433 19397
667 1 5 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.202 0.150 19397
668 1 5 . 1 1 35 35 LYS H H 35 7.064 7.064 8.152 -1.088 19397
669 1 5 . 1 1 36 36 VAL N N 36 125.248 125.248 119.891 5.357 19397
670 1 5 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.439 -0.669 19397
671 1 5 . 1 1 36 36 VAL H H 36 7.918 7.918 7.568 0.350 19397
672 1 5 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.007 0.071 19397
673 1 5 . 1 1 38 38 VAL H H 38 8.409 8.409 8.176 0.233 19397
674 1 5 . 1 1 39 39 GLN N N 39 115.805 115.805 124.781 -8.976 19397
675 1 5 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.455 -0.293 19397
676 1 5 . 1 1 39 39 GLN H H 39 8.793 8.793 8.529 0.264 19397
677 1 5 . 1 1 40 40 ASP N N 40 120.069 120.069 115.002 5.067 19397
678 1 5 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.782 -0.013 19397
679 1 5 . 1 1 40 40 ASP H H 40 7.590 7.590 8.356 -0.766 19397
680 1 5 . 1 1 41 41 GLN N N 41 117.974 117.974 118.726 -0.752 19397
681 1 5 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.484 -0.031 19397
682 1 5 . 1 1 41 41 GLN H H 41 7.046 7.046 7.737 -0.691 19397
683 1 5 . 1 1 42 42 VAL N N 42 123.686 123.686 120.850 2.836 19397
684 1 5 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.560 -0.385 19397
685 1 5 . 1 1 42 42 VAL H H 42 8.842 8.842 8.489 0.353 19397
686 1 5 . 1 1 43 43 LEU N N 43 126.600 126.600 122.789 3.811 19397
687 1 5 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.744 0.706 19397
688 1 5 . 1 1 43 43 LEU H H 43 9.208 9.208 7.848 1.360 19397
689 1 5 . 1 1 44 44 LEU N N 44 120.515 120.515 121.622 -1.107 19397
690 1 5 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.188 -0.010 19397
691 1 5 . 1 1 44 44 LEU H H 44 9.107 9.107 8.789 0.318 19397
692 1 5 . 1 1 45 45 LEU N N 45 124.199 124.199 123.609 0.590 19397
693 1 5 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.560 0.146 19397
694 1 5 . 1 1 45 45 LEU H H 45 8.551 8.551 8.363 0.188 19397
695 1 5 . 1 1 48 48 LYS N N 48 124.618 124.618 117.782 6.836 19397
696 1 5 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.758 -0.419 19397
697 1 5 . 1 1 48 48 LYS H H 48 7.982 7.982 7.440 0.542 19397
698 1 5 . 1 1 49 49 ILE N N 49 126.507 126.507 120.957 5.550 19397
699 1 5 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.668 -0.650 19397
700 1 5 . 1 1 49 49 ILE H H 49 8.399 8.399 8.285 0.114 19397
701 1 5 . 1 1 50 50 LEU N N 50 128.139 128.139 130.868 -2.729 19397
702 1 5 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.635 -0.509 19397
703 1 5 . 1 1 50 50 LEU H H 50 8.652 8.652 8.873 -0.221 19397
704 1 5 . 1 1 51 51 LYS N N 51 123.009 123.009 128.725 -5.716 19397
705 1 5 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.354 0.360 19397
706 1 5 . 1 1 51 51 LYS H H 51 8.132 8.132 8.531 -0.399 19397
707 1 5 . 1 1 56 56 LEU N N 56 123.359 123.359 120.482 2.877 19397
708 1 5 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.635 -0.447 19397
709 1 5 . 1 1 56 56 LEU H H 56 8.627 8.627 8.536 0.091 19397
710 1 5 . 1 1 57 57 SER N N 57 113.706 113.706 115.660 -1.954 19397
711 1 5 . 1 1 57 57 SER HA H 57 4.265 4.265 4.029 0.236 19397
712 1 5 . 1 1 57 57 SER H H 57 8.719 8.719 8.222 0.497 19397
713 1 5 . 1 1 59 59 TYR N N 59 120.883 120.883 119.040 1.843 19397
714 1 5 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.538 -0.002 19397
715 1 5 . 1 1 59 59 TYR H H 59 7.737 7.737 8.226 -0.489 19397
716 1 5 . 1 1 61 61 ILE N N 61 117.591 117.591 117.037 0.554 19397
717 1 5 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.534 -0.435 19397
718 1 5 . 1 1 61 61 ILE H H 61 6.997 6.997 7.600 -0.603 19397
719 1 5 . 1 1 64 64 GLU N N 64 126.670 126.670 121.157 5.513 19397
720 1 5 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.055 0.504 19397
721 1 5 . 1 1 64 64 GLU H H 64 8.132 8.132 8.268 -0.136 19397
722 1 5 . 1 1 67 67 ILE N N 67 121.803 121.803 115.164 6.639 19397
723 1 5 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.504 -0.007 19397
724 1 5 . 1 1 67 67 ILE H H 67 8.488 8.488 8.479 0.009 19397
725 1 5 . 1 1 68 68 HIS N N 68 124.455 124.455 123.394 1.061 19397
726 1 5 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.504 -0.373 19397
727 1 5 . 1 1 68 68 HIS H H 68 8.425 8.425 8.518 -0.093 19397
728 1 5 . 1 1 69 69 LEU N N 69 122.823 122.823 125.122 -2.299 19397
729 1 5 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.919 0.398 19397
730 1 5 . 1 1 69 69 LEU H H 69 9.322 9.322 8.599 0.723 19397
731 1 5 . 1 1 70 70 THR N N 70 118.743 118.743 111.660 7.083 19397
732 1 5 . 1 1 70 70 THR HA H 70 5.009 5.009 4.646 0.363 19397
733 1 5 . 1 1 70 70 THR H H 70 9.107 9.107 8.125 0.982 19397
734 1 5 . 1 1 71 71 LEU N N 71 126.880 126.880 124.541 2.339 19397
735 1 5 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.905 0.458 19397
736 1 5 . 1 1 71 71 LEU H H 71 8.829 8.829 8.055 0.774 19397
737 1 5 . 1 1 72 72 LYS N N 72 128.792 128.792 121.916 6.876 19397
738 1 5 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.767 -0.084 19397
739 1 5 . 1 1 72 72 LYS H H 72 9.570 9.570 8.688 0.882 19397
740 1 5 . 1 1 73 73 VAL N N 73 120.771 120.771 119.850 0.921 19397
741 1 5 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.783 0.024 19397
742 1 5 . 1 1 73 73 VAL H H 73 8.488 8.488 8.282 0.206 19397
743 1 5 . 1 1 74 74 VAL N N 74 127.859 127.859 121.496 6.363 19397
744 1 5 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.704 -0.748 19397
745 1 5 . 1 1 74 74 VAL H H 74 8.715 8.715 8.105 0.610 19397
746 1 6 . 1 1 2 2 CYS N N 2 123.896 123.896 116.733 7.163 19397
747 1 6 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.880 -0.237 19397
748 1 6 . 1 1 2 2 CYS H H 2 8.271 8.271 8.447 -0.176 19397
749 1 6 . 1 1 3 3 VAL N N 3 128.209 128.209 117.488 10.721 19397
750 1 6 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.724 -0.499 19397
751 1 6 . 1 1 3 3 VAL H H 3 8.930 8.930 7.851 1.079 19397
752 1 6 . 1 1 4 4 HIS N N 4 126.227 126.227 118.495 7.732 19397
753 1 6 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.914 0.450 19397
754 1 6 . 1 1 4 4 HIS H H 4 8.723 8.723 8.402 0.321 19397
755 1 6 . 1 1 5 5 VAL N N 5 122.706 122.706 116.169 6.537 19397
756 1 6 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.396 -0.760 19397
757 1 6 . 1 1 5 5 VAL H H 5 9.400 9.400 8.378 1.022 19397
758 1 6 . 1 1 6 6 ARG N N 6 130.121 130.121 123.404 6.717 19397
759 1 6 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.657 0.335 19397
760 1 6 . 1 1 6 6 ARG H H 6 8.874 8.874 8.717 0.157 19397
761 1 6 . 1 1 7 7 SER N N 7 117.297 117.297 114.216 3.081 19397
762 1 6 . 1 1 7 7 SER HA H 7 5.085 5.085 4.242 0.843 19397
763 1 6 . 1 1 7 7 SER H H 7 8.936 8.936 8.369 0.567 19397
764 1 6 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.836 -0.091 19397
765 1 6 . 1 1 10 10 TRP H H 10 7.235 7.235 8.581 -1.346 19397
766 1 6 . 1 1 11 11 ASP N N 11 117.787 117.787 117.296 0.491 19397
767 1 6 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.769 0.022 19397
768 1 6 . 1 1 11 11 ASP H H 11 7.665 7.665 7.830 -0.165 19397
769 1 6 . 1 1 13 13 MET N N 13 122.940 122.940 118.100 4.840 19397
770 1 6 . 1 1 13 13 MET HA H 13 4.858 4.858 4.767 0.091 19397
771 1 6 . 1 1 13 13 MET H H 13 8.827 8.827 8.576 0.251 19397
772 1 6 . 1 1 14 14 THR N N 14 121.214 121.214 114.295 6.919 19397
773 1 6 . 1 1 14 14 THR HA H 14 5.262 5.262 4.494 0.768 19397
774 1 6 . 1 1 14 14 THR H H 14 8.273 8.273 8.197 0.076 19397
775 1 6 . 1 1 16 16 ASP N N 16 122.962 122.962 126.609 -3.647 19397
776 1 6 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.771 -0.150 19397
777 1 6 . 1 1 16 16 ASP H H 16 8.719 8.719 8.032 0.687 19397
778 1 6 . 1 1 17 17 ALA N N 17 118.368 118.368 121.994 -3.626 19397
779 1 6 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.608 0.523 19397
780 1 6 . 1 1 17 17 ALA H H 17 8.670 8.670 8.259 0.411 19397
781 1 6 . 1 1 18 18 ASN N N 18 123.103 123.103 119.289 3.814 19397
782 1 6 . 1 1 20 20 TYR N N 20 128.229 128.229 123.267 4.962 19397
783 1 6 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.006 0.582 19397
784 1 6 . 1 1 20 20 TYR H H 20 7.004 7.004 8.308 -1.304 19397
785 1 6 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.615 0.056 19397
786 1 6 . 1 1 21 21 ASP H H 21 7.590 7.590 8.770 -1.180 19397
787 1 6 . 1 1 23 23 VAL N N 23 123.649 123.649 122.457 1.192 19397
788 1 6 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.808 -0.393 19397
789 1 6 . 1 1 23 23 VAL H H 23 8.753 8.753 7.709 1.044 19397
790 1 6 . 1 1 25 25 LYS N N 25 119.120 119.120 119.665 -0.545 19397
791 1 6 . 1 1 25 25 LYS HA H 25 3.871 3.871 3.996 -0.125 19397
792 1 6 . 1 1 25 25 LYS H H 25 7.760 7.760 7.394 0.366 19397
793 1 6 . 1 1 26 26 ILE N N 26 117.483 117.483 119.320 -1.837 19397
794 1 6 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.852 -0.344 19397
795 1 6 . 1 1 26 26 ILE H H 26 7.324 7.324 7.677 -0.353 19397
796 1 6 . 1 1 27 27 LYS N N 27 119.349 119.349 119.897 -0.548 19397
797 1 6 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.098 0.302 19397
798 1 6 . 1 1 27 27 LYS H H 27 7.665 7.665 8.358 -0.693 19397
799 1 6 . 1 1 28 28 GLU N N 28 121.785 121.785 117.787 3.998 19397
800 1 6 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.168 -0.398 19397
801 1 6 . 1 1 28 28 GLU H H 28 8.379 8.379 7.867 0.512 19397
802 1 6 . 1 1 29 29 HIS N N 29 122.422 122.422 115.705 6.717 19397
803 1 6 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397
804 1 6 . 1 1 29 29 HIS H H 29 7.590 7.590 7.689 -0.099 19397
805 1 6 . 1 1 30 30 VAL N N 30 121.437 121.437 115.996 5.441 19397
806 1 6 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.030 -0.553 19397
807 1 6 . 1 1 30 30 VAL H H 30 8.412 8.412 7.318 1.094 19397
808 1 6 . 1 1 32 32 SER N N 32 121.037 121.037 119.615 1.422 19397
809 1 6 . 1 1 33 33 LYS N N 33 125.831 125.831 117.732 8.099 19397
810 1 6 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.632 -0.875 19397
811 1 6 . 1 1 33 33 LYS H H 33 8.918 8.918 7.339 1.579 19397
812 1 6 . 1 1 34 34 THR N N 34 116.691 116.691 113.741 2.950 19397
813 1 6 . 1 1 34 34 THR HA H 34 4.111 4.111 4.109 0.002 19397
814 1 6 . 1 1 34 34 THR H H 34 7.961 7.961 7.729 0.232 19397
815 1 6 . 1 1 35 35 LYS N N 35 117.623 117.623 120.331 -2.708 19397
816 1 6 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.269 0.083 19397
817 1 6 . 1 1 35 35 LYS H H 35 7.064 7.064 7.916 -0.852 19397
818 1 6 . 1 1 36 36 VAL N N 36 125.248 125.248 121.473 3.775 19397
819 1 6 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.381 -0.611 19397
820 1 6 . 1 1 36 36 VAL H H 36 7.918 7.918 7.637 0.281 19397
821 1 6 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.909 0.169 19397
822 1 6 . 1 1 38 38 VAL H H 38 8.409 8.409 8.001 0.408 19397
823 1 6 . 1 1 39 39 GLN N N 39 115.805 115.805 124.218 -8.413 19397
824 1 6 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.320 -0.158 19397
825 1 6 . 1 1 39 39 GLN H H 39 8.793 8.793 8.672 0.121 19397
826 1 6 . 1 1 40 40 ASP N N 40 120.069 120.069 114.711 5.358 19397
827 1 6 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.933 -0.164 19397
828 1 6 . 1 1 40 40 ASP H H 40 7.590 7.590 8.423 -0.833 19397
829 1 6 . 1 1 41 41 GLN N N 41 117.974 117.974 119.076 -1.102 19397
830 1 6 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.577 -0.124 19397
831 1 6 . 1 1 41 41 GLN H H 41 7.046 7.046 7.807 -0.761 19397
832 1 6 . 1 1 42 42 VAL N N 42 123.686 123.686 121.066 2.620 19397
833 1 6 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.611 -0.436 19397
834 1 6 . 1 1 42 42 VAL H H 42 8.842 8.842 8.806 0.036 19397
835 1 6 . 1 1 43 43 LEU N N 43 126.600 126.600 122.992 3.608 19397
836 1 6 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.693 0.757 19397
837 1 6 . 1 1 43 43 LEU H H 43 9.208 9.208 7.919 1.289 19397
838 1 6 . 1 1 44 44 LEU N N 44 120.515 120.515 121.582 -1.067 19397
839 1 6 . 1 1 44 44 LEU HA H 44 5.178 5.178 4.943 0.235 19397
840 1 6 . 1 1 44 44 LEU H H 44 9.107 9.107 8.530 0.577 19397
841 1 6 . 1 1 45 45 LEU N N 45 124.199 124.199 123.063 1.136 19397
842 1 6 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.724 -0.018 19397
843 1 6 . 1 1 45 45 LEU H H 45 8.551 8.551 8.499 0.052 19397
844 1 6 . 1 1 48 48 LYS N N 48 124.618 124.618 118.412 6.206 19397
845 1 6 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.682 -0.343 19397
846 1 6 . 1 1 48 48 LYS H H 48 7.982 7.982 7.252 0.730 19397
847 1 6 . 1 1 49 49 ILE N N 49 126.507 126.507 121.094 5.413 19397
848 1 6 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.589 -0.571 19397
849 1 6 . 1 1 49 49 ILE H H 49 8.399 8.399 8.577 -0.178 19397
850 1 6 . 1 1 50 50 LEU N N 50 128.139 128.139 128.504 -0.365 19397
851 1 6 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.498 -0.372 19397
852 1 6 . 1 1 50 50 LEU H H 50 8.652 8.652 8.061 0.591 19397
853 1 6 . 1 1 51 51 LYS N N 51 123.009 123.009 121.710 1.299 19397
854 1 6 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.557 0.157 19397
855 1 6 . 1 1 51 51 LYS H H 51 8.132 8.132 8.510 -0.378 19397
856 1 6 . 1 1 56 56 LEU N N 56 123.359 123.359 118.354 5.005 19397
857 1 6 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.715 -0.527 19397
858 1 6 . 1 1 56 56 LEU H H 56 8.627 8.627 7.873 0.754 19397
859 1 6 . 1 1 57 57 SER N N 57 113.706 113.706 115.324 -1.618 19397
860 1 6 . 1 1 57 57 SER HA H 57 4.265 4.265 4.466 -0.201 19397
861 1 6 . 1 1 57 57 SER H H 57 8.719 8.719 8.566 0.153 19397
862 1 6 . 1 1 59 59 TYR N N 59 120.883 120.883 121.277 -0.394 19397
863 1 6 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.727 -0.191 19397
864 1 6 . 1 1 59 59 TYR H H 59 7.737 7.737 7.661 0.076 19397
865 1 6 . 1 1 61 61 ILE N N 61 117.591 117.591 120.493 -2.902 19397
866 1 6 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.619 -0.520 19397
867 1 6 . 1 1 61 61 ILE H H 61 6.997 6.997 7.776 -0.779 19397
868 1 6 . 1 1 64 64 GLU N N 64 126.670 126.670 120.853 5.817 19397
869 1 6 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.218 0.341 19397
870 1 6 . 1 1 64 64 GLU H H 64 8.132 8.132 8.556 -0.424 19397
871 1 6 . 1 1 67 67 ILE N N 67 121.803 121.803 116.968 4.835 19397
872 1 6 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.414 0.083 19397
873 1 6 . 1 1 67 67 ILE H H 67 8.488 8.488 8.213 0.275 19397
874 1 6 . 1 1 68 68 HIS N N 68 124.455 124.455 124.635 -0.180 19397
875 1 6 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.606 -0.475 19397
876 1 6 . 1 1 68 68 HIS H H 68 8.425 8.425 8.523 -0.098 19397
877 1 6 . 1 1 69 69 LEU N N 69 122.823 122.823 125.564 -2.741 19397
878 1 6 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.094 0.223 19397
879 1 6 . 1 1 69 69 LEU H H 69 9.322 9.322 9.145 0.177 19397
880 1 6 . 1 1 70 70 THR N N 70 118.743 118.743 112.427 6.316 19397
881 1 6 . 1 1 70 70 THR HA H 70 5.009 5.009 4.803 0.206 19397
882 1 6 . 1 1 70 70 THR H H 70 9.107 9.107 8.398 0.709 19397
883 1 6 . 1 1 71 71 LEU N N 71 126.880 126.880 123.490 3.390 19397
884 1 6 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.852 0.511 19397
885 1 6 . 1 1 71 71 LEU H H 71 8.829 8.829 8.579 0.250 19397
886 1 6 . 1 1 72 72 LYS N N 72 128.792 128.792 122.266 6.526 19397
887 1 6 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.720 -0.037 19397
888 1 6 . 1 1 72 72 LYS H H 72 9.570 9.570 8.922 0.648 19397
889 1 6 . 1 1 73 73 VAL N N 73 120.771 120.771 122.534 -1.763 19397
890 1 6 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.840 -0.033 19397
891 1 6 . 1 1 73 73 VAL H H 73 8.488 8.488 8.670 -0.182 19397
892 1 6 . 1 1 74 74 VAL N N 74 127.859 127.859 122.438 5.421 19397
893 1 6 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.616 -0.660 19397
894 1 6 . 1 1 74 74 VAL H H 74 8.715 8.715 8.471 0.244 19397
895 1 7 . 1 1 2 2 CYS N N 2 123.896 123.896 117.183 6.713 19397
896 1 7 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.904 -0.261 19397
897 1 7 . 1 1 2 2 CYS H H 2 8.271 8.271 8.478 -0.207 19397
898 1 7 . 1 1 3 3 VAL N N 3 128.209 128.209 116.035 12.174 19397
899 1 7 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.752 -0.527 19397
900 1 7 . 1 1 3 3 VAL H H 3 8.930 8.930 7.985 0.945 19397
901 1 7 . 1 1 4 4 HIS N N 4 126.227 126.227 120.213 6.014 19397
902 1 7 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.997 0.367 19397
903 1 7 . 1 1 4 4 HIS H H 4 8.723 8.723 8.379 0.344 19397
904 1 7 . 1 1 5 5 VAL N N 5 122.706 122.706 116.155 6.551 19397
905 1 7 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.371 -0.735 19397
906 1 7 . 1 1 5 5 VAL H H 5 9.400 9.400 8.412 0.988 19397
907 1 7 . 1 1 6 6 ARG N N 6 130.121 130.121 124.707 5.414 19397
908 1 7 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.786 0.206 19397
909 1 7 . 1 1 6 6 ARG H H 6 8.874 8.874 8.622 0.252 19397
910 1 7 . 1 1 7 7 SER N N 7 117.297 117.297 115.344 1.953 19397
911 1 7 . 1 1 7 7 SER HA H 7 5.085 5.085 4.363 0.722 19397
912 1 7 . 1 1 7 7 SER H H 7 8.936 8.936 8.406 0.530 19397
913 1 7 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.807 -0.062 19397
914 1 7 . 1 1 10 10 TRP H H 10 7.235 7.235 8.584 -1.349 19397
915 1 7 . 1 1 11 11 ASP N N 11 117.787 117.787 118.800 -1.013 19397
916 1 7 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.849 -0.058 19397
917 1 7 . 1 1 11 11 ASP H H 11 7.665 7.665 7.873 -0.208 19397
918 1 7 . 1 1 13 13 MET N N 13 122.940 122.940 117.363 5.577 19397
919 1 7 . 1 1 13 13 MET HA H 13 4.858 4.858 4.861 -0.003 19397
920 1 7 . 1 1 13 13 MET H H 13 8.827 8.827 8.542 0.285 19397
921 1 7 . 1 1 14 14 THR N N 14 121.214 121.214 114.073 7.141 19397
922 1 7 . 1 1 14 14 THR HA H 14 5.262 5.262 4.510 0.752 19397
923 1 7 . 1 1 14 14 THR H H 14 8.273 8.273 8.221 0.052 19397
924 1 7 . 1 1 16 16 ASP N N 16 122.962 122.962 126.414 -3.452 19397
925 1 7 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.681 -0.060 19397
926 1 7 . 1 1 16 16 ASP H H 16 8.719 8.719 7.872 0.847 19397
927 1 7 . 1 1 17 17 ALA N N 17 118.368 118.368 122.183 -3.815 19397
928 1 7 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.483 0.648 19397
929 1 7 . 1 1 17 17 ALA H H 17 8.670 8.670 8.351 0.319 19397
930 1 7 . 1 1 18 18 ASN N N 18 123.103 123.103 120.461 2.642 19397
931 1 7 . 1 1 20 20 TYR N N 20 128.229 128.229 125.344 2.885 19397
932 1 7 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.236 0.352 19397
933 1 7 . 1 1 20 20 TYR H H 20 7.004 7.004 8.752 -1.748 19397
934 1 7 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.824 -0.153 19397
935 1 7 . 1 1 21 21 ASP H H 21 7.590 7.590 8.228 -0.638 19397
936 1 7 . 1 1 23 23 VAL N N 23 123.649 123.649 122.730 0.919 19397
937 1 7 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.986 -0.571 19397
938 1 7 . 1 1 23 23 VAL H H 23 8.753 8.753 8.086 0.667 19397
939 1 7 . 1 1 25 25 LYS N N 25 119.120 119.120 119.768 -0.648 19397
940 1 7 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.098 -0.227 19397
941 1 7 . 1 1 25 25 LYS H H 25 7.760 7.760 7.424 0.336 19397
942 1 7 . 1 1 26 26 ILE N N 26 117.483 117.483 120.014 -2.531 19397
943 1 7 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.846 -0.338 19397
944 1 7 . 1 1 26 26 ILE H H 26 7.324 7.324 7.565 -0.241 19397
945 1 7 . 1 1 27 27 LYS N N 27 119.349 119.349 119.357 -0.008 19397
946 1 7 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.075 0.325 19397
947 1 7 . 1 1 27 27 LYS H H 27 7.665 7.665 8.227 -0.562 19397
948 1 7 . 1 1 28 28 GLU N N 28 121.785 121.785 117.672 4.113 19397
949 1 7 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.117 -0.347 19397
950 1 7 . 1 1 28 28 GLU H H 28 8.379 8.379 7.769 0.610 19397
951 1 7 . 1 1 29 29 HIS N N 29 122.422 122.422 115.645 6.777 19397
952 1 7 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.386 -0.183 19397
953 1 7 . 1 1 29 29 HIS H H 29 7.590 7.590 7.633 -0.043 19397
954 1 7 . 1 1 30 30 VAL N N 30 121.437 121.437 116.889 4.548 19397
955 1 7 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.994 -0.517 19397
956 1 7 . 1 1 30 30 VAL H H 30 8.412 8.412 7.284 1.128 19397
957 1 7 . 1 1 32 32 SER N N 32 121.037 121.037 118.219 2.818 19397
958 1 7 . 1 1 33 33 LYS N N 33 125.831 125.831 117.887 7.944 19397
959 1 7 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.443 -0.686 19397
960 1 7 . 1 1 33 33 LYS H H 33 8.918 8.918 7.532 1.386 19397
961 1 7 . 1 1 34 34 THR N N 34 116.691 116.691 113.378 3.313 19397
962 1 7 . 1 1 34 34 THR HA H 34 4.111 4.111 4.018 0.093 19397
963 1 7 . 1 1 34 34 THR H H 34 7.961 7.961 7.527 0.434 19397
964 1 7 . 1 1 35 35 LYS N N 35 117.623 117.623 120.184 -2.561 19397
965 1 7 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.184 0.168 19397
966 1 7 . 1 1 35 35 LYS H H 35 7.064 7.064 7.994 -0.930 19397
967 1 7 . 1 1 36 36 VAL N N 36 125.248 125.248 121.732 3.516 19397
968 1 7 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.350 -0.580 19397
969 1 7 . 1 1 36 36 VAL H H 36 7.918 7.918 7.645 0.273 19397
970 1 7 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.892 0.186 19397
971 1 7 . 1 1 38 38 VAL H H 38 8.409 8.409 7.956 0.453 19397
972 1 7 . 1 1 39 39 GLN N N 39 115.805 115.805 126.527 -10.722 19397
973 1 7 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.215 -0.053 19397
974 1 7 . 1 1 39 39 GLN H H 39 8.793 8.793 8.664 0.129 19397
975 1 7 . 1 1 40 40 ASP N N 40 120.069 120.069 115.135 4.934 19397
976 1 7 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.932 -0.163 19397
977 1 7 . 1 1 40 40 ASP H H 40 7.590 7.590 8.362 -0.772 19397
978 1 7 . 1 1 41 41 GLN N N 41 117.974 117.974 119.180 -1.206 19397
979 1 7 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.515 -0.062 19397
980 1 7 . 1 1 41 41 GLN H H 41 7.046 7.046 7.784 -0.738 19397
981 1 7 . 1 1 42 42 VAL N N 42 123.686 123.686 120.810 2.876 19397
982 1 7 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.583 -0.408 19397
983 1 7 . 1 1 42 42 VAL H H 42 8.842 8.842 8.345 0.497 19397
984 1 7 . 1 1 43 43 LEU N N 43 126.600 126.600 123.043 3.557 19397
985 1 7 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.708 0.742 19397
986 1 7 . 1 1 43 43 LEU H H 43 9.208 9.208 7.973 1.235 19397
987 1 7 . 1 1 44 44 LEU N N 44 120.515 120.515 121.069 -0.554 19397
988 1 7 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.078 0.100 19397
989 1 7 . 1 1 44 44 LEU H H 44 9.107 9.107 8.351 0.756 19397
990 1 7 . 1 1 45 45 LEU N N 45 124.199 124.199 121.967 2.232 19397
991 1 7 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.716 -0.010 19397
992 1 7 . 1 1 45 45 LEU H H 45 8.551 8.551 7.984 0.568 19397
993 1 7 . 1 1 48 48 LYS N N 48 124.618 124.618 120.577 4.041 19397
994 1 7 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.696 -0.357 19397
995 1 7 . 1 1 48 48 LYS H H 48 7.982 7.982 7.568 0.414 19397
996 1 7 . 1 1 49 49 ILE N N 49 126.507 126.507 120.819 5.688 19397
997 1 7 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.667 -0.649 19397
998 1 7 . 1 1 49 49 ILE H H 49 8.399 8.399 8.409 -0.010 19397
999 1 7 . 1 1 50 50 LEU N N 50 128.139 128.139 128.050 0.089 19397
1000 1 7 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.561 -0.435 19397
1001 1 7 . 1 1 50 50 LEU H H 50 8.652 8.652 8.572 0.080 19397
1002 1 7 . 1 1 51 51 LYS N N 51 123.009 123.009 126.653 -3.644 19397
1003 1 7 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.485 0.229 19397
1004 1 7 . 1 1 51 51 LYS H H 51 8.132 8.132 8.501 -0.369 19397
1005 1 7 . 1 1 56 56 LEU N N 56 123.359 123.359 117.905 5.454 19397
1006 1 7 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.592 -0.404 19397
1007 1 7 . 1 1 56 56 LEU H H 56 8.627 8.627 7.801 0.826 19397
1008 1 7 . 1 1 57 57 SER N N 57 113.706 113.706 116.376 -2.670 19397
1009 1 7 . 1 1 57 57 SER HA H 57 4.265 4.265 4.254 0.011 19397
1010 1 7 . 1 1 57 57 SER H H 57 8.719 8.719 7.847 0.872 19397
1011 1 7 . 1 1 59 59 TYR N N 59 120.883 120.883 119.651 1.232 19397
1012 1 7 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.604 -0.068 19397
1013 1 7 . 1 1 59 59 TYR H H 59 7.737 7.737 7.908 -0.171 19397
1014 1 7 . 1 1 61 61 ILE N N 61 117.591 117.591 117.400 0.191 19397
1015 1 7 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.605 -0.506 19397
1016 1 7 . 1 1 61 61 ILE H H 61 6.997 6.997 7.781 -0.784 19397
1017 1 7 . 1 1 64 64 GLU N N 64 126.670 126.670 120.272 6.398 19397
1018 1 7 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.204 0.355 19397
1019 1 7 . 1 1 64 64 GLU H H 64 8.132 8.132 8.462 -0.330 19397
1020 1 7 . 1 1 67 67 ILE N N 67 121.803 121.803 121.218 0.585 19397
1021 1 7 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.387 0.110 19397
1022 1 7 . 1 1 67 67 ILE H H 67 8.488 8.488 8.366 0.122 19397
1023 1 7 . 1 1 68 68 HIS N N 68 124.455 124.455 124.156 0.299 19397
1024 1 7 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.516 -0.385 19397
1025 1 7 . 1 1 68 68 HIS H H 68 8.425 8.425 8.480 -0.055 19397
1026 1 7 . 1 1 69 69 LEU N N 69 122.823 122.823 125.182 -2.359 19397
1027 1 7 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.086 0.231 19397
1028 1 7 . 1 1 69 69 LEU H H 69 9.322 9.322 9.154 0.168 19397
1029 1 7 . 1 1 70 70 THR N N 70 118.743 118.743 111.266 7.477 19397
1030 1 7 . 1 1 70 70 THR HA H 70 5.009 5.009 4.745 0.264 19397
1031 1 7 . 1 1 70 70 THR H H 70 9.107 9.107 8.185 0.922 19397
1032 1 7 . 1 1 71 71 LEU N N 71 126.880 126.880 121.117 5.763 19397
1033 1 7 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.662 0.701 19397
1034 1 7 . 1 1 71 71 LEU H H 71 8.829 8.829 8.446 0.383 19397
1035 1 7 . 1 1 72 72 LYS N N 72 128.792 128.792 123.354 5.438 19397
1036 1 7 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.707 -0.024 19397
1037 1 7 . 1 1 72 72 LYS H H 72 9.570 9.570 8.832 0.738 19397
1038 1 7 . 1 1 73 73 VAL N N 73 120.771 120.771 124.970 -4.199 19397
1039 1 7 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.641 0.166 19397
1040 1 7 . 1 1 73 73 VAL H H 73 8.488 8.488 8.593 -0.105 19397
1041 1 7 . 1 1 74 74 VAL N N 74 127.859 127.859 125.348 2.511 19397
1042 1 7 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.499 -0.543 19397
1043 1 7 . 1 1 74 74 VAL H H 74 8.715 8.715 8.446 0.269 19397
1044 1 8 . 1 1 2 2 CYS N N 2 123.896 123.896 116.960 6.936 19397
1045 1 8 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.905 -0.262 19397
1046 1 8 . 1 1 2 2 CYS H H 2 8.271 8.271 8.457 -0.186 19397
1047 1 8 . 1 1 3 3 VAL N N 3 128.209 128.209 115.130 13.079 19397
1048 1 8 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.731 -0.506 19397
1049 1 8 . 1 1 3 3 VAL H H 3 8.930 8.930 7.880 1.050 19397
1050 1 8 . 1 1 4 4 HIS N N 4 126.227 126.227 119.809 6.418 19397
1051 1 8 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.999 0.365 19397
1052 1 8 . 1 1 4 4 HIS H H 4 8.723 8.723 8.349 0.374 19397
1053 1 8 . 1 1 5 5 VAL N N 5 122.706 122.706 115.292 7.414 19397
1054 1 8 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.134 -0.498 19397
1055 1 8 . 1 1 5 5 VAL H H 5 9.400 9.400 8.473 0.927 19397
1056 1 8 . 1 1 6 6 ARG N N 6 130.121 130.121 125.103 5.018 19397
1057 1 8 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.758 0.234 19397
1058 1 8 . 1 1 6 6 ARG H H 6 8.874 8.874 8.556 0.318 19397
1059 1 8 . 1 1 7 7 SER N N 7 117.297 117.297 114.676 2.621 19397
1060 1 8 . 1 1 7 7 SER HA H 7 5.085 5.085 4.269 0.816 19397
1061 1 8 . 1 1 7 7 SER H H 7 8.936 8.936 8.671 0.265 19397
1062 1 8 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.023 -0.278 19397
1063 1 8 . 1 1 10 10 TRP H H 10 7.235 7.235 7.923 -0.688 19397
1064 1 8 . 1 1 11 11 ASP N N 11 117.787 117.787 119.680 -1.893 19397
1065 1 8 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.825 -0.034 19397
1066 1 8 . 1 1 11 11 ASP H H 11 7.665 7.665 7.444 0.221 19397
1067 1 8 . 1 1 13 13 MET N N 13 122.940 122.940 119.740 3.200 19397
1068 1 8 . 1 1 13 13 MET HA H 13 4.858 4.858 4.895 -0.037 19397
1069 1 8 . 1 1 13 13 MET H H 13 8.827 8.827 8.830 -0.003 19397
1070 1 8 . 1 1 14 14 THR N N 14 121.214 121.214 113.231 7.983 19397
1071 1 8 . 1 1 14 14 THR HA H 14 5.262 5.262 4.614 0.648 19397
1072 1 8 . 1 1 14 14 THR H H 14 8.273 8.273 8.052 0.221 19397
1073 1 8 . 1 1 16 16 ASP N N 16 122.962 122.962 126.769 -3.807 19397
1074 1 8 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.857 -0.236 19397
1075 1 8 . 1 1 16 16 ASP H H 16 8.719 8.719 8.078 0.641 19397
1076 1 8 . 1 1 17 17 ALA N N 17 118.368 118.368 124.054 -5.686 19397
1077 1 8 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.623 0.508 19397
1078 1 8 . 1 1 17 17 ALA H H 17 8.670 8.670 8.425 0.245 19397
1079 1 8 . 1 1 18 18 ASN N N 18 123.103 123.103 120.367 2.736 19397
1080 1 8 . 1 1 20 20 TYR N N 20 128.229 128.229 124.054 4.175 19397
1081 1 8 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.568 0.020 19397
1082 1 8 . 1 1 20 20 TYR H H 20 7.004 7.004 8.411 -1.407 19397
1083 1 8 . 1 1 21 21 ASP HA H 21 4.671 4.671 5.000 -0.329 19397
1084 1 8 . 1 1 21 21 ASP H H 21 7.590 7.590 8.076 -0.486 19397
1085 1 8 . 1 1 23 23 VAL N N 23 123.649 123.649 119.442 4.207 19397
1086 1 8 . 1 1 23 23 VAL HA H 23 3.415 3.415 4.052 -0.637 19397
1087 1 8 . 1 1 23 23 VAL H H 23 8.753 8.753 7.868 0.885 19397
1088 1 8 . 1 1 25 25 LYS N N 25 119.120 119.120 119.554 -0.434 19397
1089 1 8 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.024 -0.153 19397
1090 1 8 . 1 1 25 25 LYS H H 25 7.760 7.760 7.427 0.333 19397
1091 1 8 . 1 1 26 26 ILE N N 26 117.483 117.483 119.472 -1.989 19397
1092 1 8 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.940 -0.432 19397
1093 1 8 . 1 1 26 26 ILE H H 26 7.324 7.324 7.746 -0.422 19397
1094 1 8 . 1 1 27 27 LYS N N 27 119.349 119.349 119.639 -0.290 19397
1095 1 8 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.078 0.322 19397
1096 1 8 . 1 1 27 27 LYS H H 27 7.665 7.665 8.204 -0.539 19397
1097 1 8 . 1 1 28 28 GLU N N 28 121.785 121.785 117.767 4.018 19397
1098 1 8 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.096 -0.326 19397
1099 1 8 . 1 1 28 28 GLU H H 28 8.379 8.379 7.997 0.382 19397
1100 1 8 . 1 1 29 29 HIS N N 29 122.422 122.422 116.936 5.486 19397
1101 1 8 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.377 -0.174 19397
1102 1 8 . 1 1 29 29 HIS H H 29 7.590 7.590 7.635 -0.045 19397
1103 1 8 . 1 1 30 30 VAL N N 30 121.437 121.437 115.546 5.891 19397
1104 1 8 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.873 -0.396 19397
1105 1 8 . 1 1 30 30 VAL H H 30 8.412 8.412 7.151 1.261 19397
1106 1 8 . 1 1 32 32 SER N N 32 121.037 121.037 119.724 1.313 19397
1107 1 8 . 1 1 33 33 LYS N N 33 125.831 125.831 117.160 8.671 19397
1108 1 8 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.441 -0.684 19397
1109 1 8 . 1 1 33 33 LYS H H 33 8.918 8.918 7.425 1.493 19397
1110 1 8 . 1 1 34 34 THR N N 34 116.691 116.691 114.104 2.587 19397
1111 1 8 . 1 1 34 34 THR HA H 34 4.111 4.111 4.083 0.028 19397
1112 1 8 . 1 1 34 34 THR H H 34 7.961 7.961 7.479 0.482 19397
1113 1 8 . 1 1 35 35 LYS N N 35 117.623 117.623 119.993 -2.370 19397
1114 1 8 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.240 0.112 19397
1115 1 8 . 1 1 35 35 LYS H H 35 7.064 7.064 8.064 -1.000 19397
1116 1 8 . 1 1 36 36 VAL N N 36 125.248 125.248 121.277 3.971 19397
1117 1 8 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.410 -0.640 19397
1118 1 8 . 1 1 36 36 VAL H H 36 7.918 7.918 7.690 0.228 19397
1119 1 8 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.956 0.122 19397
1120 1 8 . 1 1 38 38 VAL H H 38 8.409 8.409 7.789 0.620 19397
1121 1 8 . 1 1 39 39 GLN N N 39 115.805 115.805 123.994 -8.189 19397
1122 1 8 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.210 -0.048 19397
1123 1 8 . 1 1 39 39 GLN H H 39 8.793 8.793 8.565 0.228 19397
1124 1 8 . 1 1 40 40 ASP N N 40 120.069 120.069 114.394 5.675 19397
1125 1 8 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.832 -0.063 19397
1126 1 8 . 1 1 40 40 ASP H H 40 7.590 7.590 8.305 -0.715 19397
1127 1 8 . 1 1 41 41 GLN N N 41 117.974 117.974 118.930 -0.956 19397
1128 1 8 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.536 -0.083 19397
1129 1 8 . 1 1 41 41 GLN H H 41 7.046 7.046 7.755 -0.709 19397
1130 1 8 . 1 1 42 42 VAL N N 42 123.686 123.686 119.864 3.822 19397
1131 1 8 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.612 -0.437 19397
1132 1 8 . 1 1 42 42 VAL H H 42 8.842 8.842 8.316 0.526 19397
1133 1 8 . 1 1 43 43 LEU N N 43 126.600 126.600 121.748 4.852 19397
1134 1 8 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.753 0.697 19397
1135 1 8 . 1 1 43 43 LEU H H 43 9.208 9.208 7.809 1.399 19397
1136 1 8 . 1 1 44 44 LEU N N 44 120.515 120.515 121.982 -1.467 19397
1137 1 8 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.174 0.004 19397
1138 1 8 . 1 1 44 44 LEU H H 44 9.107 9.107 8.824 0.283 19397
1139 1 8 . 1 1 45 45 LEU N N 45 124.199 124.199 123.799 0.400 19397
1140 1 8 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.509 0.197 19397
1141 1 8 . 1 1 45 45 LEU H H 45 8.551 8.551 8.750 -0.199 19397
1142 1 8 . 1 1 48 48 LYS N N 48 124.618 124.618 116.788 7.830 19397
1143 1 8 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.647 -0.308 19397
1144 1 8 . 1 1 48 48 LYS H H 48 7.982 7.982 7.156 0.826 19397
1145 1 8 . 1 1 49 49 ILE N N 49 126.507 126.507 120.399 6.108 19397
1146 1 8 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.755 -0.737 19397
1147 1 8 . 1 1 49 49 ILE H H 49 8.399 8.399 8.415 -0.016 19397
1148 1 8 . 1 1 50 50 LEU N N 50 128.139 128.139 127.024 1.115 19397
1149 1 8 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.489 -0.363 19397
1150 1 8 . 1 1 50 50 LEU H H 50 8.652 8.652 8.591 0.061 19397
1151 1 8 . 1 1 51 51 LYS N N 51 123.009 123.009 124.008 -0.999 19397
1152 1 8 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.513 0.201 19397
1153 1 8 . 1 1 51 51 LYS H H 51 8.132 8.132 8.570 -0.438 19397
1154 1 8 . 1 1 56 56 LEU N N 56 123.359 123.359 119.862 3.497 19397
1155 1 8 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.452 -0.264 19397
1156 1 8 . 1 1 56 56 LEU H H 56 8.627 8.627 8.106 0.521 19397
1157 1 8 . 1 1 57 57 SER N N 57 113.706 113.706 114.098 -0.392 19397
1158 1 8 . 1 1 57 57 SER HA H 57 4.265 4.265 4.118 0.147 19397
1159 1 8 . 1 1 57 57 SER H H 57 8.719 8.719 8.413 0.306 19397
1160 1 8 . 1 1 59 59 TYR N N 59 120.883 120.883 119.475 1.408 19397
1161 1 8 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.699 -0.163 19397
1162 1 8 . 1 1 59 59 TYR H H 59 7.737 7.737 7.953 -0.216 19397
1163 1 8 . 1 1 61 61 ILE N N 61 117.591 117.591 121.165 -3.574 19397
1164 1 8 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.517 -0.418 19397
1165 1 8 . 1 1 61 61 ILE H H 61 6.997 6.997 8.354 -1.357 19397
1166 1 8 . 1 1 64 64 GLU N N 64 126.670 126.670 120.273 6.397 19397
1167 1 8 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.196 0.363 19397
1168 1 8 . 1 1 64 64 GLU H H 64 8.132 8.132 8.489 -0.357 19397
1169 1 8 . 1 1 67 67 ILE N N 67 121.803 121.803 119.775 2.028 19397
1170 1 8 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.530 -0.033 19397
1171 1 8 . 1 1 67 67 ILE H H 67 8.488 8.488 8.639 -0.151 19397
1172 1 8 . 1 1 68 68 HIS N N 68 124.455 124.455 122.429 2.026 19397
1173 1 8 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.282 -0.151 19397
1174 1 8 . 1 1 68 68 HIS H H 68 8.425 8.425 8.463 -0.038 19397
1175 1 8 . 1 1 69 69 LEU N N 69 122.823 122.823 125.336 -2.513 19397
1176 1 8 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.107 0.210 19397
1177 1 8 . 1 1 69 69 LEU H H 69 9.322 9.322 9.101 0.221 19397
1178 1 8 . 1 1 70 70 THR N N 70 118.743 118.743 111.810 6.933 19397
1179 1 8 . 1 1 70 70 THR HA H 70 5.009 5.009 4.661 0.348 19397
1180 1 8 . 1 1 70 70 THR H H 70 9.107 9.107 8.174 0.933 19397
1181 1 8 . 1 1 71 71 LEU N N 71 126.880 126.880 125.017 1.863 19397
1182 1 8 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.778 0.585 19397
1183 1 8 . 1 1 71 71 LEU H H 71 8.829 8.829 8.200 0.629 19397
1184 1 8 . 1 1 72 72 LYS N N 72 128.792 128.792 125.653 3.139 19397
1185 1 8 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.673 0.010 19397
1186 1 8 . 1 1 72 72 LYS H H 72 9.570 9.570 8.637 0.933 19397
1187 1 8 . 1 1 73 73 VAL N N 73 120.771 120.771 124.316 -3.545 19397
1188 1 8 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.605 0.202 19397
1189 1 8 . 1 1 73 73 VAL H H 73 8.488 8.488 8.458 0.030 19397
1190 1 8 . 1 1 74 74 VAL N N 74 127.859 127.859 121.583 6.276 19397
1191 1 8 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.556 -0.600 19397
1192 1 8 . 1 1 74 74 VAL H H 74 8.715 8.715 8.169 0.546 19397
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 49 5.016 -3.020 4.046 19397
2 1 1 "Average Difference" HA 50 0.397 0.048 0.398 19397
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19397
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19397
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19397
6 1 1 "Average Difference" HN 50 0.636 -0.155 0.623 19397
7 1 2 "Average Difference" N 49 4.692 -2.569 3.967 19397
8 1 2 "Average Difference" HA 50 0.370 0.083 0.364 19397
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19397
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19397
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19397
12 1 2 "Average Difference" HN 50 0.654 -0.191 0.632 19397
13 1 3 "Average Difference" N 49 4.948 -2.587 4.262 19397
14 1 3 "Average Difference" HA 50 0.377 0.056 0.376 19397
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19397
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19397
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19397
18 1 3 "Average Difference" HN 50 0.663 -0.216 0.633 19397
19 1 4 "Average Difference" N 49 4.808 -2.537 4.127 19397
20 1 4 "Average Difference" HA 50 0.384 0.067 0.382 19397
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19397
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19397
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19397
24 1 4 "Average Difference" HN 50 0.636 -0.191 0.613 19397
25 1 5 "Average Difference" N 49 4.919 -2.631 4.199 19397
26 1 5 "Average Difference" HA 50 0.408 0.056 0.408 19397
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19397
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19397
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19397
30 1 5 "Average Difference" HN 50 0.611 -0.172 0.592 19397
31 1 6 "Average Difference" N 49 4.683 -2.573 3.954 19397
32 1 6 "Average Difference" HA 50 0.412 0.067 0.410 19397
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19397
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19397
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19397
36 1 6 "Average Difference" HN 50 0.664 -0.139 0.656 19397
37 1 7 "Average Difference" N 49 4.694 -2.253 4.160 19397
38 1 7 "Average Difference" HA 50 0.396 0.053 0.396 19397
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19397
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19397
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19397
42 1 7 "Average Difference" HN 50 0.670 -0.171 0.654 19397
43 1 8 "Average Difference" N 49 4.828 -2.469 4.191 19397
44 1 8 "Average Difference" HA 50 0.379 0.063 0.377 19397
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19397
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19397
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19397
48 1 8 "Average Difference" HN 50 0.660 -0.168 0.644 19397
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 19397
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 CYS N N 2 123.896 123.896 116.835 7.060 19397
2 1 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.896 -0.254 19397
3 1 . 1 1 2 2 CYS H H 2 8.271 8.271 8.472 -0.201 19397
4 1 . 1 1 3 3 VAL N N 3 128.209 128.209 116.504 11.705 19397
5 1 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.610 -0.385 19397
6 1 . 1 1 3 3 VAL H H 3 8.930 8.930 7.911 1.019 19397
7 1 . 1 1 4 4 HIS N N 4 126.227 126.227 120.395 5.832 19397
8 1 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.016 0.348 19397
9 1 . 1 1 4 4 HIS H H 4 8.723 8.723 8.467 0.256 19397
10 1 . 1 1 5 5 VAL N N 5 122.706 122.706 116.410 6.296 19397
11 1 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.126 -0.490 19397
12 1 . 1 1 5 5 VAL H H 5 9.400 9.400 8.460 0.940 19397
13 1 . 1 1 6 6 ARG N N 6 130.121 130.121 124.458 5.663 19397
14 1 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.756 0.236 19397
15 1 . 1 1 6 6 ARG H H 6 8.874 8.874 8.335 0.539 19397
16 1 . 1 1 7 7 SER N N 7 117.297 117.297 115.277 2.020 19397
17 1 . 1 1 7 7 SER HA H 7 5.085 5.085 4.307 0.778 19397
18 1 . 1 1 7 7 SER H H 7 8.936 8.936 8.467 0.469 19397
19 1 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.925 -0.180 19397
20 1 . 1 1 10 10 TRP H H 10 7.235 7.235 8.286 -1.051 19397
21 1 . 1 1 11 11 ASP N N 11 117.787 117.787 119.077 -1.290 19397
22 1 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.829 -0.038 19397
23 1 . 1 1 11 11 ASP H H 11 7.665 7.665 7.643 0.023 19397
24 1 . 1 1 13 13 MET N N 13 122.940 122.940 117.588 5.352 19397
25 1 . 1 1 13 13 MET HA H 13 4.858 4.858 4.857 0.001 19397
26 1 . 1 1 13 13 MET H H 13 8.827 8.827 8.528 0.299 19397
27 1 . 1 1 14 14 THR N N 14 121.214 121.214 114.518 6.696 19397
28 1 . 1 1 14 14 THR HA H 14 5.262 5.262 4.537 0.725 19397
29 1 . 1 1 14 14 THR H H 14 8.273 8.273 8.150 0.123 19397
30 1 . 1 1 16 16 ASP N N 16 122.962 122.962 126.436 -3.474 19397
31 1 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.740 -0.119 19397
32 1 . 1 1 16 16 ASP H H 16 8.719 8.719 8.014 0.705 19397
33 1 . 1 1 17 17 ALA N N 17 118.368 118.368 122.427 -4.059 19397
34 1 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.568 0.563 19397
35 1 . 1 1 17 17 ALA H H 17 8.670 8.670 8.260 0.410 19397
36 1 . 1 1 18 18 ASN N N 18 123.103 123.103 119.549 3.554 19397
37 1 . 1 1 20 20 TYR N N 20 128.229 128.229 123.670 4.559 19397
38 1 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.398 0.190 19397
39 1 . 1 1 20 20 TYR H H 20 7.004 7.004 8.370 -1.366 19397
40 1 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.848 -0.177 19397
41 1 . 1 1 21 21 ASP H H 21 7.590 7.590 8.333 -0.743 19397
42 1 . 1 1 23 23 VAL N N 23 123.649 123.649 120.163 3.486 19397
43 1 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.947 -0.532 19397
44 1 . 1 1 23 23 VAL H H 23 8.753 8.753 7.897 0.856 19397
45 1 . 1 1 25 25 LYS N N 25 119.120 119.120 119.375 -0.255 19397
46 1 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.034 -0.163 19397
47 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.448 0.312 19397
48 1 . 1 1 26 26 ILE N N 26 117.483 117.483 119.761 -2.278 19397
49 1 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.878 -0.370 19397
50 1 . 1 1 26 26 ILE H H 26 7.324 7.324 7.619 -0.295 19397
51 1 . 1 1 27 27 LYS N N 27 119.349 119.349 119.389 -0.040 19397
52 1 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.074 0.326 19397
53 1 . 1 1 27 27 LYS H H 27 7.665 7.665 8.195 -0.530 19397
54 1 . 1 1 28 28 GLU N N 28 121.785 121.785 117.733 4.052 19397
55 1 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.115 -0.345 19397
56 1 . 1 1 28 28 GLU H H 28 8.379 8.379 7.890 0.489 19397
57 1 . 1 1 29 29 HIS N N 29 122.422 122.422 116.122 6.300 19397
58 1 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.400 -0.197 19397
59 1 . 1 1 29 29 HIS H H 29 7.590 7.590 7.638 -0.048 19397
60 1 . 1 1 30 30 VAL N N 30 121.437 121.437 116.205 5.232 19397
61 1 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.991 -0.514 19397
62 1 . 1 1 30 30 VAL H H 30 8.412 8.412 7.290 1.122 19397
63 1 . 1 1 32 32 SER N N 32 121.037 121.037 118.540 2.497 19397
64 1 . 1 1 33 33 LYS N N 33 125.831 125.831 117.329 8.502 19397
65 1 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.500 -0.743 19397
66 1 . 1 1 33 33 LYS H H 33 8.918 8.918 7.968 0.950 19397
67 1 . 1 1 34 34 THR N N 34 116.691 116.691 113.263 3.428 19397
68 1 . 1 1 34 34 THR HA H 34 4.111 4.111 4.084 0.027 19397
69 1 . 1 1 34 34 THR H H 34 7.961 7.961 7.620 0.341 19397
70 1 . 1 1 35 35 LYS N N 35 117.623 117.623 119.830 -2.207 19397
71 1 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.225 0.127 19397
72 1 . 1 1 35 35 LYS H H 35 7.064 7.064 8.066 -1.002 19397
73 1 . 1 1 36 36 VAL N N 36 125.248 125.248 120.807 4.441 19397
74 1 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.348 -0.578 19397
75 1 . 1 1 36 36 VAL H H 36 7.918 7.918 7.571 0.347 19397
76 1 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.068 0.010 19397
77 1 . 1 1 38 38 VAL H H 38 8.409 8.409 7.786 0.623 19397
78 1 . 1 1 39 39 GLN N N 39 115.805 115.805 125.138 -9.333 19397
79 1 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.274 -0.112 19397
80 1 . 1 1 39 39 GLN H H 39 8.793 8.793 8.559 0.234 19397
81 1 . 1 1 40 40 ASP N N 40 120.069 120.069 115.206 4.864 19397
82 1 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.867 -0.098 19397
83 1 . 1 1 40 40 ASP H H 40 7.590 7.590 8.340 -0.750 19397
84 1 . 1 1 41 41 GLN N N 41 117.974 117.974 119.060 -1.086 19397
85 1 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.542 -0.089 19397
86 1 . 1 1 41 41 GLN H H 41 7.046 7.046 7.852 -0.806 19397
87 1 . 1 1 42 42 VAL N N 42 123.686 123.686 120.512 3.174 19397
88 1 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.597 -0.422 19397
89 1 . 1 1 42 42 VAL H H 42 8.842 8.842 8.527 0.315 19397
90 1 . 1 1 43 43 LEU N N 43 126.600 126.600 122.609 3.991 19397
91 1 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.725 0.725 19397
92 1 . 1 1 43 43 LEU H H 43 9.208 9.208 7.993 1.214 19397
93 1 . 1 1 44 44 LEU N N 44 120.515 120.515 121.855 -1.340 19397
94 1 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.131 0.047 19397
95 1 . 1 1 44 44 LEU H H 44 9.107 9.107 8.465 0.642 19397
96 1 . 1 1 45 45 LEU N N 45 124.199 124.199 123.349 0.850 19397
97 1 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.614 0.092 19397
98 1 . 1 1 45 45 LEU H H 45 8.551 8.551 8.476 0.075 19397
99 1 . 1 1 48 48 LYS N N 48 124.618 124.618 118.199 6.419 19397
100 1 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.663 -0.324 19397
101 1 . 1 1 48 48 LYS H H 48 7.982 7.982 7.439 0.543 19397
102 1 . 1 1 49 49 ILE N N 49 126.507 126.507 120.794 5.713 19397
103 1 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.678 -0.660 19397
104 1 . 1 1 49 49 ILE H H 49 8.399 8.399 8.404 -0.005 19397
105 1 . 1 1 50 50 LEU N N 50 128.139 128.139 128.438 -0.299 19397
106 1 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.528 -0.402 19397
107 1 . 1 1 50 50 LEU H H 50 8.652 8.652 8.543 0.109 19397
108 1 . 1 1 51 51 LYS N N 51 123.009 123.009 124.219 -1.210 19397
109 1 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.513 0.201 19397
110 1 . 1 1 51 51 LYS H H 51 8.132 8.132 8.475 -0.343 19397
111 1 . 1 1 56 56 LEU N N 56 123.359 123.359 120.191 3.168 19397
112 1 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.549 -0.361 19397
113 1 . 1 1 56 56 LEU H H 56 8.627 8.627 8.097 0.530 19397
114 1 . 1 1 57 57 SER N N 57 113.706 113.706 114.697 -0.991 19397
115 1 . 1 1 57 57 SER HA H 57 4.265 4.265 4.327 -0.062 19397
116 1 . 1 1 57 57 SER H H 57 8.719 8.719 8.205 0.514 19397
117 1 . 1 1 59 59 TYR N N 59 120.883 120.883 120.037 0.846 19397
118 1 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.594 -0.058 19397
119 1 . 1 1 59 59 TYR H H 59 7.737 7.737 7.984 -0.247 19397
120 1 . 1 1 61 61 ILE N N 61 117.591 117.591 118.618 -1.027 19397
121 1 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.512 -0.413 19397
122 1 . 1 1 61 61 ILE H H 61 6.997 6.997 7.765 -0.768 19397
123 1 . 1 1 64 64 GLU N N 64 126.670 126.670 121.220 5.450 19397
124 1 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.321 0.238 19397
125 1 . 1 1 64 64 GLU H H 64 8.132 8.132 8.477 -0.345 19397
126 1 . 1 1 67 67 ILE N N 67 121.803 121.803 117.562 4.241 19397
127 1 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.479 0.018 19397
128 1 . 1 1 67 67 ILE H H 67 8.488 8.488 8.383 0.105 19397
129 1 . 1 1 68 68 HIS N N 68 124.455 124.455 123.597 0.858 19397
130 1 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.480 -0.349 19397
131 1 . 1 1 68 68 HIS H H 68 8.425 8.425 8.478 -0.053 19397
132 1 . 1 1 69 69 LEU N N 69 122.823 122.823 124.992 -2.169 19397
133 1 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.009 0.308 19397
134 1 . 1 1 69 69 LEU H H 69 9.322 9.322 8.862 0.460 19397
135 1 . 1 1 70 70 THR N N 70 118.743 118.743 111.609 7.134 19397
136 1 . 1 1 70 70 THR HA H 70 5.009 5.009 4.705 0.304 19397
137 1 . 1 1 70 70 THR H H 70 9.107 9.107 8.147 0.960 19397
138 1 . 1 1 71 71 LEU N N 71 126.880 126.880 122.681 4.199 19397
139 1 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.747 0.616 19397
140 1 . 1 1 71 71 LEU H H 71 8.829 8.829 8.247 0.582 19397
141 1 . 1 1 72 72 LYS N N 72 128.792 128.792 122.485 6.307 19397
142 1 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.705 -0.022 19397
143 1 . 1 1 72 72 LYS H H 72 9.570 9.570 8.754 0.816 19397
144 1 . 1 1 73 73 VAL N N 73 120.771 120.771 122.059 -1.288 19397
145 1 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.710 0.097 19397
146 1 . 1 1 73 73 VAL H H 73 8.488 8.488 8.478 0.010 19397
147 1 . 1 1 74 74 VAL N N 74 127.859 127.859 122.986 4.873 19397
148 1 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.553 -0.597 19397
149 1 . 1 1 74 74 VAL H H 74 8.715 8.715 8.319 0.396 19397
stop_
save_