data_25865
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25865
_Entry.PDB_ID 2N8T
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 25865
_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 5 5 GLY CA C 5 45.251 45.251 46.083 -0.832 25865
2 1 1 . 1 1 6 6 LEU N N 6 121.542 121.542 123.500 -1.958 25865
3 1 1 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.652 -0.089 25865
4 1 1 . 1 1 6 6 LEU CA C 6 52.284 52.284 52.636 -0.352 25865
5 1 1 . 1 1 6 6 LEU CB C 6 42.398 42.398 43.273 -0.875 25865
6 1 1 . 1 1 6 6 LEU H H 6 7.983 7.983 8.038 -0.055 25865
7 1 1 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.419 0.339 25865
8 1 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.318 -0.118 25865
9 1 1 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.710 -1.010 25865
10 1 1 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.228 0.244 25865
11 1 1 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.195 -0.153 25865
12 1 1 . 1 1 8 8 PRO CB C 8 31.788 31.788 30.962 0.826 25865
13 1 1 . 1 1 9 9 GLY N N 9 113.830 113.830 111.225 2.605 25865
14 1 1 . 1 1 9 9 GLY CA C 9 45.830 45.830 45.013 0.817 25865
15 1 1 . 1 1 9 9 GLY H H 9 9.018 9.018 8.219 0.799 25865
16 1 1 . 1 1 10 10 TRP N N 10 118.923 118.923 120.910 -1.987 25865
17 1 1 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.672 0.328 25865
18 1 1 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.425 0.867 25865
19 1 1 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.668 1.501 25865
20 1 1 . 1 1 10 10 TRP H H 10 7.694 7.694 7.923 -0.229 25865
21 1 1 . 1 1 11 11 GLU N N 11 121.415 121.415 124.286 -2.871 25865
22 1 1 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.715 0.043 25865
23 1 1 . 1 1 11 11 GLU CA C 11 55.098 55.098 55.224 -0.126 25865
24 1 1 . 1 1 11 11 GLU CB C 11 35.184 35.184 32.765 2.419 25865
25 1 1 . 1 1 11 11 GLU H H 11 9.367 9.367 8.556 0.811 25865
26 1 1 . 1 1 12 12 GLU N N 12 126.940 126.940 127.173 -0.233 25865
27 1 1 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.551 0.114 25865
28 1 1 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.486 -0.541 25865
29 1 1 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.369 1.426 25865
30 1 1 . 1 1 12 12 GLU H H 12 8.873 8.873 8.790 0.083 25865
31 1 1 . 1 1 13 13 LYS N N 13 128.576 128.576 123.463 5.113 25865
32 1 1 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.412 -0.036 25865
33 1 1 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.239 -0.072 25865
34 1 1 . 1 1 13 13 LYS CB C 13 35.960 35.960 35.087 0.873 25865
35 1 1 . 1 1 13 13 LYS H H 13 8.418 8.418 8.153 0.265 25865
36 1 1 . 1 1 14 14 GLN N N 14 116.724 116.724 120.081 -3.357 25865
37 1 1 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.836 0.530 25865
38 1 1 . 1 1 14 14 GLN CA C 14 54.560 54.560 55.155 -0.595 25865
39 1 1 . 1 1 14 14 GLN CB C 14 32.540 32.540 29.956 2.584 25865
40 1 1 . 1 1 14 14 GLN H H 14 7.901 7.901 8.347 -0.446 25865
41 1 1 . 1 1 15 15 ASP N N 15 124.800 124.800 120.627 4.173 25865
42 1 1 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.729 0.126 25865
43 1 1 . 1 1 15 15 ASP CA C 15 52.600 52.600 52.837 -0.237 25865
44 1 1 . 1 1 15 15 ASP CB C 15 40.903 40.903 42.036 -1.133 25865
45 1 1 . 1 1 15 15 ASP H H 15 9.127 9.127 8.437 0.690 25865
46 1 1 . 1 1 16 16 ASP N N 16 117.818 117.818 117.402 0.416 25865
47 1 1 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.413 0.010 25865
48 1 1 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.487 -0.293 25865
49 1 1 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.877 -1.077 25865
50 1 1 . 1 1 16 16 ASP H H 16 8.524 8.524 8.385 0.139 25865
51 1 1 . 1 1 17 17 ARG N N 17 119.990 119.990 118.255 1.735 25865
52 1 1 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.326 0.164 25865
53 1 1 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.714 -0.414 25865
54 1 1 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.209 0.391 25865
55 1 1 . 1 1 17 17 ARG H H 17 8.229 8.229 8.577 -0.348 25865
56 1 1 . 1 1 18 18 GLY N N 18 109.964 109.964 107.041 2.923 25865
57 1 1 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.814 0.616 25865
58 1 1 . 1 1 18 18 GLY H H 18 8.140 8.140 7.653 0.487 25865
59 1 1 . 1 1 19 19 ARG N N 19 124.871 124.871 119.706 5.165 25865
60 1 1 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.582 -0.125 25865
61 1 1 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.320 1.743 25865
62 1 1 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.694 -0.667 25865
63 1 1 . 1 1 19 19 ARG H H 19 8.825 8.825 8.737 0.088 25865
64 1 1 . 1 1 20 20 SER N N 20 122.965 122.965 119.571 3.394 25865
65 1 1 . 1 1 20 20 SER HA H 20 5.245 5.245 4.266 0.979 25865
66 1 1 . 1 1 20 20 SER CA C 20 59.856 59.856 58.470 1.386 25865
67 1 1 . 1 1 20 20 SER CB C 20 64.041 64.041 62.125 1.916 25865
68 1 1 . 1 1 20 20 SER H H 20 8.854 8.854 8.453 0.401 25865
69 1 1 . 1 1 21 21 TYR N N 21 120.834 120.834 123.225 -2.391 25865
70 1 1 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.722 -0.042 25865
71 1 1 . 1 1 21 21 TYR CA C 21 55.689 55.689 55.248 0.441 25865
72 1 1 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.706 0.032 25865
73 1 1 . 1 1 21 21 TYR H H 21 8.840 8.840 8.397 0.443 25865
74 1 1 . 1 1 22 22 TYR N N 22 118.070 118.070 117.042 1.028 25865
75 1 1 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.655 -0.456 25865
76 1 1 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.355 1.230 25865
77 1 1 . 1 1 22 22 TYR CB C 22 40.891 40.891 42.424 -1.533 25865
78 1 1 . 1 1 22 22 TYR H H 22 9.009 9.009 8.621 0.388 25865
79 1 1 . 1 1 23 23 VAL N N 23 124.250 124.250 121.657 2.593 25865
80 1 1 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.556 -0.350 25865
81 1 1 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.471 1.532 25865
82 1 1 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.844 -0.671 25865
83 1 1 . 1 1 23 23 VAL H H 23 9.292 9.292 8.557 0.735 25865
84 1 1 . 1 1 24 24 ASP N N 24 125.668 125.668 129.270 -3.602 25865
85 1 1 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.467 -0.766 25865
86 1 1 . 1 1 24 24 ASP CA C 24 51.144 51.144 52.387 -1.243 25865
87 1 1 . 1 1 24 24 ASP CB C 24 39.002 39.002 42.148 -3.146 25865
88 1 1 . 1 1 24 24 ASP H H 24 8.200 8.200 8.655 -0.455 25865
89 1 1 . 1 1 25 25 HIS N N 25 124.047 124.047 125.663 -1.616 25865
90 1 1 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.509 -0.239 25865
91 1 1 . 1 1 25 25 HIS CA C 25 58.737 58.737 57.741 0.996 25865
92 1 1 . 1 1 25 25 HIS CB C 25 30.261 30.261 29.897 0.364 25865
93 1 1 . 1 1 25 25 HIS H H 25 8.789 8.789 8.930 -0.141 25865
94 1 1 . 1 1 26 26 ASN N N 26 117.400 117.400 117.492 -0.092 25865
95 1 1 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.657 -0.217 25865
96 1 1 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.988 -0.296 25865
97 1 1 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.178 -0.942 25865
98 1 1 . 1 1 26 26 ASN H H 26 8.300 8.300 8.685 -0.385 25865
99 1 1 . 1 1 27 27 SER N N 27 111.903 111.903 114.003 -2.100 25865
100 1 1 . 1 1 27 27 SER HA H 27 4.282 4.282 4.512 -0.230 25865
101 1 1 . 1 1 27 27 SER CA C 27 57.983 57.983 59.086 -1.103 25865
102 1 1 . 1 1 27 27 SER CB C 27 64.052 64.052 64.422 -0.370 25865
103 1 1 . 1 1 27 27 SER H H 27 6.846 6.846 8.674 -1.828 25865
104 1 1 . 1 1 28 28 LYS N N 28 120.494 120.494 118.067 2.427 25865
105 1 1 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.062 0.073 25865
106 1 1 . 1 1 28 28 LYS CA C 28 56.838 56.838 56.945 -0.107 25865
107 1 1 . 1 1 28 28 LYS CB C 28 28.368 28.368 30.224 -1.856 25865
108 1 1 . 1 1 28 28 LYS H H 28 7.710 7.710 7.846 -0.136 25865
109 1 1 . 1 1 29 29 THR N N 29 110.416 110.416 113.712 -3.296 25865
110 1 1 . 1 1 29 29 THR HA H 29 4.680 4.680 4.497 0.183 25865
111 1 1 . 1 1 29 29 THR CA C 29 60.400 60.400 61.328 -0.927 25865
112 1 1 . 1 1 29 29 THR CB C 29 72.000 72.000 71.259 0.741 25865
113 1 1 . 1 1 29 29 THR H H 29 7.247 7.247 8.464 -1.217 25865
114 1 1 . 1 1 30 30 THR N N 30 112.268 112.268 121.460 -9.192 25865
115 1 1 . 1 1 30 30 THR HA H 30 5.457 5.457 4.560 0.897 25865
116 1 1 . 1 1 30 30 THR CA C 30 59.600 59.600 62.873 -3.273 25865
117 1 1 . 1 1 30 30 THR CB C 30 71.800 71.800 69.336 2.464 25865
118 1 1 . 1 1 30 30 THR H H 30 8.117 8.117 8.436 -0.319 25865
119 1 1 . 1 1 31 31 THR N N 31 115.637 115.637 122.052 -6.415 25865
120 1 1 . 1 1 31 31 THR HA H 31 4.758 4.758 4.643 0.115 25865
121 1 1 . 1 1 31 31 THR CA C 31 59.477 59.477 60.773 -1.296 25865
122 1 1 . 1 1 31 31 THR CB C 31 69.375 69.375 70.633 -1.258 25865
123 1 1 . 1 1 31 31 THR H H 31 9.118 9.118 8.822 0.296 25865
124 1 1 . 1 1 32 32 TRP N N 32 126.550 126.550 130.116 -3.566 25865
125 1 1 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.942 0.238 25865
126 1 1 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.638 1.762 25865
127 1 1 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.311 2.092 25865
128 1 1 . 1 1 32 32 TRP H H 32 8.773 8.773 8.692 0.081 25865
129 1 1 . 1 1 33 33 SER N N 33 117.395 117.395 122.388 -4.993 25865
130 1 1 . 1 1 33 33 SER HA H 33 4.540 4.540 4.365 0.175 25865
131 1 1 . 1 1 33 33 SER CA C 33 58.340 58.340 56.475 1.865 25865
132 1 1 . 1 1 33 33 SER CB C 33 63.660 63.660 64.708 -1.048 25865
133 1 1 . 1 1 33 33 SER H H 33 8.597 8.597 8.235 0.362 25865
134 1 1 . 1 1 34 34 LYS N N 34 130.255 130.255 124.336 5.919 25865
135 1 1 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.579 -1.859 25865
136 1 1 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.406 1.144 25865
137 1 1 . 1 1 34 34 LYS CB C 34 32.920 32.920 31.988 0.932 25865
138 1 1 . 1 1 34 34 LYS H H 34 8.356 8.356 8.211 0.145 25865
139 1 1 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.167 -0.121 25865
140 1 1 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.780 -0.631 25865
141 1 1 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.924 -0.522 25865
142 1 1 . 1 1 36 36 THR N N 36 114.635 114.635 116.127 -1.492 25865
143 1 1 . 1 1 36 36 THR HA H 36 4.132 4.132 4.329 -0.197 25865
144 1 1 . 1 1 36 36 THR CA C 36 61.022 61.022 61.614 -0.592 25865
145 1 1 . 1 1 36 36 THR CB C 36 70.111 70.111 69.672 0.439 25865
146 1 1 . 1 1 36 36 THR H H 36 7.920 7.920 8.097 -0.177 25865
147 1 1 . 1 1 37 37 MET N N 37 123.471 123.471 121.564 1.907 25865
148 1 1 . 1 1 37 37 MET HA H 37 4.380 4.380 4.567 -0.187 25865
149 1 1 . 1 1 37 37 MET CA C 37 55.304 55.304 54.935 0.369 25865
150 1 1 . 1 1 37 37 MET CB C 37 32.931 32.931 33.946 -1.015 25865
151 1 1 . 1 1 37 37 MET H H 37 8.335 8.335 8.243 0.092 25865
152 1 1 . 1 1 38 38 GLU N N 38 123.085 123.085 124.423 -1.338 25865
153 1 1 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.544 -0.164 25865
154 1 1 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.330 -0.654 25865
155 1 1 . 1 1 38 38 GLU CB C 38 29.896 29.896 30.523 -0.627 25865
156 1 1 . 1 1 38 38 GLU H H 38 8.355 8.355 8.634 -0.279 25865
157 1 2 . 1 1 5 5 GLY CA C 5 45.251 45.251 45.191 0.060 25865
158 1 2 . 1 1 6 6 LEU N N 6 121.542 121.542 119.051 2.491 25865
159 1 2 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.802 -0.239 25865
160 1 2 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.225 1.059 25865
161 1 2 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.304 1.094 25865
162 1 2 . 1 1 6 6 LEU H H 6 7.983 7.983 7.614 0.369 25865
163 1 2 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.418 0.340 25865
164 1 2 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.371 -0.171 25865
165 1 2 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.184 -0.484 25865
166 1 2 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.266 0.206 25865
167 1 2 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.167 -0.125 25865
168 1 2 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.377 0.411 25865
169 1 2 . 1 1 9 9 GLY N N 9 113.830 113.830 111.243 2.587 25865
170 1 2 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.958 0.872 25865
171 1 2 . 1 1 9 9 GLY H H 9 9.018 9.018 8.427 0.591 25865
172 1 2 . 1 1 10 10 TRP N N 10 118.923 118.923 121.647 -2.724 25865
173 1 2 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.584 0.416 25865
174 1 2 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.910 0.382 25865
175 1 2 . 1 1 10 10 TRP CB C 10 32.169 32.169 29.717 2.452 25865
176 1 2 . 1 1 10 10 TRP H H 10 7.694 7.694 8.049 -0.355 25865
177 1 2 . 1 1 11 11 GLU N N 11 121.415 121.415 124.267 -2.852 25865
178 1 2 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.580 0.178 25865
179 1 2 . 1 1 11 11 GLU CA C 11 55.098 55.098 55.014 0.084 25865
180 1 2 . 1 1 11 11 GLU CB C 11 35.184 35.184 32.660 2.525 25865
181 1 2 . 1 1 11 11 GLU H H 11 9.367 9.367 8.595 0.772 25865
182 1 2 . 1 1 12 12 GLU N N 12 126.940 126.940 123.870 3.070 25865
183 1 2 . 1 1 12 12 GLU HA H 12 4.665 4.665 3.929 0.736 25865
184 1 2 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.377 -0.432 25865
185 1 2 . 1 1 12 12 GLU CB C 12 31.795 31.795 29.540 2.255 25865
186 1 2 . 1 1 12 12 GLU H H 12 8.873 8.873 8.516 0.357 25865
187 1 2 . 1 1 13 13 LYS N N 13 128.576 128.576 124.656 3.920 25865
188 1 2 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.457 -0.081 25865
189 1 2 . 1 1 13 13 LYS CA C 13 54.167 54.167 53.743 0.424 25865
190 1 2 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.241 -0.281 25865
191 1 2 . 1 1 13 13 LYS H H 13 8.418 8.418 8.554 -0.136 25865
192 1 2 . 1 1 14 14 GLN N N 14 116.724 116.724 118.198 -1.474 25865
193 1 2 . 1 1 14 14 GLN HA H 14 5.366 5.366 5.251 0.115 25865
194 1 2 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.506 1.054 25865
195 1 2 . 1 1 14 14 GLN CB C 14 32.540 32.540 31.507 1.033 25865
196 1 2 . 1 1 14 14 GLN H H 14 7.901 7.901 8.092 -0.191 25865
197 1 2 . 1 1 15 15 ASP N N 15 124.800 124.800 120.839 3.961 25865
198 1 2 . 1 1 15 15 ASP HA H 15 4.855 4.855 5.010 -0.155 25865
199 1 2 . 1 1 15 15 ASP CA C 15 52.600 52.600 53.079 -0.479 25865
200 1 2 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.859 -0.956 25865
201 1 2 . 1 1 15 15 ASP H H 15 9.127 9.127 8.420 0.707 25865
202 1 2 . 1 1 16 16 ASP N N 16 117.818 117.818 119.006 -1.188 25865
203 1 2 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.432 -0.009 25865
204 1 2 . 1 1 16 16 ASP CA C 16 56.194 56.194 57.178 -0.984 25865
205 1 2 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.638 -0.838 25865
206 1 2 . 1 1 16 16 ASP H H 16 8.524 8.524 8.860 -0.336 25865
207 1 2 . 1 1 17 17 ARG N N 17 119.990 119.990 116.646 3.344 25865
208 1 2 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.454 0.036 25865
209 1 2 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.933 -0.633 25865
210 1 2 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.623 -0.023 25865
211 1 2 . 1 1 17 17 ARG H H 17 8.229 8.229 8.497 -0.268 25865
212 1 2 . 1 1 18 18 GLY N N 18 109.964 109.964 107.134 2.830 25865
213 1 2 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.902 0.528 25865
214 1 2 . 1 1 18 18 GLY H H 18 8.140 8.140 7.995 0.145 25865
215 1 2 . 1 1 19 19 ARG N N 19 124.871 124.871 120.896 3.975 25865
216 1 2 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.494 -0.037 25865
217 1 2 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.390 1.673 25865
218 1 2 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.016 0.011 25865
219 1 2 . 1 1 19 19 ARG H H 19 8.825 8.825 9.025 -0.200 25865
220 1 2 . 1 1 20 20 SER N N 20 122.965 122.965 118.922 4.043 25865
221 1 2 . 1 1 20 20 SER HA H 20 5.245 5.245 4.763 0.482 25865
222 1 2 . 1 1 20 20 SER CA C 20 59.856 59.856 58.608 1.248 25865
223 1 2 . 1 1 20 20 SER CB C 20 64.041 64.041 63.486 0.555 25865
224 1 2 . 1 1 20 20 SER H H 20 8.854 8.854 8.675 0.179 25865
225 1 2 . 1 1 21 21 TYR N N 21 120.834 120.834 124.558 -3.724 25865
226 1 2 . 1 1 21 21 TYR HA H 21 4.680 4.680 5.503 -0.823 25865
227 1 2 . 1 1 21 21 TYR CA C 21 55.689 55.689 55.204 0.485 25865
228 1 2 . 1 1 21 21 TYR CB C 21 39.738 39.738 40.076 -0.338 25865
229 1 2 . 1 1 21 21 TYR H H 21 8.840 8.840 8.573 0.267 25865
230 1 2 . 1 1 22 22 TYR N N 22 118.070 118.070 117.400 0.670 25865
231 1 2 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.772 -0.573 25865
232 1 2 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.698 0.887 25865
233 1 2 . 1 1 22 22 TYR CB C 22 40.891 40.891 42.017 -1.126 25865
234 1 2 . 1 1 22 22 TYR H H 22 9.009 9.009 8.756 0.253 25865
235 1 2 . 1 1 23 23 VAL N N 23 124.250 124.250 123.166 1.084 25865
236 1 2 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.651 -0.445 25865
237 1 2 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.477 1.526 25865
238 1 2 . 1 1 23 23 VAL CB C 23 34.173 34.173 35.294 -1.121 25865
239 1 2 . 1 1 23 23 VAL H H 23 9.292 9.292 8.671 0.621 25865
240 1 2 . 1 1 24 24 ASP N N 24 125.668 125.668 129.396 -3.728 25865
241 1 2 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.477 -0.776 25865
242 1 2 . 1 1 24 24 ASP CA C 24 51.144 51.144 53.011 -1.867 25865
243 1 2 . 1 1 24 24 ASP CB C 24 39.002 39.002 41.185 -2.183 25865
244 1 2 . 1 1 24 24 ASP H H 24 8.200 8.200 8.494 -0.294 25865
245 1 2 . 1 1 25 25 HIS N N 25 124.047 124.047 126.119 -2.072 25865
246 1 2 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.452 -0.182 25865
247 1 2 . 1 1 25 25 HIS CA C 25 58.737 58.737 58.170 0.567 25865
248 1 2 . 1 1 25 25 HIS CB C 25 30.261 30.261 29.870 0.391 25865
249 1 2 . 1 1 25 25 HIS H H 25 8.789 8.789 8.835 -0.046 25865
250 1 2 . 1 1 26 26 ASN N N 26 117.400 117.400 116.598 0.802 25865
251 1 2 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.681 -0.241 25865
252 1 2 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.073 0.619 25865
253 1 2 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.024 -0.788 25865
254 1 2 . 1 1 26 26 ASN H H 26 8.300 8.300 8.565 -0.265 25865
255 1 2 . 1 1 27 27 SER N N 27 111.903 111.903 113.058 -1.155 25865
256 1 2 . 1 1 27 27 SER HA H 27 4.282 4.282 4.587 -0.305 25865
257 1 2 . 1 1 27 27 SER CA C 27 57.983 57.983 58.753 -0.770 25865
258 1 2 . 1 1 27 27 SER CB C 27 64.052 64.052 65.043 -0.991 25865
259 1 2 . 1 1 27 27 SER H H 27 6.846 6.846 8.780 -1.934 25865
260 1 2 . 1 1 28 28 LYS N N 28 120.494 120.494 119.869 0.625 25865
261 1 2 . 1 1 28 28 LYS HA H 28 4.135 4.135 3.937 0.198 25865
262 1 2 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.124 -0.286 25865
263 1 2 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.566 -1.198 25865
264 1 2 . 1 1 28 28 LYS H H 28 7.710 7.710 7.845 -0.135 25865
265 1 2 . 1 1 29 29 THR N N 29 110.416 110.416 117.421 -7.005 25865
266 1 2 . 1 1 29 29 THR HA H 29 4.680 4.680 4.417 0.263 25865
267 1 2 . 1 1 29 29 THR CA C 29 60.400 60.400 61.241 -0.841 25865
268 1 2 . 1 1 29 29 THR CB C 29 72.000 72.000 71.655 0.345 25865
269 1 2 . 1 1 29 29 THR H H 29 7.247 7.247 8.044 -0.797 25865
270 1 2 . 1 1 30 30 THR N N 30 112.268 112.268 121.937 -9.669 25865
271 1 2 . 1 1 30 30 THR HA H 30 5.457 5.457 4.180 1.277 25865
272 1 2 . 1 1 30 30 THR CA C 30 59.600 59.600 61.572 -1.972 25865
273 1 2 . 1 1 30 30 THR CB C 30 71.800 71.800 68.912 2.888 25865
274 1 2 . 1 1 30 30 THR H H 30 8.117 8.117 8.392 -0.275 25865
275 1 2 . 1 1 31 31 THR N N 31 115.637 115.637 122.401 -6.764 25865
276 1 2 . 1 1 31 31 THR HA H 31 4.758 4.758 4.625 0.133 25865
277 1 2 . 1 1 31 31 THR CA C 31 59.477 59.477 60.456 -0.979 25865
278 1 2 . 1 1 31 31 THR CB C 31 69.375 69.375 70.151 -0.776 25865
279 1 2 . 1 1 31 31 THR H H 31 9.118 9.118 8.388 0.730 25865
280 1 2 . 1 1 32 32 TRP N N 32 126.550 126.550 123.159 3.391 25865
281 1 2 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.730 0.450 25865
282 1 2 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.945 1.455 25865
283 1 2 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.126 2.278 25865
284 1 2 . 1 1 32 32 TRP H H 32 8.773 8.773 8.330 0.443 25865
285 1 2 . 1 1 33 33 SER N N 33 117.395 117.395 115.088 2.307 25865
286 1 2 . 1 1 33 33 SER HA H 33 4.540 4.540 4.691 -0.151 25865
287 1 2 . 1 1 33 33 SER CA C 33 58.340 58.340 58.817 -0.477 25865
288 1 2 . 1 1 33 33 SER CB C 33 63.660 63.660 63.961 -0.301 25865
289 1 2 . 1 1 33 33 SER H H 33 8.597 8.597 8.679 -0.082 25865
290 1 2 . 1 1 34 34 LYS N N 34 130.255 130.255 120.196 10.059 25865
291 1 2 . 1 1 34 34 LYS HA H 34 2.720 2.720 3.916 -1.196 25865
292 1 2 . 1 1 34 34 LYS CA C 34 54.550 54.550 55.499 -0.949 25865
293 1 2 . 1 1 34 34 LYS CB C 34 32.920 32.920 31.313 1.607 25865
294 1 2 . 1 1 34 34 LYS H H 34 8.356 8.356 7.708 0.648 25865
295 1 2 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.291 -0.245 25865
296 1 2 . 1 1 35 35 PRO CA C 35 62.149 62.149 63.895 -1.746 25865
297 1 2 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.751 -0.349 25865
298 1 2 . 1 1 36 36 THR N N 36 114.635 114.635 116.147 -1.512 25865
299 1 2 . 1 1 36 36 THR HA H 36 4.132 4.132 4.223 -0.091 25865
300 1 2 . 1 1 36 36 THR CA C 36 61.022 61.022 62.281 -1.259 25865
301 1 2 . 1 1 36 36 THR CB C 36 70.111 70.111 69.566 0.545 25865
302 1 2 . 1 1 36 36 THR H H 36 7.920 7.920 8.403 -0.483 25865
303 1 2 . 1 1 37 37 MET N N 37 123.471 123.471 117.681 5.790 25865
304 1 2 . 1 1 37 37 MET HA H 37 4.380 4.380 4.237 0.143 25865
305 1 2 . 1 1 37 37 MET CA C 37 55.304 55.304 56.384 -1.080 25865
306 1 2 . 1 1 37 37 MET CB C 37 32.931 32.931 32.482 0.449 25865
307 1 2 . 1 1 37 37 MET H H 37 8.335 8.335 7.886 0.449 25865
308 1 2 . 1 1 38 38 GLU N N 38 123.085 123.085 122.243 0.842 25865
309 1 2 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.698 -0.318 25865
310 1 2 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.482 -0.806 25865
311 1 2 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.771 0.125 25865
312 1 2 . 1 1 38 38 GLU H H 38 8.355 8.355 8.310 0.045 25865
313 1 3 . 1 1 5 5 GLY CA C 5 45.251 45.251 44.852 0.399 25865
314 1 3 . 1 1 6 6 LEU N N 6 121.542 121.542 121.760 -0.218 25865
315 1 3 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.528 0.035 25865
316 1 3 . 1 1 6 6 LEU CA C 6 52.284 52.284 52.791 -0.507 25865
317 1 3 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.178 1.220 25865
318 1 3 . 1 1 6 6 LEU H H 6 7.983 7.983 8.171 -0.188 25865
319 1 3 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.436 0.322 25865
320 1 3 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.505 -0.305 25865
321 1 3 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.730 -1.030 25865
322 1 3 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.332 0.140 25865
323 1 3 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.278 -0.236 25865
324 1 3 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.620 0.168 25865
325 1 3 . 1 1 9 9 GLY N N 9 113.830 113.830 111.194 2.636 25865
326 1 3 . 1 1 9 9 GLY CA C 9 45.830 45.830 45.013 0.817 25865
327 1 3 . 1 1 9 9 GLY H H 9 9.018 9.018 8.515 0.503 25865
328 1 3 . 1 1 10 10 TRP N N 10 118.923 118.923 120.822 -1.899 25865
329 1 3 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.496 0.504 25865
330 1 3 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.429 0.863 25865
331 1 3 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.665 1.504 25865
332 1 3 . 1 1 10 10 TRP H H 10 7.694 7.694 8.032 -0.338 25865
333 1 3 . 1 1 11 11 GLU N N 11 121.415 121.415 122.336 -0.921 25865
334 1 3 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.755 0.003 25865
335 1 3 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.402 0.696 25865
336 1 3 . 1 1 11 11 GLU CB C 11 35.184 35.184 33.387 1.797 25865
337 1 3 . 1 1 11 11 GLU H H 11 9.367 9.367 8.672 0.695 25865
338 1 3 . 1 1 12 12 GLU N N 12 126.940 126.940 125.004 1.936 25865
339 1 3 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.719 -0.054 25865
340 1 3 . 1 1 12 12 GLU CA C 12 54.945 54.945 54.669 0.276 25865
341 1 3 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.609 1.186 25865
342 1 3 . 1 1 12 12 GLU H H 12 8.873 8.873 8.678 0.195 25865
343 1 3 . 1 1 13 13 LYS N N 13 128.576 128.576 124.596 3.980 25865
344 1 3 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.450 -0.074 25865
345 1 3 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.617 -0.450 25865
346 1 3 . 1 1 13 13 LYS CB C 13 35.960 35.960 35.247 0.713 25865
347 1 3 . 1 1 13 13 LYS H H 13 8.418 8.418 8.321 0.097 25865
348 1 3 . 1 1 14 14 GLN N N 14 116.724 116.724 119.615 -2.891 25865
349 1 3 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.539 0.827 25865
350 1 3 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.729 -0.169 25865
351 1 3 . 1 1 14 14 GLN CB C 14 32.540 32.540 30.464 2.076 25865
352 1 3 . 1 1 14 14 GLN H H 14 7.901 7.901 8.347 -0.446 25865
353 1 3 . 1 1 15 15 ASP N N 15 124.800 124.800 119.983 4.817 25865
354 1 3 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.822 0.033 25865
355 1 3 . 1 1 15 15 ASP CA C 15 52.600 52.600 53.458 -0.858 25865
356 1 3 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.681 -0.778 25865
357 1 3 . 1 1 15 15 ASP H H 15 9.127 9.127 8.254 0.873 25865
358 1 3 . 1 1 16 16 ASP N N 16 117.818 117.818 117.181 0.637 25865
359 1 3 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.455 -0.032 25865
360 1 3 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.221 -0.028 25865
361 1 3 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.858 -1.058 25865
362 1 3 . 1 1 16 16 ASP H H 16 8.524 8.524 8.553 -0.029 25865
363 1 3 . 1 1 17 17 ARG N N 17 119.990 119.990 117.059 2.931 25865
364 1 3 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.393 0.097 25865
365 1 3 . 1 1 17 17 ARG CA C 17 55.300 55.300 56.673 -1.373 25865
366 1 3 . 1 1 17 17 ARG CB C 17 30.600 30.600 31.527 -0.927 25865
367 1 3 . 1 1 17 17 ARG H H 17 8.229 8.229 7.945 0.284 25865
368 1 3 . 1 1 18 18 GLY N N 18 109.964 109.964 105.251 4.713 25865
369 1 3 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.683 0.747 25865
370 1 3 . 1 1 18 18 GLY H H 18 8.140 8.140 8.906 -0.766 25865
371 1 3 . 1 1 19 19 ARG N N 19 124.871 124.871 122.717 2.154 25865
372 1 3 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.399 0.058 25865
373 1 3 . 1 1 19 19 ARG CA C 19 56.063 56.063 55.840 0.223 25865
374 1 3 . 1 1 19 19 ARG CB C 19 31.027 31.027 30.504 0.523 25865
375 1 3 . 1 1 19 19 ARG H H 19 8.825 8.825 9.353 -0.528 25865
376 1 3 . 1 1 20 20 SER N N 20 122.965 122.965 123.108 -0.143 25865
377 1 3 . 1 1 20 20 SER HA H 20 5.245 5.245 4.150 1.095 25865
378 1 3 . 1 1 20 20 SER CA C 20 59.856 59.856 59.082 0.774 25865
379 1 3 . 1 1 20 20 SER CB C 20 64.041 64.041 62.926 1.115 25865
380 1 3 . 1 1 20 20 SER H H 20 8.854 8.854 8.793 0.061 25865
381 1 3 . 1 1 21 21 TYR N N 21 120.834 120.834 123.011 -2.177 25865
382 1 3 . 1 1 21 21 TYR HA H 21 4.680 4.680 3.971 0.709 25865
383 1 3 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.869 0.820 25865
384 1 3 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.130 0.608 25865
385 1 3 . 1 1 21 21 TYR H H 21 8.840 8.840 8.131 0.709 25865
386 1 3 . 1 1 22 22 TYR N N 22 118.070 118.070 117.080 0.990 25865
387 1 3 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.589 -0.390 25865
388 1 3 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.232 1.353 25865
389 1 3 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.969 -0.079 25865
390 1 3 . 1 1 22 22 TYR H H 22 9.009 9.009 7.982 1.027 25865
391 1 3 . 1 1 23 23 VAL N N 23 124.250 124.250 122.105 2.145 25865
392 1 3 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.133 0.073 25865
393 1 3 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.826 1.177 25865
394 1 3 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.298 -0.125 25865
395 1 3 . 1 1 23 23 VAL H H 23 9.292 9.292 8.748 0.544 25865
396 1 3 . 1 1 24 24 ASP N N 24 125.668 125.668 129.946 -4.278 25865
397 1 3 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.701 -1.000 25865
398 1 3 . 1 1 24 24 ASP CA C 24 51.144 51.144 51.962 -0.817 25865
399 1 3 . 1 1 24 24 ASP CB C 24 39.002 39.002 41.775 -2.773 25865
400 1 3 . 1 1 24 24 ASP H H 24 8.200 8.200 8.185 0.015 25865
401 1 3 . 1 1 25 25 HIS N N 25 124.047 124.047 125.811 -1.764 25865
402 1 3 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.310 -0.040 25865
403 1 3 . 1 1 25 25 HIS CA C 25 58.737 58.737 59.090 -0.353 25865
404 1 3 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.079 0.182 25865
405 1 3 . 1 1 25 25 HIS H H 25 8.789 8.789 9.137 -0.348 25865
406 1 3 . 1 1 26 26 ASN N N 26 117.400 117.400 117.472 -0.072 25865
407 1 3 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.625 -0.185 25865
408 1 3 . 1 1 26 26 ASN CA C 26 55.692 55.692 56.212 -0.520 25865
409 1 3 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.139 -0.903 25865
410 1 3 . 1 1 26 26 ASN H H 26 8.300 8.300 8.959 -0.659 25865
411 1 3 . 1 1 27 27 SER N N 27 111.903 111.903 113.937 -2.034 25865
412 1 3 . 1 1 27 27 SER HA H 27 4.282 4.282 4.641 -0.358 25865
413 1 3 . 1 1 27 27 SER CA C 27 57.983 57.983 57.930 0.053 25865
414 1 3 . 1 1 27 27 SER CB C 27 64.052 64.052 63.716 0.336 25865
415 1 3 . 1 1 27 27 SER H H 27 6.846 6.846 7.992 -1.146 25865
416 1 3 . 1 1 28 28 LYS N N 28 120.494 120.494 119.457 1.037 25865
417 1 3 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.007 0.128 25865
418 1 3 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.401 -0.563 25865
419 1 3 . 1 1 28 28 LYS CB C 28 28.368 28.368 30.200 -1.832 25865
420 1 3 . 1 1 28 28 LYS H H 28 7.710 7.710 7.736 -0.026 25865
421 1 3 . 1 1 29 29 THR N N 29 110.416 110.416 114.352 -3.936 25865
422 1 3 . 1 1 29 29 THR HA H 29 4.680 4.680 4.527 0.153 25865
423 1 3 . 1 1 29 29 THR CA C 29 60.400 60.400 61.767 -1.367 25865
424 1 3 . 1 1 29 29 THR CB C 29 72.000 72.000 71.373 0.627 25865
425 1 3 . 1 1 29 29 THR H H 29 7.247 7.247 7.577 -0.330 25865
426 1 3 . 1 1 30 30 THR N N 30 112.268 112.268 121.895 -9.627 25865
427 1 3 . 1 1 30 30 THR HA H 30 5.457 5.457 4.637 0.820 25865
428 1 3 . 1 1 30 30 THR CA C 30 59.600 59.600 60.613 -1.013 25865
429 1 3 . 1 1 30 30 THR CB C 30 71.800 71.800 69.171 2.629 25865
430 1 3 . 1 1 30 30 THR H H 30 8.117 8.117 8.519 -0.402 25865
431 1 3 . 1 1 31 31 THR N N 31 115.637 115.637 122.372 -6.735 25865
432 1 3 . 1 1 31 31 THR HA H 31 4.758 4.758 4.574 0.184 25865
433 1 3 . 1 1 31 31 THR CA C 31 59.477 59.477 60.353 -0.876 25865
434 1 3 . 1 1 31 31 THR CB C 31 69.375 69.375 71.160 -1.785 25865
435 1 3 . 1 1 31 31 THR H H 31 9.118 9.118 7.976 1.142 25865
436 1 3 . 1 1 32 32 TRP N N 32 126.550 126.550 129.555 -3.005 25865
437 1 3 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.770 0.410 25865
438 1 3 . 1 1 32 32 TRP CA C 32 58.400 58.400 57.714 0.686 25865
439 1 3 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.368 2.036 25865
440 1 3 . 1 1 32 32 TRP H H 32 8.773 8.773 8.670 0.103 25865
441 1 3 . 1 1 33 33 SER N N 33 117.395 117.395 121.732 -4.337 25865
442 1 3 . 1 1 33 33 SER HA H 33 4.540 4.540 5.049 -0.509 25865
443 1 3 . 1 1 33 33 SER CA C 33 58.340 58.340 57.166 1.174 25865
444 1 3 . 1 1 33 33 SER CB C 33 63.660 63.660 66.098 -2.438 25865
445 1 3 . 1 1 33 33 SER H H 33 8.597 8.597 8.153 0.444 25865
446 1 3 . 1 1 34 34 LYS N N 34 130.255 130.255 126.685 3.570 25865
447 1 3 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.439 -1.719 25865
448 1 3 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.099 1.450 25865
449 1 3 . 1 1 34 34 LYS CB C 34 32.920 32.920 32.236 0.684 25865
450 1 3 . 1 1 34 34 LYS H H 34 8.356 8.356 8.671 -0.315 25865
451 1 3 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.307 -0.261 25865
452 1 3 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.546 -0.397 25865
453 1 3 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.547 -0.145 25865
454 1 3 . 1 1 36 36 THR N N 36 114.635 114.635 114.597 0.038 25865
455 1 3 . 1 1 36 36 THR HA H 36 4.132 4.132 3.952 0.180 25865
456 1 3 . 1 1 36 36 THR CA C 36 61.022 61.022 62.614 -1.592 25865
457 1 3 . 1 1 36 36 THR CB C 36 70.111 70.111 69.304 0.807 25865
458 1 3 . 1 1 36 36 THR H H 36 7.920 7.920 8.132 -0.212 25865
459 1 3 . 1 1 37 37 MET N N 37 123.471 123.471 119.425 4.046 25865
460 1 3 . 1 1 37 37 MET HA H 37 4.380 4.380 4.190 0.190 25865
461 1 3 . 1 1 37 37 MET CA C 37 55.304 55.304 56.475 -1.171 25865
462 1 3 . 1 1 37 37 MET CB C 37 32.931 32.931 32.478 0.453 25865
463 1 3 . 1 1 37 37 MET H H 37 8.335 8.335 8.341 -0.006 25865
464 1 3 . 1 1 38 38 GLU N N 38 123.085 123.085 119.605 3.480 25865
465 1 3 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.593 -0.213 25865
466 1 3 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.042 -0.366 25865
467 1 3 . 1 1 38 38 GLU CB C 38 29.896 29.896 30.662 -0.766 25865
468 1 3 . 1 1 38 38 GLU H H 38 8.355 8.355 8.434 -0.079 25865
469 1 4 . 1 1 5 5 GLY CA C 5 45.251 45.251 45.034 0.217 25865
470 1 4 . 1 1 6 6 LEU N N 6 121.542 121.542 119.539 2.003 25865
471 1 4 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.198 0.365 25865
472 1 4 . 1 1 6 6 LEU CA C 6 52.284 52.284 52.472 -0.188 25865
473 1 4 . 1 1 6 6 LEU CB C 6 42.398 42.398 40.569 1.829 25865
474 1 4 . 1 1 6 6 LEU H H 6 7.983 7.983 7.493 0.490 25865
475 1 4 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.439 0.319 25865
476 1 4 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.099 0.101 25865
477 1 4 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.493 -0.793 25865
478 1 4 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.361 0.111 25865
479 1 4 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.218 -0.176 25865
480 1 4 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.818 -0.030 25865
481 1 4 . 1 1 9 9 GLY N N 9 113.830 113.830 110.853 2.977 25865
482 1 4 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.888 0.942 25865
483 1 4 . 1 1 9 9 GLY H H 9 9.018 9.018 8.598 0.420 25865
484 1 4 . 1 1 10 10 TRP N N 10 118.923 118.923 121.228 -2.305 25865
485 1 4 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.381 0.619 25865
486 1 4 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.841 0.451 25865
487 1 4 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.034 2.135 25865
488 1 4 . 1 1 10 10 TRP H H 10 7.694 7.694 8.191 -0.497 25865
489 1 4 . 1 1 11 11 GLU N N 11 121.415 121.415 122.130 -0.715 25865
490 1 4 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.806 -0.048 25865
491 1 4 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.013 1.085 25865
492 1 4 . 1 1 11 11 GLU CB C 11 35.184 35.184 34.178 1.006 25865
493 1 4 . 1 1 11 11 GLU H H 11 9.367 9.367 8.610 0.757 25865
494 1 4 . 1 1 12 12 GLU N N 12 126.940 126.940 126.356 0.584 25865
495 1 4 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.466 0.199 25865
496 1 4 . 1 1 12 12 GLU CA C 12 54.945 54.945 56.816 -1.871 25865
497 1 4 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.233 1.562 25865
498 1 4 . 1 1 12 12 GLU H H 12 8.873 8.873 8.935 -0.062 25865
499 1 4 . 1 1 13 13 LYS N N 13 128.576 128.576 125.996 2.580 25865
500 1 4 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.827 -0.451 25865
501 1 4 . 1 1 13 13 LYS CA C 13 54.167 54.167 53.716 0.451 25865
502 1 4 . 1 1 13 13 LYS CB C 13 35.960 35.960 37.281 -1.321 25865
503 1 4 . 1 1 13 13 LYS H H 13 8.418 8.418 8.980 -0.562 25865
504 1 4 . 1 1 14 14 GLN N N 14 116.724 116.724 117.268 -0.544 25865
505 1 4 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.856 0.510 25865
506 1 4 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.324 1.236 25865
507 1 4 . 1 1 14 14 GLN CB C 14 32.540 32.540 32.019 0.521 25865
508 1 4 . 1 1 14 14 GLN H H 14 7.901 7.901 8.373 -0.472 25865
509 1 4 . 1 1 15 15 ASP N N 15 124.800 124.800 119.259 5.541 25865
510 1 4 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.440 0.415 25865
511 1 4 . 1 1 15 15 ASP CA C 15 52.600 52.600 52.118 0.482 25865
512 1 4 . 1 1 15 15 ASP CB C 15 40.903 40.903 42.349 -1.446 25865
513 1 4 . 1 1 15 15 ASP H H 15 9.127 9.127 7.943 1.184 25865
514 1 4 . 1 1 16 16 ASP N N 16 117.818 117.818 117.522 0.296 25865
515 1 4 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.469 -0.046 25865
516 1 4 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.072 0.122 25865
517 1 4 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.995 -1.195 25865
518 1 4 . 1 1 16 16 ASP H H 16 8.524 8.524 8.488 0.036 25865
519 1 4 . 1 1 17 17 ARG N N 17 119.990 119.990 117.675 2.315 25865
520 1 4 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.405 0.085 25865
521 1 4 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.294 0.006 25865
522 1 4 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.449 0.151 25865
523 1 4 . 1 1 17 17 ARG H H 17 8.229 8.229 8.551 -0.322 25865
524 1 4 . 1 1 18 18 GLY N N 18 109.964 109.964 107.415 2.549 25865
525 1 4 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.952 0.478 25865
526 1 4 . 1 1 18 18 GLY H H 18 8.140 8.140 7.596 0.544 25865
527 1 4 . 1 1 19 19 ARG N N 19 124.871 124.871 120.945 3.926 25865
528 1 4 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.612 -0.155 25865
529 1 4 . 1 1 19 19 ARG CA C 19 56.063 56.063 53.663 2.400 25865
530 1 4 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.863 -0.836 25865
531 1 4 . 1 1 19 19 ARG H H 19 8.825 8.825 9.012 -0.187 25865
532 1 4 . 1 1 20 20 SER N N 20 122.965 122.965 121.226 1.739 25865
533 1 4 . 1 1 20 20 SER HA H 20 5.245 5.245 4.903 0.342 25865
534 1 4 . 1 1 20 20 SER CA C 20 59.856 59.856 57.983 1.873 25865
535 1 4 . 1 1 20 20 SER CB C 20 64.041 64.041 63.128 0.913 25865
536 1 4 . 1 1 20 20 SER H H 20 8.854 8.854 8.643 0.211 25865
537 1 4 . 1 1 21 21 TYR N N 21 120.834 120.834 123.030 -2.196 25865
538 1 4 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.172 0.508 25865
539 1 4 . 1 1 21 21 TYR CA C 21 55.689 55.689 52.787 2.902 25865
540 1 4 . 1 1 21 21 TYR CB C 21 39.738 39.738 38.864 0.874 25865
541 1 4 . 1 1 21 21 TYR H H 21 8.840 8.840 7.768 1.072 25865
542 1 4 . 1 1 22 22 TYR N N 22 118.070 118.070 116.553 1.517 25865
543 1 4 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.596 -0.397 25865
544 1 4 . 1 1 22 22 TYR CA C 22 57.585 57.585 55.897 1.688 25865
545 1 4 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.893 -0.002 25865
546 1 4 . 1 1 22 22 TYR H H 22 9.009 9.009 8.060 0.949 25865
547 1 4 . 1 1 23 23 VAL N N 23 124.250 124.250 122.899 1.351 25865
548 1 4 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.037 0.169 25865
549 1 4 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.925 1.078 25865
550 1 4 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.042 0.131 25865
551 1 4 . 1 1 23 23 VAL H H 23 9.292 9.292 8.672 0.620 25865
552 1 4 . 1 1 24 24 ASP N N 24 125.668 125.668 128.914 -3.246 25865
553 1 4 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.819 -1.118 25865
554 1 4 . 1 1 24 24 ASP CA C 24 51.144 51.144 52.214 -1.070 25865
555 1 4 . 1 1 24 24 ASP CB C 24 39.002 39.002 42.376 -3.374 25865
556 1 4 . 1 1 24 24 ASP H H 24 8.200 8.200 8.039 0.161 25865
557 1 4 . 1 1 25 25 HIS N N 25 124.047 124.047 124.971 -0.924 25865
558 1 4 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.516 -0.246 25865
559 1 4 . 1 1 25 25 HIS CA C 25 58.737 58.737 57.827 0.910 25865
560 1 4 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.119 0.142 25865
561 1 4 . 1 1 25 25 HIS H H 25 8.789 8.789 8.138 0.651 25865
562 1 4 . 1 1 26 26 ASN N N 26 117.400 117.400 116.418 0.982 25865
563 1 4 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.693 -0.253 25865
564 1 4 . 1 1 26 26 ASN CA C 26 55.692 55.692 54.790 0.902 25865
565 1 4 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.424 -1.188 25865
566 1 4 . 1 1 26 26 ASN H H 26 8.300 8.300 8.131 0.169 25865
567 1 4 . 1 1 27 27 SER N N 27 111.903 111.903 114.430 -2.527 25865
568 1 4 . 1 1 27 27 SER HA H 27 4.282 4.282 4.418 -0.136 25865
569 1 4 . 1 1 27 27 SER CA C 27 57.983 57.983 59.610 -1.627 25865
570 1 4 . 1 1 27 27 SER CB C 27 64.052 64.052 64.134 -0.082 25865
571 1 4 . 1 1 27 27 SER H H 27 6.846 6.846 8.607 -1.761 25865
572 1 4 . 1 1 28 28 LYS N N 28 120.494 120.494 117.065 3.429 25865
573 1 4 . 1 1 28 28 LYS HA H 28 4.135 4.135 3.988 0.147 25865
574 1 4 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.382 -0.544 25865
575 1 4 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.932 -1.564 25865
576 1 4 . 1 1 28 28 LYS H H 28 7.710 7.710 8.035 -0.325 25865
577 1 4 . 1 1 29 29 THR N N 29 110.416 110.416 111.785 -1.369 25865
578 1 4 . 1 1 29 29 THR HA H 29 4.680 4.680 4.538 0.142 25865
579 1 4 . 1 1 29 29 THR CA C 29 60.400 60.400 60.316 0.084 25865
580 1 4 . 1 1 29 29 THR CB C 29 72.000 72.000 72.227 -0.227 25865
581 1 4 . 1 1 29 29 THR H H 29 7.247 7.247 7.485 -0.238 25865
582 1 4 . 1 1 30 30 THR N N 30 112.268 112.268 118.910 -6.642 25865
583 1 4 . 1 1 30 30 THR HA H 30 5.457 5.457 4.073 1.384 25865
584 1 4 . 1 1 30 30 THR CA C 30 59.600 59.600 62.398 -2.798 25865
585 1 4 . 1 1 30 30 THR CB C 30 71.800 71.800 69.433 2.367 25865
586 1 4 . 1 1 30 30 THR H H 30 8.117 8.117 8.305 -0.188 25865
587 1 4 . 1 1 31 31 THR N N 31 115.637 115.637 121.812 -6.175 25865
588 1 4 . 1 1 31 31 THR HA H 31 4.758 4.758 4.448 0.310 25865
589 1 4 . 1 1 31 31 THR CA C 31 59.477 59.477 61.544 -2.067 25865
590 1 4 . 1 1 31 31 THR CB C 31 69.375 69.375 69.828 -0.452 25865
591 1 4 . 1 1 31 31 THR H H 31 9.118 9.118 8.248 0.870 25865
592 1 4 . 1 1 32 32 TRP N N 32 126.550 126.550 130.014 -3.464 25865
593 1 4 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.746 0.434 25865
594 1 4 . 1 1 32 32 TRP CA C 32 58.400 58.400 57.346 1.054 25865
595 1 4 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.680 1.724 25865
596 1 4 . 1 1 32 32 TRP H H 32 8.773 8.773 8.759 0.014 25865
597 1 4 . 1 1 33 33 SER N N 33 117.395 117.395 121.390 -3.995 25865
598 1 4 . 1 1 33 33 SER HA H 33 4.540 4.540 5.041 -0.501 25865
599 1 4 . 1 1 33 33 SER CA C 33 58.340 58.340 57.303 1.037 25865
600 1 4 . 1 1 33 33 SER CB C 33 63.660 63.660 65.130 -1.470 25865
601 1 4 . 1 1 33 33 SER H H 33 8.597 8.597 8.228 0.369 25865
602 1 4 . 1 1 34 34 LYS N N 34 130.255 130.255 125.182 5.073 25865
603 1 4 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.907 -2.187 25865
604 1 4 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.023 1.527 25865
605 1 4 . 1 1 34 34 LYS CB C 34 32.920 32.920 32.563 0.357 25865
606 1 4 . 1 1 34 34 LYS H H 34 8.356 8.356 8.674 -0.318 25865
607 1 4 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.356 -0.310 25865
608 1 4 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.404 -0.255 25865
609 1 4 . 1 1 35 35 PRO CB C 35 31.402 31.402 32.239 -0.837 25865
610 1 4 . 1 1 36 36 THR N N 36 114.635 114.635 118.436 -3.801 25865
611 1 4 . 1 1 36 36 THR HA H 36 4.132 4.132 4.126 0.006 25865
612 1 4 . 1 1 36 36 THR CA C 36 61.022 61.022 63.719 -2.697 25865
613 1 4 . 1 1 36 36 THR CB C 36 70.111 70.111 68.241 1.870 25865
614 1 4 . 1 1 36 36 THR H H 36 7.920 7.920 8.284 -0.364 25865
615 1 4 . 1 1 37 37 MET N N 37 123.471 123.471 123.844 -0.373 25865
616 1 4 . 1 1 37 37 MET HA H 37 4.380 4.380 4.734 -0.354 25865
617 1 4 . 1 1 37 37 MET CA C 37 55.304 55.304 54.667 0.637 25865
618 1 4 . 1 1 37 37 MET CB C 37 32.931 32.931 36.664 -3.733 25865
619 1 4 . 1 1 37 37 MET H H 37 8.335 8.335 7.780 0.555 25865
620 1 4 . 1 1 38 38 GLU N N 38 123.085 123.085 121.559 1.526 25865
621 1 4 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.464 -0.084 25865
622 1 4 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.460 -0.784 25865
623 1 4 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.133 0.763 25865
624 1 4 . 1 1 38 38 GLU H H 38 8.355 8.355 8.722 -0.367 25865
625 1 5 . 1 1 5 5 GLY CA C 5 45.251 45.251 46.154 -0.903 25865
626 1 5 . 1 1 6 6 LEU N N 6 121.542 121.542 120.560 0.982 25865
627 1 5 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.727 -0.164 25865
628 1 5 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.585 0.699 25865
629 1 5 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.671 0.727 25865
630 1 5 . 1 1 6 6 LEU H H 6 7.983 7.983 7.547 0.436 25865
631 1 5 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.483 0.275 25865
632 1 5 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.324 -0.124 25865
633 1 5 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.490 -0.790 25865
634 1 5 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.342 0.130 25865
635 1 5 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.234 -0.192 25865
636 1 5 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.564 0.224 25865
637 1 5 . 1 1 9 9 GLY N N 9 113.830 113.830 111.448 2.382 25865
638 1 5 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.947 0.883 25865
639 1 5 . 1 1 9 9 GLY H H 9 9.018 9.018 8.516 0.502 25865
640 1 5 . 1 1 10 10 TRP N N 10 118.923 118.923 121.045 -2.122 25865
641 1 5 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.211 0.789 25865
642 1 5 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.736 0.556 25865
643 1 5 . 1 1 10 10 TRP CB C 10 32.169 32.169 29.975 2.194 25865
644 1 5 . 1 1 10 10 TRP H H 10 7.694 7.694 8.060 -0.366 25865
645 1 5 . 1 1 11 11 GLU N N 11 121.415 121.415 124.382 -2.967 25865
646 1 5 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.786 -0.028 25865
647 1 5 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.350 0.748 25865
648 1 5 . 1 1 11 11 GLU CB C 11 35.184 35.184 32.462 2.722 25865
649 1 5 . 1 1 11 11 GLU H H 11 9.367 9.367 8.972 0.395 25865
650 1 5 . 1 1 12 12 GLU N N 12 126.940 126.940 125.558 1.382 25865
651 1 5 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.932 -0.267 25865
652 1 5 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.565 -0.620 25865
653 1 5 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.040 1.755 25865
654 1 5 . 1 1 12 12 GLU H H 12 8.873 8.873 8.924 -0.051 25865
655 1 5 . 1 1 13 13 LYS N N 13 128.576 128.576 123.738 4.838 25865
656 1 5 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.572 -0.196 25865
657 1 5 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.040 0.127 25865
658 1 5 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.383 -0.423 25865
659 1 5 . 1 1 13 13 LYS H H 13 8.418 8.418 8.452 -0.034 25865
660 1 5 . 1 1 14 14 GLN N N 14 116.724 116.724 118.200 -1.476 25865
661 1 5 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.624 0.742 25865
662 1 5 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.695 0.865 25865
663 1 5 . 1 1 14 14 GLN CB C 14 32.540 32.540 32.050 0.490 25865
664 1 5 . 1 1 14 14 GLN H H 14 7.901 7.901 8.042 -0.141 25865
665 1 5 . 1 1 15 15 ASP N N 15 124.800 124.800 120.739 4.061 25865
666 1 5 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.894 -0.039 25865
667 1 5 . 1 1 15 15 ASP CA C 15 52.600 52.600 52.522 0.078 25865
668 1 5 . 1 1 15 15 ASP CB C 15 40.903 40.903 43.239 -2.336 25865
669 1 5 . 1 1 15 15 ASP H H 15 9.127 9.127 8.593 0.534 25865
670 1 5 . 1 1 16 16 ASP N N 16 117.818 117.818 118.744 -0.926 25865
671 1 5 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.504 -0.081 25865
672 1 5 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.187 0.007 25865
673 1 5 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.636 -0.836 25865
674 1 5 . 1 1 16 16 ASP H H 16 8.524 8.524 8.615 -0.091 25865
675 1 5 . 1 1 17 17 ARG N N 17 119.990 119.990 117.610 2.380 25865
676 1 5 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.307 0.183 25865
677 1 5 . 1 1 17 17 ARG CA C 17 55.300 55.300 56.583 -1.282 25865
678 1 5 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.990 -0.390 25865
679 1 5 . 1 1 17 17 ARG H H 17 8.229 8.229 8.555 -0.326 25865
680 1 5 . 1 1 18 18 GLY N N 18 109.964 109.964 106.098 3.866 25865
681 1 5 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.497 0.933 25865
682 1 5 . 1 1 18 18 GLY H H 18 8.140 8.140 7.904 0.236 25865
683 1 5 . 1 1 19 19 ARG N N 19 124.871 124.871 122.230 2.641 25865
684 1 5 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.353 0.104 25865
685 1 5 . 1 1 19 19 ARG CA C 19 56.063 56.063 53.626 2.437 25865
686 1 5 . 1 1 19 19 ARG CB C 19 31.027 31.027 29.713 1.314 25865
687 1 5 . 1 1 19 19 ARG H H 19 8.825 8.825 9.096 -0.271 25865
688 1 5 . 1 1 20 20 SER N N 20 122.965 122.965 122.049 0.916 25865
689 1 5 . 1 1 20 20 SER HA H 20 5.245 5.245 4.561 0.684 25865
690 1 5 . 1 1 20 20 SER CA C 20 59.856 59.856 57.841 2.015 25865
691 1 5 . 1 1 20 20 SER CB C 20 64.041 64.041 62.595 1.446 25865
692 1 5 . 1 1 20 20 SER H H 20 8.854 8.854 8.413 0.441 25865
693 1 5 . 1 1 21 21 TYR N N 21 120.834 120.834 121.987 -1.153 25865
694 1 5 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.390 0.290 25865
695 1 5 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.620 1.069 25865
696 1 5 . 1 1 21 21 TYR CB C 21 39.738 39.738 40.119 -0.381 25865
697 1 5 . 1 1 21 21 TYR H H 21 8.840 8.840 7.836 1.004 25865
698 1 5 . 1 1 22 22 TYR N N 22 118.070 118.070 117.698 0.372 25865
699 1 5 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.683 -0.484 25865
700 1 5 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.327 1.258 25865
701 1 5 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.840 0.051 25865
702 1 5 . 1 1 22 22 TYR H H 22 9.009 9.009 8.501 0.508 25865
703 1 5 . 1 1 23 23 VAL N N 23 124.250 124.250 123.416 0.834 25865
704 1 5 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.688 -0.482 25865
705 1 5 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.504 1.499 25865
706 1 5 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.614 -0.441 25865
707 1 5 . 1 1 23 23 VAL H H 23 9.292 9.292 8.965 0.327 25865
708 1 5 . 1 1 24 24 ASP N N 24 125.668 125.668 129.972 -4.304 25865
709 1 5 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.378 -0.677 25865
710 1 5 . 1 1 24 24 ASP CA C 24 51.144 51.144 53.319 -2.175 25865
711 1 5 . 1 1 24 24 ASP CB C 24 39.002 39.002 41.712 -2.710 25865
712 1 5 . 1 1 24 24 ASP H H 24 8.200 8.200 8.080 0.120 25865
713 1 5 . 1 1 25 25 HIS N N 25 124.047 124.047 124.354 -0.307 25865
714 1 5 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.406 -0.136 25865
715 1 5 . 1 1 25 25 HIS CA C 25 58.737 58.737 58.752 -0.015 25865
716 1 5 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.036 0.225 25865
717 1 5 . 1 1 25 25 HIS H H 25 8.789 8.789 8.952 -0.163 25865
718 1 5 . 1 1 26 26 ASN N N 26 117.400 117.400 119.536 -2.136 25865
719 1 5 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.591 -0.151 25865
720 1 5 . 1 1 26 26 ASN CA C 26 55.692 55.692 56.340 -0.648 25865
721 1 5 . 1 1 26 26 ASN CB C 26 38.236 38.236 38.656 -0.420 25865
722 1 5 . 1 1 26 26 ASN H H 26 8.300 8.300 8.711 -0.411 25865
723 1 5 . 1 1 27 27 SER N N 27 111.903 111.903 113.766 -1.863 25865
724 1 5 . 1 1 27 27 SER HA H 27 4.282 4.282 4.513 -0.231 25865
725 1 5 . 1 1 27 27 SER CA C 27 57.983 57.983 58.170 -0.187 25865
726 1 5 . 1 1 27 27 SER CB C 27 64.052 64.052 63.838 0.214 25865
727 1 5 . 1 1 27 27 SER H H 27 6.846 6.846 8.956 -2.110 25865
728 1 5 . 1 1 28 28 LYS N N 28 120.494 120.494 118.439 2.055 25865
729 1 5 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.055 0.080 25865
730 1 5 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.366 -0.528 25865
731 1 5 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.883 -1.514 25865
732 1 5 . 1 1 28 28 LYS H H 28 7.710 7.710 7.769 -0.059 25865
733 1 5 . 1 1 29 29 THR N N 29 110.416 110.416 112.353 -1.937 25865
734 1 5 . 1 1 29 29 THR HA H 29 4.680 4.680 4.460 0.220 25865
735 1 5 . 1 1 29 29 THR CA C 29 60.400 60.400 60.608 -0.207 25865
736 1 5 . 1 1 29 29 THR CB C 29 72.000 72.000 70.075 1.925 25865
737 1 5 . 1 1 29 29 THR H H 29 7.247 7.247 7.462 -0.215 25865
738 1 5 . 1 1 30 30 THR N N 30 112.268 112.268 120.531 -8.263 25865
739 1 5 . 1 1 30 30 THR HA H 30 5.457 5.457 4.281 1.176 25865
740 1 5 . 1 1 30 30 THR CA C 30 59.600 59.600 62.159 -2.559 25865
741 1 5 . 1 1 30 30 THR CB C 30 71.800 71.800 68.766 3.034 25865
742 1 5 . 1 1 30 30 THR H H 30 8.117 8.117 8.595 -0.478 25865
743 1 5 . 1 1 31 31 THR N N 31 115.637 115.637 123.520 -7.883 25865
744 1 5 . 1 1 31 31 THR HA H 31 4.758 4.758 4.644 0.114 25865
745 1 5 . 1 1 31 31 THR CA C 31 59.477 59.477 60.486 -1.009 25865
746 1 5 . 1 1 31 31 THR CB C 31 69.375 69.375 70.719 -1.344 25865
747 1 5 . 1 1 31 31 THR H H 31 9.118 9.118 8.295 0.823 25865
748 1 5 . 1 1 32 32 TRP N N 32 126.550 126.550 129.697 -3.147 25865
749 1 5 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.841 0.339 25865
750 1 5 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.530 1.870 25865
751 1 5 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.543 1.861 25865
752 1 5 . 1 1 32 32 TRP H H 32 8.773 8.773 8.708 0.065 25865
753 1 5 . 1 1 33 33 SER N N 33 117.395 117.395 124.007 -6.612 25865
754 1 5 . 1 1 33 33 SER HA H 33 4.540 4.540 4.657 -0.117 25865
755 1 5 . 1 1 33 33 SER CA C 33 58.340 58.340 57.676 0.664 25865
756 1 5 . 1 1 33 33 SER CB C 33 63.660 63.660 65.138 -1.478 25865
757 1 5 . 1 1 33 33 SER H H 33 8.597 8.597 8.572 0.025 25865
758 1 5 . 1 1 34 34 LYS N N 34 130.255 130.255 126.475 3.780 25865
759 1 5 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.768 -2.048 25865
760 1 5 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.785 0.765 25865
761 1 5 . 1 1 34 34 LYS CB C 34 32.920 32.920 31.510 1.410 25865
762 1 5 . 1 1 34 34 LYS H H 34 8.356 8.356 8.185 0.171 25865
763 1 5 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.513 -0.467 25865
764 1 5 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.571 -0.422 25865
765 1 5 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.789 -0.387 25865
766 1 5 . 1 1 36 36 THR N N 36 114.635 114.635 116.614 -1.979 25865
767 1 5 . 1 1 36 36 THR HA H 36 4.132 4.132 4.519 -0.387 25865
768 1 5 . 1 1 36 36 THR CA C 36 61.022 61.022 61.992 -0.970 25865
769 1 5 . 1 1 36 36 THR CB C 36 70.111 70.111 69.062 1.049 25865
770 1 5 . 1 1 36 36 THR H H 36 7.920 7.920 8.168 -0.248 25865
771 1 5 . 1 1 37 37 MET N N 37 123.471 123.471 119.315 4.156 25865
772 1 5 . 1 1 37 37 MET HA H 37 4.380 4.380 4.899 -0.519 25865
773 1 5 . 1 1 37 37 MET CA C 37 55.304 55.304 54.269 1.035 25865
774 1 5 . 1 1 37 37 MET CB C 37 32.931 32.931 35.115 -2.184 25865
775 1 5 . 1 1 37 37 MET H H 37 8.335 8.335 7.577 0.758 25865
776 1 5 . 1 1 38 38 GLU N N 38 123.085 123.085 122.330 0.755 25865
777 1 5 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.463 -0.083 25865
778 1 5 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.356 -0.680 25865
779 1 5 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.263 0.633 25865
780 1 5 . 1 1 38 38 GLU H H 38 8.355 8.355 8.408 -0.053 25865
781 1 6 . 1 1 5 5 GLY CA C 5 45.251 45.251 46.554 -1.303 25865
782 1 6 . 1 1 6 6 LEU N N 6 121.542 121.542 120.528 1.014 25865
783 1 6 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.792 -0.229 25865
784 1 6 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.940 0.345 25865
785 1 6 . 1 1 6 6 LEU CB C 6 42.398 42.398 40.953 1.444 25865
786 1 6 . 1 1 6 6 LEU H H 6 7.983 7.983 7.743 0.240 25865
787 1 6 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.535 0.223 25865
788 1 6 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.878 -0.678 25865
789 1 6 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.259 -1.559 25865
790 1 6 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.405 0.067 25865
791 1 6 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.474 -0.432 25865
792 1 6 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.799 -0.011 25865
793 1 6 . 1 1 9 9 GLY N N 9 113.830 113.830 110.414 3.416 25865
794 1 6 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.730 1.100 25865
795 1 6 . 1 1 9 9 GLY H H 9 9.018 9.018 8.579 0.439 25865
796 1 6 . 1 1 10 10 TRP N N 10 118.923 118.923 121.424 -2.501 25865
797 1 6 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.105 0.895 25865
798 1 6 . 1 1 10 10 TRP CA C 10 56.292 56.292 57.049 -0.757 25865
799 1 6 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.018 2.151 25865
800 1 6 . 1 1 10 10 TRP H H 10 7.694 7.694 8.066 -0.372 25865
801 1 6 . 1 1 11 11 GLU N N 11 121.415 121.415 124.641 -3.226 25865
802 1 6 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.712 0.046 25865
803 1 6 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.042 1.056 25865
804 1 6 . 1 1 11 11 GLU CB C 11 35.184 35.184 33.425 1.759 25865
805 1 6 . 1 1 11 11 GLU H H 11 9.367 9.367 8.606 0.761 25865
806 1 6 . 1 1 12 12 GLU N N 12 126.940 126.940 125.739 1.201 25865
807 1 6 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.810 -0.145 25865
808 1 6 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.702 -0.757 25865
809 1 6 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.160 1.635 25865
810 1 6 . 1 1 12 12 GLU H H 12 8.873 8.873 8.806 0.067 25865
811 1 6 . 1 1 13 13 LYS N N 13 128.576 128.576 124.789 3.787 25865
812 1 6 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.518 -0.142 25865
813 1 6 . 1 1 13 13 LYS CA C 13 54.167 54.167 53.885 0.282 25865
814 1 6 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.517 -0.557 25865
815 1 6 . 1 1 13 13 LYS H H 13 8.418 8.418 8.412 0.006 25865
816 1 6 . 1 1 14 14 GLN N N 14 116.724 116.724 117.875 -1.151 25865
817 1 6 . 1 1 14 14 GLN HA H 14 5.366 5.366 5.104 0.262 25865
818 1 6 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.575 0.985 25865
819 1 6 . 1 1 14 14 GLN CB C 14 32.540 32.540 30.361 2.179 25865
820 1 6 . 1 1 14 14 GLN H H 14 7.901 7.901 8.178 -0.277 25865
821 1 6 . 1 1 15 15 ASP N N 15 124.800 124.800 124.078 0.722 25865
822 1 6 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.806 0.049 25865
823 1 6 . 1 1 15 15 ASP CA C 15 52.600 52.600 55.160 -2.560 25865
824 1 6 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.812 -0.909 25865
825 1 6 . 1 1 15 15 ASP H H 15 9.127 9.127 8.791 0.336 25865
826 1 6 . 1 1 16 16 ASP N N 16 117.818 117.818 121.381 -3.563 25865
827 1 6 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.399 0.024 25865
828 1 6 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.713 -0.519 25865
829 1 6 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.965 -1.165 25865
830 1 6 . 1 1 16 16 ASP H H 16 8.524 8.524 8.823 -0.299 25865
831 1 6 . 1 1 17 17 ARG N N 17 119.990 119.990 117.619 2.371 25865
832 1 6 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.348 0.142 25865
833 1 6 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.416 -0.116 25865
834 1 6 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.262 0.338 25865
835 1 6 . 1 1 17 17 ARG H H 17 8.229 8.229 8.148 0.081 25865
836 1 6 . 1 1 18 18 GLY N N 18 109.964 109.964 107.780 2.184 25865
837 1 6 . 1 1 18 18 GLY CA C 18 45.430 45.430 45.129 0.301 25865
838 1 6 . 1 1 18 18 GLY H H 18 8.140 8.140 7.825 0.315 25865
839 1 6 . 1 1 19 19 ARG N N 19 124.871 124.871 118.846 6.025 25865
840 1 6 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.594 -0.137 25865
841 1 6 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.030 2.033 25865
842 1 6 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.555 -0.527 25865
843 1 6 . 1 1 19 19 ARG H H 19 8.825 8.825 7.992 0.833 25865
844 1 6 . 1 1 20 20 SER N N 20 122.965 122.965 117.830 5.135 25865
845 1 6 . 1 1 20 20 SER HA H 20 5.245 5.245 4.996 0.249 25865
846 1 6 . 1 1 20 20 SER CA C 20 59.856 59.856 57.730 2.126 25865
847 1 6 . 1 1 20 20 SER CB C 20 64.041 64.041 62.904 1.137 25865
848 1 6 . 1 1 20 20 SER H H 20 8.854 8.854 8.622 0.232 25865
849 1 6 . 1 1 21 21 TYR N N 21 120.834 120.834 123.942 -3.108 25865
850 1 6 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.734 -0.054 25865
851 1 6 . 1 1 21 21 TYR CA C 21 55.689 55.689 55.043 0.646 25865
852 1 6 . 1 1 21 21 TYR CB C 21 39.738 39.738 40.184 -0.446 25865
853 1 6 . 1 1 21 21 TYR H H 21 8.840 8.840 8.424 0.416 25865
854 1 6 . 1 1 22 22 TYR N N 22 118.070 118.070 117.570 0.500 25865
855 1 6 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.836 -0.637 25865
856 1 6 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.142 1.444 25865
857 1 6 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.334 -0.443 25865
858 1 6 . 1 1 22 22 TYR H H 22 9.009 9.009 8.925 0.084 25865
859 1 6 . 1 1 23 23 VAL N N 23 124.250 124.250 124.226 0.024 25865
860 1 6 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.587 -0.381 25865
861 1 6 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.706 1.298 25865
862 1 6 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.065 0.109 25865
863 1 6 . 1 1 23 23 VAL H H 23 9.292 9.292 8.616 0.676 25865
864 1 6 . 1 1 24 24 ASP N N 24 125.668 125.668 130.213 -4.545 25865
865 1 6 . 1 1 24 24 ASP HA H 24 3.701 3.701 3.805 -0.104 25865
866 1 6 . 1 1 24 24 ASP CA C 24 51.144 51.144 53.037 -1.893 25865
867 1 6 . 1 1 24 24 ASP CB C 24 39.002 39.002 40.801 -1.799 25865
868 1 6 . 1 1 24 24 ASP H H 24 8.200 8.200 8.366 -0.166 25865
869 1 6 . 1 1 25 25 HIS N N 25 124.047 124.047 126.902 -2.855 25865
870 1 6 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.468 -0.198 25865
871 1 6 . 1 1 25 25 HIS CA C 25 58.737 58.737 57.523 1.214 25865
872 1 6 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.049 0.212 25865
873 1 6 . 1 1 25 25 HIS H H 25 8.789 8.789 8.516 0.273 25865
874 1 6 . 1 1 26 26 ASN N N 26 117.400 117.400 118.527 -1.127 25865
875 1 6 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.593 -0.153 25865
876 1 6 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.502 0.190 25865
877 1 6 . 1 1 26 26 ASN CB C 26 38.236 38.236 38.889 -0.653 25865
878 1 6 . 1 1 26 26 ASN H H 26 8.300 8.300 8.397 -0.097 25865
879 1 6 . 1 1 27 27 SER N N 27 111.903 111.903 113.661 -1.758 25865
880 1 6 . 1 1 27 27 SER HA H 27 4.282 4.282 4.471 -0.189 25865
881 1 6 . 1 1 27 27 SER CA C 27 57.983 57.983 58.537 -0.554 25865
882 1 6 . 1 1 27 27 SER CB C 27 64.052 64.052 64.235 -0.183 25865
883 1 6 . 1 1 27 27 SER H H 27 6.846 6.846 8.579 -1.733 25865
884 1 6 . 1 1 28 28 LYS N N 28 120.494 120.494 118.762 1.732 25865
885 1 6 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.009 0.126 25865
886 1 6 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.318 -0.480 25865
887 1 6 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.630 -1.262 25865
888 1 6 . 1 1 28 28 LYS H H 28 7.710 7.710 7.437 0.273 25865
889 1 6 . 1 1 29 29 THR N N 29 110.416 110.416 117.015 -6.599 25865
890 1 6 . 1 1 29 29 THR HA H 29 4.680 4.680 4.428 0.252 25865
891 1 6 . 1 1 29 29 THR CA C 29 60.400 60.400 61.281 -0.881 25865
892 1 6 . 1 1 29 29 THR CB C 29 72.000 72.000 71.888 0.112 25865
893 1 6 . 1 1 29 29 THR H H 29 7.247 7.247 8.156 -0.909 25865
894 1 6 . 1 1 30 30 THR N N 30 112.268 112.268 123.220 -10.952 25865
895 1 6 . 1 1 30 30 THR HA H 30 5.457 5.457 4.208 1.249 25865
896 1 6 . 1 1 30 30 THR CA C 30 59.600 59.600 63.439 -3.839 25865
897 1 6 . 1 1 30 30 THR CB C 30 71.800 71.800 69.133 2.667 25865
898 1 6 . 1 1 30 30 THR H H 30 8.117 8.117 8.346 -0.229 25865
899 1 6 . 1 1 31 31 THR N N 31 115.637 115.637 119.796 -4.159 25865
900 1 6 . 1 1 31 31 THR HA H 31 4.758 4.758 4.446 0.312 25865
901 1 6 . 1 1 31 31 THR CA C 31 59.477 59.477 59.600 -0.123 25865
902 1 6 . 1 1 31 31 THR CB C 31 69.375 69.375 70.050 -0.675 25865
903 1 6 . 1 1 31 31 THR H H 31 9.118 9.118 8.302 0.816 25865
904 1 6 . 1 1 32 32 TRP N N 32 126.550 126.550 123.572 2.978 25865
905 1 6 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.795 0.385 25865
906 1 6 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.670 1.730 25865
907 1 6 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.303 2.101 25865
908 1 6 . 1 1 32 32 TRP H H 32 8.773 8.773 7.455 1.318 25865
909 1 6 . 1 1 33 33 SER N N 33 117.395 117.395 117.371 0.024 25865
910 1 6 . 1 1 33 33 SER HA H 33 4.540 4.540 4.525 0.015 25865
911 1 6 . 1 1 33 33 SER CA C 33 58.340 58.340 59.614 -1.274 25865
912 1 6 . 1 1 33 33 SER CB C 33 63.660 63.660 63.135 0.525 25865
913 1 6 . 1 1 33 33 SER H H 33 8.597 8.597 8.524 0.073 25865
914 1 6 . 1 1 34 34 LYS N N 34 130.255 130.255 126.746 3.509 25865
915 1 6 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.730 -2.010 25865
916 1 6 . 1 1 34 34 LYS CA C 34 54.550 54.550 52.905 1.645 25865
917 1 6 . 1 1 34 34 LYS CB C 34 32.920 32.920 31.949 0.971 25865
918 1 6 . 1 1 34 34 LYS H H 34 8.356 8.356 8.726 -0.370 25865
919 1 6 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.212 -0.166 25865
920 1 6 . 1 1 35 35 PRO CA C 35 62.149 62.149 63.629 -1.480 25865
921 1 6 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.730 -0.328 25865
922 1 6 . 1 1 36 36 THR N N 36 114.635 114.635 117.397 -2.762 25865
923 1 6 . 1 1 36 36 THR HA H 36 4.132 4.132 4.683 -0.551 25865
924 1 6 . 1 1 36 36 THR CA C 36 61.022 61.022 60.453 0.569 25865
925 1 6 . 1 1 36 36 THR CB C 36 70.111 70.111 71.291 -1.180 25865
926 1 6 . 1 1 36 36 THR H H 36 7.920 7.920 8.067 -0.147 25865
927 1 6 . 1 1 37 37 MET N N 37 123.471 123.471 124.746 -1.275 25865
928 1 6 . 1 1 37 37 MET HA H 37 4.380 4.380 4.462 -0.082 25865
929 1 6 . 1 1 37 37 MET CA C 37 55.304 55.304 55.684 -0.380 25865
930 1 6 . 1 1 37 37 MET CB C 37 32.931 32.931 33.502 -0.570 25865
931 1 6 . 1 1 37 37 MET H H 37 8.335 8.335 8.692 -0.357 25865
932 1 6 . 1 1 38 38 GLU N N 38 123.085 123.085 122.956 0.129 25865
933 1 6 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.266 0.114 25865
934 1 6 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.327 -0.651 25865
935 1 6 . 1 1 38 38 GLU CB C 38 29.896 29.896 28.135 1.761 25865
936 1 6 . 1 1 38 38 GLU H H 38 8.355 8.355 8.536 -0.181 25865
937 1 7 . 1 1 5 5 GLY CA C 5 45.251 45.251 45.201 0.050 25865
938 1 7 . 1 1 6 6 LEU N N 6 121.542 121.542 119.682 1.860 25865
939 1 7 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.648 -0.085 25865
940 1 7 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.325 0.959 25865
941 1 7 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.662 0.736 25865
942 1 7 . 1 1 6 6 LEU H H 6 7.983 7.983 8.167 -0.184 25865
943 1 7 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.462 0.296 25865
944 1 7 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.383 -0.183 25865
945 1 7 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.476 -0.776 25865
946 1 7 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.372 0.100 25865
947 1 7 . 1 1 8 8 PRO CA C 8 64.042 64.042 63.912 0.130 25865
948 1 7 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.466 0.322 25865
949 1 7 . 1 1 9 9 GLY N N 9 113.830 113.830 112.154 1.676 25865
950 1 7 . 1 1 9 9 GLY CA C 9 45.830 45.830 45.022 0.808 25865
951 1 7 . 1 1 9 9 GLY H H 9 9.018 9.018 8.800 0.218 25865
952 1 7 . 1 1 10 10 TRP N N 10 118.923 118.923 120.243 -1.320 25865
953 1 7 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.611 0.389 25865
954 1 7 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.084 1.208 25865
955 1 7 . 1 1 10 10 TRP CB C 10 32.169 32.169 31.184 0.985 25865
956 1 7 . 1 1 10 10 TRP H H 10 7.694 7.694 7.885 -0.191 25865
957 1 7 . 1 1 11 11 GLU N N 11 121.415 121.415 123.022 -1.607 25865
958 1 7 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.848 -0.090 25865
959 1 7 . 1 1 11 11 GLU CA C 11 55.098 55.098 53.964 1.134 25865
960 1 7 . 1 1 11 11 GLU CB C 11 35.184 35.184 33.045 2.139 25865
961 1 7 . 1 1 11 11 GLU H H 11 9.367 9.367 8.788 0.579 25865
962 1 7 . 1 1 12 12 GLU N N 12 126.940 126.940 121.539 5.401 25865
963 1 7 . 1 1 12 12 GLU HA H 12 4.665 4.665 5.069 -0.404 25865
964 1 7 . 1 1 12 12 GLU CA C 12 54.945 54.945 54.542 0.403 25865
965 1 7 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.113 1.682 25865
966 1 7 . 1 1 12 12 GLU H H 12 8.873 8.873 8.592 0.281 25865
967 1 7 . 1 1 13 13 LYS N N 13 128.576 128.576 122.954 5.622 25865
968 1 7 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.683 -0.307 25865
969 1 7 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.566 -0.399 25865
970 1 7 . 1 1 13 13 LYS CB C 13 35.960 35.960 34.753 1.207 25865
971 1 7 . 1 1 13 13 LYS H H 13 8.418 8.418 8.751 -0.333 25865
972 1 7 . 1 1 14 14 GLN N N 14 116.724 116.724 119.005 -2.281 25865
973 1 7 . 1 1 14 14 GLN HA H 14 5.366 5.366 5.057 0.309 25865
974 1 7 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.218 0.342 25865
975 1 7 . 1 1 14 14 GLN CB C 14 32.540 32.540 31.514 1.026 25865
976 1 7 . 1 1 14 14 GLN H H 14 7.901 7.901 8.359 -0.458 25865
977 1 7 . 1 1 15 15 ASP N N 15 124.800 124.800 120.936 3.864 25865
978 1 7 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.178 0.677 25865
979 1 7 . 1 1 15 15 ASP CA C 15 52.600 52.600 52.849 -0.249 25865
980 1 7 . 1 1 15 15 ASP CB C 15 40.903 40.903 40.957 -0.054 25865
981 1 7 . 1 1 15 15 ASP H H 15 9.127 9.127 8.020 1.107 25865
982 1 7 . 1 1 16 16 ASP N N 16 117.818 117.818 117.471 0.347 25865
983 1 7 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.416 0.007 25865
984 1 7 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.274 -0.080 25865
985 1 7 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.837 -1.037 25865
986 1 7 . 1 1 16 16 ASP H H 16 8.524 8.524 8.443 0.081 25865
987 1 7 . 1 1 17 17 ARG N N 17 119.990 119.990 118.154 1.836 25865
988 1 7 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.397 0.093 25865
989 1 7 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.722 -0.422 25865
990 1 7 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.672 -0.072 25865
991 1 7 . 1 1 17 17 ARG H H 17 8.229 8.229 7.975 0.254 25865
992 1 7 . 1 1 18 18 GLY N N 18 109.964 109.964 108.113 1.851 25865
993 1 7 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.917 0.513 25865
994 1 7 . 1 1 18 18 GLY H H 18 8.140 8.140 7.649 0.491 25865
995 1 7 . 1 1 19 19 ARG N N 19 124.871 124.871 120.626 4.245 25865
996 1 7 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.546 -0.089 25865
997 1 7 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.742 1.321 25865
998 1 7 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.569 -0.542 25865
999 1 7 . 1 1 19 19 ARG H H 19 8.825 8.825 8.832 -0.007 25865
1000 1 7 . 1 1 20 20 SER N N 20 122.965 122.965 120.526 2.439 25865
1001 1 7 . 1 1 20 20 SER HA H 20 5.245 5.245 5.162 0.083 25865
1002 1 7 . 1 1 20 20 SER CA C 20 59.856 59.856 58.122 1.734 25865
1003 1 7 . 1 1 20 20 SER CB C 20 64.041 64.041 62.876 1.165 25865
1004 1 7 . 1 1 20 20 SER H H 20 8.854 8.854 8.781 0.073 25865
1005 1 7 . 1 1 21 21 TYR N N 21 120.834 120.834 123.511 -2.677 25865
1006 1 7 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.287 0.393 25865
1007 1 7 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.058 1.631 25865
1008 1 7 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.133 0.605 25865
1009 1 7 . 1 1 21 21 TYR H H 21 8.840 8.840 9.044 -0.204 25865
1010 1 7 . 1 1 22 22 TYR N N 22 118.070 118.070 116.619 1.451 25865
1011 1 7 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.426 -0.227 25865
1012 1 7 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.016 1.569 25865
1013 1 7 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.203 -0.312 25865
1014 1 7 . 1 1 22 22 TYR H H 22 9.009 9.009 8.008 1.001 25865
1015 1 7 . 1 1 23 23 VAL N N 23 124.250 124.250 120.786 3.464 25865
1016 1 7 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.442 -0.236 25865
1017 1 7 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.172 1.831 25865
1018 1 7 . 1 1 23 23 VAL CB C 23 34.173 34.173 35.548 -1.375 25865
1019 1 7 . 1 1 23 23 VAL H H 23 9.292 9.292 8.638 0.654 25865
1020 1 7 . 1 1 24 24 ASP N N 24 125.668 125.668 128.705 -3.037 25865
1021 1 7 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.697 -0.996 25865
1022 1 7 . 1 1 24 24 ASP CA C 24 51.144 51.144 51.938 -0.794 25865
1023 1 7 . 1 1 24 24 ASP CB C 24 39.002 39.002 42.672 -3.670 25865
1024 1 7 . 1 1 24 24 ASP H H 24 8.200 8.200 8.137 0.063 25865
1025 1 7 . 1 1 25 25 HIS N N 25 124.047 124.047 124.910 -0.863 25865
1026 1 7 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.376 -0.106 25865
1027 1 7 . 1 1 25 25 HIS CA C 25 58.737 58.737 58.566 0.170 25865
1028 1 7 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.427 -0.166 25865
1029 1 7 . 1 1 25 25 HIS H H 25 8.789 8.789 8.811 -0.022 25865
1030 1 7 . 1 1 26 26 ASN N N 26 117.400 117.400 117.448 -0.048 25865
1031 1 7 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.699 -0.259 25865
1032 1 7 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.840 -0.148 25865
1033 1 7 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.455 -1.219 25865
1034 1 7 . 1 1 26 26 ASN H H 26 8.300 8.300 8.390 -0.090 25865
1035 1 7 . 1 1 27 27 SER N N 27 111.903 111.903 113.297 -1.394 25865
1036 1 7 . 1 1 27 27 SER HA H 27 4.282 4.282 4.657 -0.375 25865
1037 1 7 . 1 1 27 27 SER CA C 27 57.983 57.983 58.522 -0.539 25865
1038 1 7 . 1 1 27 27 SER CB C 27 64.052 64.052 63.953 0.099 25865
1039 1 7 . 1 1 27 27 SER H H 27 6.846 6.846 8.988 -2.142 25865
1040 1 7 . 1 1 28 28 LYS N N 28 120.494 120.494 117.080 3.414 25865
1041 1 7 . 1 1 28 28 LYS HA H 28 4.135 4.135 3.887 0.248 25865
1042 1 7 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.730 -0.892 25865
1043 1 7 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.647 -1.279 25865
1044 1 7 . 1 1 28 28 LYS H H 28 7.710 7.710 7.730 -0.020 25865
1045 1 7 . 1 1 29 29 THR N N 29 110.416 110.416 115.899 -5.483 25865
1046 1 7 . 1 1 29 29 THR HA H 29 4.680 4.680 4.319 0.361 25865
1047 1 7 . 1 1 29 29 THR CA C 29 60.400 60.400 62.081 -1.681 25865
1048 1 7 . 1 1 29 29 THR CB C 29 72.000 72.000 70.028 1.972 25865
1049 1 7 . 1 1 29 29 THR H H 29 7.247 7.247 7.428 -0.181 25865
1050 1 7 . 1 1 30 30 THR N N 30 112.268 112.268 124.217 -11.949 25865
1051 1 7 . 1 1 30 30 THR HA H 30 5.457 5.457 4.734 0.723 25865
1052 1 7 . 1 1 30 30 THR CA C 30 59.600 59.600 61.528 -1.928 25865
1053 1 7 . 1 1 30 30 THR CB C 30 71.800 71.800 69.470 2.330 25865
1054 1 7 . 1 1 30 30 THR H H 30 8.117 8.117 8.558 -0.441 25865
1055 1 7 . 1 1 31 31 THR N N 31 115.637 115.637 120.156 -4.519 25865
1056 1 7 . 1 1 31 31 THR HA H 31 4.758 4.758 4.662 0.096 25865
1057 1 7 . 1 1 31 31 THR CA C 31 59.477 59.477 61.056 -1.579 25865
1058 1 7 . 1 1 31 31 THR CB C 31 69.375 69.375 70.895 -1.520 25865
1059 1 7 . 1 1 31 31 THR H H 31 9.118 9.118 8.501 0.617 25865
1060 1 7 . 1 1 32 32 TRP N N 32 126.550 126.550 125.382 1.168 25865
1061 1 7 . 1 1 32 32 TRP HA H 32 5.180 5.180 5.053 0.127 25865
1062 1 7 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.799 1.601 25865
1063 1 7 . 1 1 32 32 TRP CB C 32 31.404 31.404 30.171 1.233 25865
1064 1 7 . 1 1 32 32 TRP H H 32 8.773 8.773 8.586 0.187 25865
1065 1 7 . 1 1 33 33 SER N N 33 117.395 117.395 121.993 -4.598 25865
1066 1 7 . 1 1 33 33 SER HA H 33 4.540 4.540 4.988 -0.448 25865
1067 1 7 . 1 1 33 33 SER CA C 33 58.340 58.340 57.501 0.839 25865
1068 1 7 . 1 1 33 33 SER CB C 33 63.660 63.660 65.029 -1.369 25865
1069 1 7 . 1 1 33 33 SER H H 33 8.597 8.597 8.094 0.503 25865
1070 1 7 . 1 1 34 34 LYS N N 34 130.255 130.255 127.705 2.550 25865
1071 1 7 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.519 -1.799 25865
1072 1 7 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.395 1.155 25865
1073 1 7 . 1 1 34 34 LYS CB C 34 32.920 32.920 33.402 -0.482 25865
1074 1 7 . 1 1 34 34 LYS H H 34 8.356 8.356 8.677 -0.321 25865
1075 1 7 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.266 -0.220 25865
1076 1 7 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.976 -0.827 25865
1077 1 7 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.969 -0.567 25865
1078 1 7 . 1 1 36 36 THR N N 36 114.635 114.635 114.589 0.046 25865
1079 1 7 . 1 1 36 36 THR HA H 36 4.132 4.132 4.504 -0.372 25865
1080 1 7 . 1 1 36 36 THR CA C 36 61.022 61.022 61.031 -0.009 25865
1081 1 7 . 1 1 36 36 THR CB C 36 70.111 70.111 69.919 0.192 25865
1082 1 7 . 1 1 36 36 THR H H 36 7.920 7.920 7.824 0.096 25865
1083 1 7 . 1 1 37 37 MET N N 37 123.471 123.471 118.267 5.204 25865
1084 1 7 . 1 1 37 37 MET HA H 37 4.380 4.380 4.215 0.165 25865
1085 1 7 . 1 1 37 37 MET CA C 37 55.304 55.304 56.138 -0.834 25865
1086 1 7 . 1 1 37 37 MET CB C 37 32.931 32.931 32.286 0.645 25865
1087 1 7 . 1 1 37 37 MET H H 37 8.335 8.335 8.361 -0.026 25865
1088 1 7 . 1 1 38 38 GLU N N 38 123.085 123.085 121.554 1.531 25865
1089 1 7 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.551 -0.171 25865
1090 1 7 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.224 -0.548 25865
1091 1 7 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.876 0.020 25865
1092 1 7 . 1 1 38 38 GLU H H 38 8.355 8.355 8.318 0.037 25865
1093 1 8 . 1 1 5 5 GLY CA C 5 45.251 45.251 44.541 0.710 25865
1094 1 8 . 1 1 6 6 LEU N N 6 121.542 121.542 125.619 -4.077 25865
1095 1 8 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.416 0.147 25865
1096 1 8 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.766 0.518 25865
1097 1 8 . 1 1 6 6 LEU CB C 6 42.398 42.398 42.858 -0.460 25865
1098 1 8 . 1 1 6 6 LEU H H 6 7.983 7.983 8.009 -0.026 25865
1099 1 8 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.289 0.469 25865
1100 1 8 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.410 -0.210 25865
1101 1 8 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.514 -0.814 25865
1102 1 8 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.229 0.243 25865
1103 1 8 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.339 -0.297 25865
1104 1 8 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.421 0.367 25865
1105 1 8 . 1 1 9 9 GLY N N 9 113.830 113.830 110.952 2.878 25865
1106 1 8 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.906 0.924 25865
1107 1 8 . 1 1 9 9 GLY H H 9 9.018 9.018 8.362 0.656 25865
1108 1 8 . 1 1 10 10 TRP N N 10 118.923 118.923 121.089 -2.166 25865
1109 1 8 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.382 0.618 25865
1110 1 8 . 1 1 10 10 TRP CA C 10 56.292 56.292 56.332 -0.040 25865
1111 1 8 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.041 2.128 25865
1112 1 8 . 1 1 10 10 TRP H H 10 7.694 7.694 7.981 -0.287 25865
1113 1 8 . 1 1 11 11 GLU N N 11 121.415 121.415 122.329 -0.914 25865
1114 1 8 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.833 -0.075 25865
1115 1 8 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.628 0.470 25865
1116 1 8 . 1 1 11 11 GLU CB C 11 35.184 35.184 34.148 1.036 25865
1117 1 8 . 1 1 11 11 GLU H H 11 9.367 9.367 8.480 0.887 25865
1118 1 8 . 1 1 12 12 GLU N N 12 126.940 126.940 121.691 5.249 25865
1119 1 8 . 1 1 12 12 GLU HA H 12 4.665 4.665 5.123 -0.458 25865
1120 1 8 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.597 -0.652 25865
1121 1 8 . 1 1 12 12 GLU CB C 12 31.795 31.795 31.732 0.063 25865
1122 1 8 . 1 1 12 12 GLU H H 12 8.873 8.873 8.710 0.163 25865
1123 1 8 . 1 1 13 13 LYS N N 13 128.576 128.576 123.995 4.581 25865
1124 1 8 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.643 -0.267 25865
1125 1 8 . 1 1 13 13 LYS CA C 13 54.167 54.167 55.067 -0.900 25865
1126 1 8 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.597 -0.637 25865
1127 1 8 . 1 1 13 13 LYS H H 13 8.418 8.418 8.947 -0.529 25865
1128 1 8 . 1 1 14 14 GLN N N 14 116.724 116.724 117.317 -0.593 25865
1129 1 8 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.821 0.545 25865
1130 1 8 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.797 0.763 25865
1131 1 8 . 1 1 14 14 GLN CB C 14 32.540 32.540 31.829 0.711 25865
1132 1 8 . 1 1 14 14 GLN H H 14 7.901 7.901 8.310 -0.409 25865
1133 1 8 . 1 1 15 15 ASP N N 15 124.800 124.800 119.569 5.231 25865
1134 1 8 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.275 0.580 25865
1135 1 8 . 1 1 15 15 ASP CA C 15 52.600 52.600 52.660 -0.060 25865
1136 1 8 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.915 -1.012 25865
1137 1 8 . 1 1 15 15 ASP H H 15 9.127 9.127 7.908 1.219 25865
1138 1 8 . 1 1 16 16 ASP N N 16 117.818 117.818 117.128 0.690 25865
1139 1 8 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.600 -0.177 25865
1140 1 8 . 1 1 16 16 ASP CA C 16 56.194 56.194 54.879 1.315 25865
1141 1 8 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.962 -1.162 25865
1142 1 8 . 1 1 16 16 ASP H H 16 8.524 8.524 8.446 0.078 25865
1143 1 8 . 1 1 17 17 ARG N N 17 119.990 119.990 118.797 1.193 25865
1144 1 8 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.338 0.152 25865
1145 1 8 . 1 1 17 17 ARG CA C 17 55.300 55.300 56.781 -1.481 25865
1146 1 8 . 1 1 17 17 ARG CB C 17 30.600 30.600 31.505 -0.905 25865
1147 1 8 . 1 1 17 17 ARG H H 17 8.229 8.229 8.505 -0.276 25865
1148 1 8 . 1 1 18 18 GLY N N 18 109.964 109.964 106.812 3.152 25865
1149 1 8 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.403 1.027 25865
1150 1 8 . 1 1 18 18 GLY H H 18 8.140 8.140 8.366 -0.226 25865
1151 1 8 . 1 1 19 19 ARG N N 19 124.871 124.871 121.284 3.587 25865
1152 1 8 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.525 -0.068 25865
1153 1 8 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.314 1.749 25865
1154 1 8 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.789 -0.762 25865
1155 1 8 . 1 1 19 19 ARG H H 19 8.825 8.825 9.142 -0.317 25865
1156 1 8 . 1 1 20 20 SER N N 20 122.965 122.965 122.333 0.632 25865
1157 1 8 . 1 1 20 20 SER HA H 20 5.245 5.245 4.868 0.377 25865
1158 1 8 . 1 1 20 20 SER CA C 20 59.856 59.856 58.632 1.224 25865
1159 1 8 . 1 1 20 20 SER CB C 20 64.041 64.041 62.914 1.127 25865
1160 1 8 . 1 1 20 20 SER H H 20 8.854 8.854 8.818 0.036 25865
1161 1 8 . 1 1 21 21 TYR N N 21 120.834 120.834 123.763 -2.929 25865
1162 1 8 . 1 1 21 21 TYR HA H 21 4.680 4.680 5.167 -0.487 25865
1163 1 8 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.379 1.310 25865
1164 1 8 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.496 0.242 25865
1165 1 8 . 1 1 21 21 TYR H H 21 8.840 8.840 8.709 0.131 25865
1166 1 8 . 1 1 22 22 TYR N N 22 118.070 118.070 115.846 2.224 25865
1167 1 8 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.614 -0.415 25865
1168 1 8 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.199 1.386 25865
1169 1 8 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.910 -1.019 25865
1170 1 8 . 1 1 22 22 TYR H H 22 9.009 9.009 7.820 1.189 25865
1171 1 8 . 1 1 23 23 VAL N N 23 124.250 124.250 120.301 3.949 25865
1172 1 8 . 1 1 23 23 VAL HA H 23 4.206 4.206 3.991 0.215 25865
1173 1 8 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.088 1.915 25865
1174 1 8 . 1 1 23 23 VAL CB C 23 34.173 34.173 35.004 -0.831 25865
1175 1 8 . 1 1 23 23 VAL H H 23 9.292 9.292 8.672 0.620 25865
1176 1 8 . 1 1 24 24 ASP N N 24 125.668 125.668 130.206 -4.538 25865
1177 1 8 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.654 -0.953 25865
1178 1 8 . 1 1 24 24 ASP CA C 24 51.144 51.144 54.047 -2.903 25865
1179 1 8 . 1 1 24 24 ASP CB C 24 39.002 39.002 41.061 -2.059 25865
1180 1 8 . 1 1 24 24 ASP H H 24 8.200 8.200 8.217 -0.017 25865
1181 1 8 . 1 1 25 25 HIS N N 25 124.047 124.047 122.780 1.267 25865
1182 1 8 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.354 -0.084 25865
1183 1 8 . 1 1 25 25 HIS CA C 25 58.737 58.737 59.116 -0.379 25865
1184 1 8 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.095 0.167 25865
1185 1 8 . 1 1 25 25 HIS H H 25 8.789 8.789 8.557 0.232 25865
1186 1 8 . 1 1 26 26 ASN N N 26 117.400 117.400 118.145 -0.745 25865
1187 1 8 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.514 -0.074 25865
1188 1 8 . 1 1 26 26 ASN CA C 26 55.692 55.692 56.478 -0.786 25865
1189 1 8 . 1 1 26 26 ASN CB C 26 38.236 38.236 38.311 -0.075 25865
1190 1 8 . 1 1 26 26 ASN H H 26 8.300 8.300 8.565 -0.265 25865
1191 1 8 . 1 1 27 27 SER N N 27 111.903 111.903 112.943 -1.040 25865
1192 1 8 . 1 1 27 27 SER HA H 27 4.282 4.282 4.533 -0.251 25865
1193 1 8 . 1 1 27 27 SER CA C 27 57.983 57.983 58.077 -0.094 25865
1194 1 8 . 1 1 27 27 SER CB C 27 64.052 64.052 63.507 0.545 25865
1195 1 8 . 1 1 27 27 SER H H 27 6.846 6.846 8.024 -1.178 25865
1196 1 8 . 1 1 28 28 LYS N N 28 120.494 120.494 118.258 2.236 25865
1197 1 8 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.085 0.050 25865
1198 1 8 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.532 -0.694 25865
1199 1 8 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.856 -1.488 25865
1200 1 8 . 1 1 28 28 LYS H H 28 7.710 7.710 7.959 -0.249 25865
1201 1 8 . 1 1 29 29 THR N N 29 110.416 110.416 109.571 0.845 25865
1202 1 8 . 1 1 29 29 THR HA H 29 4.680 4.680 4.388 0.292 25865
1203 1 8 . 1 1 29 29 THR CA C 29 60.400 60.400 59.640 0.760 25865
1204 1 8 . 1 1 29 29 THR CB C 29 72.000 72.000 71.534 0.466 25865
1205 1 8 . 1 1 29 29 THR H H 29 7.247 7.247 7.211 0.036 25865
1206 1 8 . 1 1 30 30 THR N N 30 112.268 112.268 114.537 -2.269 25865
1207 1 8 . 1 1 30 30 THR HA H 30 5.457 5.457 4.127 1.330 25865
1208 1 8 . 1 1 30 30 THR CA C 30 59.600 59.600 59.986 -0.386 25865
1209 1 8 . 1 1 30 30 THR CB C 30 71.800 71.800 70.306 1.494 25865
1210 1 8 . 1 1 30 30 THR H H 30 8.117 8.117 7.871 0.246 25865
1211 1 8 . 1 1 31 31 THR N N 31 115.637 115.637 119.361 -3.724 25865
1212 1 8 . 1 1 31 31 THR HA H 31 4.758 4.758 4.496 0.262 25865
1213 1 8 . 1 1 31 31 THR CA C 31 59.477 59.477 58.909 0.568 25865
1214 1 8 . 1 1 31 31 THR CB C 31 69.375 69.375 69.622 -0.247 25865
1215 1 8 . 1 1 31 31 THR H H 31 9.118 9.118 8.170 0.948 25865
1216 1 8 . 1 1 32 32 TRP N N 32 126.550 126.550 120.726 5.824 25865
1217 1 8 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.858 0.322 25865
1218 1 8 . 1 1 32 32 TRP CA C 32 58.400 58.400 55.920 2.480 25865
1219 1 8 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.390 2.014 25865
1220 1 8 . 1 1 32 32 TRP H H 32 8.773 8.773 7.329 1.444 25865
1221 1 8 . 1 1 33 33 SER N N 33 117.395 117.395 116.157 1.238 25865
1222 1 8 . 1 1 33 33 SER HA H 33 4.540 4.540 4.456 0.084 25865
1223 1 8 . 1 1 33 33 SER CA C 33 58.340 58.340 59.040 -0.700 25865
1224 1 8 . 1 1 33 33 SER CB C 33 63.660 63.660 64.402 -0.742 25865
1225 1 8 . 1 1 33 33 SER H H 33 8.597 8.597 8.477 0.120 25865
1226 1 8 . 1 1 34 34 LYS N N 34 130.255 130.255 126.035 4.220 25865
1227 1 8 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.519 -1.799 25865
1228 1 8 . 1 1 34 34 LYS CA C 34 54.550 54.550 56.909 -2.359 25865
1229 1 8 . 1 1 34 34 LYS CB C 34 32.920 32.920 32.805 0.115 25865
1230 1 8 . 1 1 34 34 LYS H H 34 8.356 8.356 9.162 -0.806 25865
1231 1 8 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.804 -0.758 25865
1232 1 8 . 1 1 35 35 PRO CA C 35 62.149 62.149 64.126 -1.977 25865
1233 1 8 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.727 -0.325 25865
1234 1 8 . 1 1 36 36 THR N N 36 114.635 114.635 113.988 0.647 25865
1235 1 8 . 1 1 36 36 THR HA H 36 4.132 4.132 4.685 -0.553 25865
1236 1 8 . 1 1 36 36 THR CA C 36 61.022 61.022 61.139 -0.117 25865
1237 1 8 . 1 1 36 36 THR CB C 36 70.111 70.111 68.756 1.355 25865
1238 1 8 . 1 1 36 36 THR H H 36 7.920 7.920 8.266 -0.346 25865
1239 1 8 . 1 1 37 37 MET N N 37 123.471 123.471 122.289 1.182 25865
1240 1 8 . 1 1 37 37 MET HA H 37 4.380 4.380 4.723 -0.343 25865
1241 1 8 . 1 1 37 37 MET CA C 37 55.304 55.304 54.444 0.860 25865
1242 1 8 . 1 1 37 37 MET CB C 37 32.931 32.931 34.963 -2.032 25865
1243 1 8 . 1 1 37 37 MET H H 37 8.335 8.335 7.811 0.524 25865
1244 1 8 . 1 1 38 38 GLU N N 38 123.085 123.085 121.809 1.276 25865
1245 1 8 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.315 0.065 25865
1246 1 8 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.751 -1.075 25865
1247 1 8 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.155 0.741 25865
1248 1 8 . 1 1 38 38 GLU H H 38 8.355 8.355 8.359 -0.004 25865
1249 1 9 . 1 1 5 5 GLY CA C 5 45.251 45.251 44.485 0.766 25865
1250 1 9 . 1 1 6 6 LEU N N 6 121.542 121.542 124.118 -2.576 25865
1251 1 9 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.457 0.106 25865
1252 1 9 . 1 1 6 6 LEU CA C 6 52.284 52.284 53.100 -0.816 25865
1253 1 9 . 1 1 6 6 LEU CB C 6 42.398 42.398 42.160 0.238 25865
1254 1 9 . 1 1 6 6 LEU H H 6 7.983 7.983 7.552 0.431 25865
1255 1 9 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.553 0.205 25865
1256 1 9 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.273 -0.073 25865
1257 1 9 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.797 -1.097 25865
1258 1 9 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.303 0.169 25865
1259 1 9 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.534 -0.492 25865
1260 1 9 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.172 0.616 25865
1261 1 9 . 1 1 9 9 GLY N N 9 113.830 113.830 110.866 2.964 25865
1262 1 9 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.920 0.910 25865
1263 1 9 . 1 1 9 9 GLY H H 9 9.018 9.018 8.418 0.600 25865
1264 1 9 . 1 1 10 10 TRP N N 10 118.923 118.923 121.367 -2.444 25865
1265 1 9 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.347 0.653 25865
1266 1 9 . 1 1 10 10 TRP CA C 10 56.292 56.292 56.417 -0.125 25865
1267 1 9 . 1 1 10 10 TRP CB C 10 32.169 32.169 29.920 2.249 25865
1268 1 9 . 1 1 10 10 TRP H H 10 7.694 7.694 8.141 -0.447 25865
1269 1 9 . 1 1 11 11 GLU N N 11 121.415 121.415 124.725 -3.310 25865
1270 1 9 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.844 -0.086 25865
1271 1 9 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.164 0.934 25865
1272 1 9 . 1 1 11 11 GLU CB C 11 35.184 35.184 34.015 1.169 25865
1273 1 9 . 1 1 11 11 GLU H H 11 9.367 9.367 8.733 0.634 25865
1274 1 9 . 1 1 12 12 GLU N N 12 126.940 126.940 126.052 0.888 25865
1275 1 9 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.800 -0.135 25865
1276 1 9 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.541 -0.596 25865
1277 1 9 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.556 1.238 25865
1278 1 9 . 1 1 12 12 GLU H H 12 8.873 8.873 8.893 -0.020 25865
1279 1 9 . 1 1 13 13 LYS N N 13 128.576 128.576 125.376 3.200 25865
1280 1 9 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.623 -0.247 25865
1281 1 9 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.184 -0.016 25865
1282 1 9 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.995 -1.035 25865
1283 1 9 . 1 1 13 13 LYS H H 13 8.418 8.418 8.449 -0.031 25865
1284 1 9 . 1 1 14 14 GLN N N 14 116.724 116.724 116.782 -0.058 25865
1285 1 9 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.975 0.391 25865
1286 1 9 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.608 0.952 25865
1287 1 9 . 1 1 14 14 GLN CB C 14 32.540 32.540 32.517 0.023 25865
1288 1 9 . 1 1 14 14 GLN H H 14 7.901 7.901 8.261 -0.360 25865
1289 1 9 . 1 1 15 15 ASP N N 15 124.800 124.800 121.626 3.174 25865
1290 1 9 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.816 0.039 25865
1291 1 9 . 1 1 15 15 ASP CA C 15 52.600 52.600 53.327 -0.727 25865
1292 1 9 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.688 -0.785 25865
1293 1 9 . 1 1 15 15 ASP H H 15 9.127 9.127 8.404 0.723 25865
1294 1 9 . 1 1 16 16 ASP N N 16 117.818 117.818 118.197 -0.379 25865
1295 1 9 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.454 -0.031 25865
1296 1 9 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.334 -0.140 25865
1297 1 9 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.805 -1.005 25865
1298 1 9 . 1 1 16 16 ASP H H 16 8.524 8.524 8.549 -0.025 25865
1299 1 9 . 1 1 17 17 ARG N N 17 119.990 119.990 117.448 2.542 25865
1300 1 9 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.360 0.130 25865
1301 1 9 . 1 1 17 17 ARG CA C 17 55.300 55.300 56.474 -1.174 25865
1302 1 9 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.844 -0.244 25865
1303 1 9 . 1 1 17 17 ARG H H 17 8.229 8.229 8.858 -0.629 25865
1304 1 9 . 1 1 18 18 GLY N N 18 109.964 109.964 107.489 2.475 25865
1305 1 9 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.711 0.719 25865
1306 1 9 . 1 1 18 18 GLY H H 18 8.140 8.140 7.830 0.310 25865
1307 1 9 . 1 1 19 19 ARG N N 19 124.871 124.871 119.862 5.009 25865
1308 1 9 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.426 0.031 25865
1309 1 9 . 1 1 19 19 ARG CA C 19 56.063 56.063 53.998 2.066 25865
1310 1 9 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.555 -0.528 25865
1311 1 9 . 1 1 19 19 ARG H H 19 8.825 8.825 7.596 1.229 25865
1312 1 9 . 1 1 20 20 SER N N 20 122.965 122.965 122.686 0.279 25865
1313 1 9 . 1 1 20 20 SER HA H 20 5.245 5.245 4.895 0.350 25865
1314 1 9 . 1 1 20 20 SER CA C 20 59.856 59.856 59.051 0.805 25865
1315 1 9 . 1 1 20 20 SER CB C 20 64.041 64.041 63.055 0.986 25865
1316 1 9 . 1 1 20 20 SER H H 20 8.854 8.854 8.577 0.277 25865
1317 1 9 . 1 1 21 21 TYR N N 21 120.834 120.834 124.217 -3.383 25865
1318 1 9 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.994 -0.314 25865
1319 1 9 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.998 0.691 25865
1320 1 9 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.384 0.354 25865
1321 1 9 . 1 1 21 21 TYR H H 21 8.840 8.840 8.480 0.360 25865
1322 1 9 . 1 1 22 22 TYR N N 22 118.070 118.070 117.635 0.435 25865
1323 1 9 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.493 -0.294 25865
1324 1 9 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.912 0.673 25865
1325 1 9 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.800 -0.909 25865
1326 1 9 . 1 1 22 22 TYR H H 22 9.009 9.009 8.379 0.630 25865
1327 1 9 . 1 1 23 23 VAL N N 23 124.250 124.250 122.024 2.226 25865
1328 1 9 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.394 -0.188 25865
1329 1 9 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.785 1.218 25865
1330 1 9 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.057 0.116 25865
1331 1 9 . 1 1 23 23 VAL H H 23 9.292 9.292 9.253 0.039 25865
1332 1 9 . 1 1 24 24 ASP N N 24 125.668 125.668 129.602 -3.934 25865
1333 1 9 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.602 -0.901 25865
1334 1 9 . 1 1 24 24 ASP CA C 24 51.144 51.144 52.614 -1.470 25865
1335 1 9 . 1 1 24 24 ASP CB C 24 39.002 39.002 40.239 -1.237 25865
1336 1 9 . 1 1 24 24 ASP H H 24 8.200 8.200 8.054 0.146 25865
1337 1 9 . 1 1 25 25 HIS N N 25 124.047 124.047 123.669 0.378 25865
1338 1 9 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.287 -0.017 25865
1339 1 9 . 1 1 25 25 HIS CA C 25 58.737 58.737 59.849 -1.112 25865
1340 1 9 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.052 0.209 25865
1341 1 9 . 1 1 25 25 HIS H H 25 8.789 8.789 8.659 0.130 25865
1342 1 9 . 1 1 26 26 ASN N N 26 117.400 117.400 119.191 -1.791 25865
1343 1 9 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.508 -0.068 25865
1344 1 9 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.968 -0.275 25865
1345 1 9 . 1 1 26 26 ASN CB C 26 38.236 38.236 37.142 1.094 25865
1346 1 9 . 1 1 26 26 ASN H H 26 8.300 8.300 8.430 -0.130 25865
1347 1 9 . 1 1 27 27 SER N N 27 111.903 111.903 115.165 -3.262 25865
1348 1 9 . 1 1 27 27 SER HA H 27 4.282 4.282 4.436 -0.154 25865
1349 1 9 . 1 1 27 27 SER CA C 27 57.983 57.983 59.572 -1.589 25865
1350 1 9 . 1 1 27 27 SER CB C 27 64.052 64.052 63.745 0.307 25865
1351 1 9 . 1 1 27 27 SER H H 27 6.846 6.846 7.834 -0.988 25865
1352 1 9 . 1 1 28 28 LYS N N 28 120.494 120.494 115.740 4.754 25865
1353 1 9 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.061 0.074 25865
1354 1 9 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.279 -0.441 25865
1355 1 9 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.577 -1.209 25865
1356 1 9 . 1 1 28 28 LYS H H 28 7.710 7.710 7.811 -0.101 25865
1357 1 9 . 1 1 29 29 THR N N 29 110.416 110.416 113.293 -2.877 25865
1358 1 9 . 1 1 29 29 THR HA H 29 4.680 4.680 4.634 0.046 25865
1359 1 9 . 1 1 29 29 THR CA C 29 60.400 60.400 60.249 0.151 25865
1360 1 9 . 1 1 29 29 THR CB C 29 72.000 72.000 71.353 0.647 25865
1361 1 9 . 1 1 29 29 THR H H 29 7.247 7.247 7.883 -0.636 25865
1362 1 9 . 1 1 30 30 THR N N 30 112.268 112.268 115.348 -3.080 25865
1363 1 9 . 1 1 30 30 THR HA H 30 5.457 5.457 4.669 0.788 25865
1364 1 9 . 1 1 30 30 THR CA C 30 59.600 59.600 61.434 -1.833 25865
1365 1 9 . 1 1 30 30 THR CB C 30 71.800 71.800 69.935 1.865 25865
1366 1 9 . 1 1 30 30 THR H H 30 8.117 8.117 8.111 0.006 25865
1367 1 9 . 1 1 31 31 THR N N 31 115.637 115.637 121.746 -6.109 25865
1368 1 9 . 1 1 31 31 THR HA H 31 4.758 4.758 4.545 0.213 25865
1369 1 9 . 1 1 31 31 THR CA C 31 59.477 59.477 61.560 -2.083 25865
1370 1 9 . 1 1 31 31 THR CB C 31 69.375 69.375 70.200 -0.825 25865
1371 1 9 . 1 1 31 31 THR H H 31 9.118 9.118 8.259 0.859 25865
1372 1 9 . 1 1 32 32 TRP N N 32 126.550 126.550 125.461 1.089 25865
1373 1 9 . 1 1 32 32 TRP HA H 32 5.180 5.180 5.240 -0.060 25865
1374 1 9 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.560 1.840 25865
1375 1 9 . 1 1 32 32 TRP CB C 32 31.404 31.404 28.876 2.528 25865
1376 1 9 . 1 1 32 32 TRP H H 32 8.773 8.773 8.517 0.256 25865
1377 1 9 . 1 1 33 33 SER N N 33 117.395 117.395 120.145 -2.750 25865
1378 1 9 . 1 1 33 33 SER HA H 33 4.540 4.540 4.508 0.032 25865
1379 1 9 . 1 1 33 33 SER CA C 33 58.340 58.340 56.683 1.657 25865
1380 1 9 . 1 1 33 33 SER CB C 33 63.660 63.660 65.688 -2.028 25865
1381 1 9 . 1 1 33 33 SER H H 33 8.597 8.597 8.249 0.348 25865
1382 1 9 . 1 1 34 34 LYS N N 34 130.255 130.255 123.040 7.215 25865
1383 1 9 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.544 -1.824 25865
1384 1 9 . 1 1 34 34 LYS CA C 34 54.550 54.550 55.066 -0.517 25865
1385 1 9 . 1 1 34 34 LYS CB C 34 32.920 32.920 31.713 1.207 25865
1386 1 9 . 1 1 34 34 LYS H H 34 8.356 8.356 8.391 -0.035 25865
1387 1 9 . 1 1 35 35 PRO HA H 35 4.046 4.046 3.874 0.172 25865
1388 1 9 . 1 1 35 35 PRO CA C 35 62.149 62.149 61.870 0.279 25865
1389 1 9 . 1 1 35 35 PRO CB C 35 31.402 31.402 32.048 -0.646 25865
1390 1 9 . 1 1 36 36 THR N N 36 114.635 114.635 111.129 3.506 25865
1391 1 9 . 1 1 36 36 THR HA H 36 4.132 4.132 4.370 -0.238 25865
1392 1 9 . 1 1 36 36 THR CA C 36 61.022 61.022 60.732 0.290 25865
1393 1 9 . 1 1 36 36 THR CB C 36 70.111 70.111 70.078 0.033 25865
1394 1 9 . 1 1 36 36 THR H H 36 7.920 7.920 7.592 0.328 25865
1395 1 9 . 1 1 37 37 MET N N 37 123.471 123.471 120.976 2.495 25865
1396 1 9 . 1 1 37 37 MET HA H 37 4.380 4.380 4.615 -0.235 25865
1397 1 9 . 1 1 37 37 MET CA C 37 55.304 55.304 54.854 0.450 25865
1398 1 9 . 1 1 37 37 MET CB C 37 32.931 32.931 33.732 -0.801 25865
1399 1 9 . 1 1 37 37 MET H H 37 8.335 8.335 8.281 0.054 25865
1400 1 9 . 1 1 38 38 GLU N N 38 123.085 123.085 124.626 -1.541 25865
1401 1 9 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.372 0.008 25865
1402 1 9 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.322 -0.646 25865
1403 1 9 . 1 1 38 38 GLU CB C 38 29.896 29.896 28.798 1.098 25865
1404 1 9 . 1 1 38 38 GLU H H 38 8.355 8.355 8.679 -0.324 25865
1405 1 10 . 1 1 5 5 GLY CA C 5 45.251 45.251 45.214 0.037 25865
1406 1 10 . 1 1 6 6 LEU N N 6 121.542 121.542 117.400 4.142 25865
1407 1 10 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.770 -0.207 25865
1408 1 10 . 1 1 6 6 LEU CA C 6 52.284 52.284 50.665 1.619 25865
1409 1 10 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.903 0.495 25865
1410 1 10 . 1 1 6 6 LEU H H 6 7.983 7.983 7.350 0.633 25865
1411 1 10 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.586 0.172 25865
1412 1 10 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.047 0.153 25865
1413 1 10 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.466 -0.766 25865
1414 1 10 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.307 0.165 25865
1415 1 10 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.128 -0.086 25865
1416 1 10 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.561 0.227 25865
1417 1 10 . 1 1 9 9 GLY N N 9 113.830 113.830 111.239 2.591 25865
1418 1 10 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.986 0.845 25865
1419 1 10 . 1 1 9 9 GLY H H 9 9.018 9.018 8.550 0.468 25865
1420 1 10 . 1 1 10 10 TRP N N 10 118.923 118.923 120.073 -1.150 25865
1421 1 10 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.620 0.380 25865
1422 1 10 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.500 0.792 25865
1423 1 10 . 1 1 10 10 TRP CB C 10 32.169 32.169 31.372 0.797 25865
1424 1 10 . 1 1 10 10 TRP H H 10 7.694 7.694 8.052 -0.358 25865
1425 1 10 . 1 1 11 11 GLU N N 11 121.415 121.415 121.148 0.267 25865
1426 1 10 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.833 -0.075 25865
1427 1 10 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.062 1.036 25865
1428 1 10 . 1 1 11 11 GLU CB C 11 35.184 35.184 33.837 1.347 25865
1429 1 10 . 1 1 11 11 GLU H H 11 9.367 9.367 8.664 0.703 25865
1430 1 10 . 1 1 12 12 GLU N N 12 126.940 126.940 124.517 2.423 25865
1431 1 10 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.730 -0.065 25865
1432 1 10 . 1 1 12 12 GLU CA C 12 54.945 54.945 56.360 -1.415 25865
1433 1 10 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.571 1.224 25865
1434 1 10 . 1 1 12 12 GLU H H 12 8.873 8.873 8.753 0.120 25865
1435 1 10 . 1 1 13 13 LYS N N 13 128.576 128.576 122.986 5.590 25865
1436 1 10 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.411 -0.035 25865
1437 1 10 . 1 1 13 13 LYS CA C 13 54.167 54.167 53.746 0.421 25865
1438 1 10 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.630 -0.671 25865
1439 1 10 . 1 1 13 13 LYS H H 13 8.418 8.418 8.349 0.069 25865
1440 1 10 . 1 1 14 14 GLN N N 14 116.724 116.724 120.380 -3.656 25865
1441 1 10 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.782 0.584 25865
1442 1 10 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.286 0.274 25865
1443 1 10 . 1 1 14 14 GLN CB C 14 32.540 32.540 30.400 2.140 25865
1444 1 10 . 1 1 14 14 GLN H H 14 7.901 7.901 8.234 -0.333 25865
1445 1 10 . 1 1 15 15 ASP N N 15 124.800 124.800 120.187 4.613 25865
1446 1 10 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.860 -0.005 25865
1447 1 10 . 1 1 15 15 ASP CA C 15 52.600 52.600 53.449 -0.849 25865
1448 1 10 . 1 1 15 15 ASP CB C 15 40.903 40.903 42.008 -1.105 25865
1449 1 10 . 1 1 15 15 ASP H H 15 9.127 9.127 8.231 0.896 25865
1450 1 10 . 1 1 16 16 ASP N N 16 117.818 117.818 117.015 0.803 25865
1451 1 10 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.486 -0.063 25865
1452 1 10 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.211 -0.016 25865
1453 1 10 . 1 1 16 16 ASP CB C 16 39.800 39.800 41.042 -1.242 25865
1454 1 10 . 1 1 16 16 ASP H H 16 8.524 8.524 8.489 0.035 25865
1455 1 10 . 1 1 17 17 ARG N N 17 119.990 119.990 116.739 3.251 25865
1456 1 10 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.483 0.007 25865
1457 1 10 . 1 1 17 17 ARG CA C 17 55.300 55.300 55.418 -0.118 25865
1458 1 10 . 1 1 17 17 ARG CB C 17 30.600 30.600 31.240 -0.640 25865
1459 1 10 . 1 1 17 17 ARG H H 17 8.229 8.229 8.578 -0.349 25865
1460 1 10 . 1 1 18 18 GLY N N 18 109.964 109.964 108.332 1.632 25865
1461 1 10 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.851 0.579 25865
1462 1 10 . 1 1 18 18 GLY H H 18 8.140 8.140 8.489 -0.349 25865
1463 1 10 . 1 1 19 19 ARG N N 19 124.871 124.871 121.586 3.285 25865
1464 1 10 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.672 -0.215 25865
1465 1 10 . 1 1 19 19 ARG CA C 19 56.063 56.063 53.881 2.182 25865
1466 1 10 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.255 -0.228 25865
1467 1 10 . 1 1 19 19 ARG H H 19 8.825 8.825 9.426 -0.601 25865
1468 1 10 . 1 1 20 20 SER N N 20 122.965 122.965 122.959 0.006 25865
1469 1 10 . 1 1 20 20 SER HA H 20 5.245 5.245 4.299 0.946 25865
1470 1 10 . 1 1 20 20 SER CA C 20 59.856 59.856 59.126 0.730 25865
1471 1 10 . 1 1 20 20 SER CB C 20 64.041 64.041 62.802 1.239 25865
1472 1 10 . 1 1 20 20 SER H H 20 8.854 8.854 8.913 -0.059 25865
1473 1 10 . 1 1 21 21 TYR N N 21 120.834 120.834 122.960 -2.126 25865
1474 1 10 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.112 0.568 25865
1475 1 10 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.376 1.313 25865
1476 1 10 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.564 0.174 25865
1477 1 10 . 1 1 21 21 TYR H H 21 8.840 8.840 8.308 0.532 25865
1478 1 10 . 1 1 22 22 TYR N N 22 118.070 118.070 116.298 1.772 25865
1479 1 10 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.737 -0.538 25865
1480 1 10 . 1 1 22 22 TYR CA C 22 57.585 57.585 55.934 1.651 25865
1481 1 10 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.272 -0.381 25865
1482 1 10 . 1 1 22 22 TYR H H 22 9.009 9.009 8.023 0.986 25865
1483 1 10 . 1 1 23 23 VAL N N 23 124.250 124.250 121.441 2.809 25865
1484 1 10 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.826 -0.620 25865
1485 1 10 . 1 1 23 23 VAL CA C 23 61.003 61.003 58.962 2.041 25865
1486 1 10 . 1 1 23 23 VAL CB C 23 34.173 34.173 35.091 -0.918 25865
1487 1 10 . 1 1 23 23 VAL H H 23 9.292 9.292 8.690 0.602 25865
1488 1 10 . 1 1 24 24 ASP N N 24 125.668 125.668 128.529 -2.861 25865
1489 1 10 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.499 -0.798 25865
1490 1 10 . 1 1 24 24 ASP CA C 24 51.144 51.144 52.861 -1.717 25865
1491 1 10 . 1 1 24 24 ASP CB C 24 39.002 39.002 42.198 -3.196 25865
1492 1 10 . 1 1 24 24 ASP H H 24 8.200 8.200 8.217 -0.017 25865
1493 1 10 . 1 1 25 25 HIS N N 25 124.047 124.047 124.530 -0.483 25865
1494 1 10 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.432 -0.162 25865
1495 1 10 . 1 1 25 25 HIS CA C 25 58.737 58.737 58.304 0.433 25865
1496 1 10 . 1 1 25 25 HIS CB C 25 30.261 30.261 29.994 0.267 25865
1497 1 10 . 1 1 25 25 HIS H H 25 8.789 8.789 8.630 0.159 25865
1498 1 10 . 1 1 26 26 ASN N N 26 117.400 117.400 116.895 0.505 25865
1499 1 10 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.678 -0.238 25865
1500 1 10 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.096 0.596 25865
1501 1 10 . 1 1 26 26 ASN CB C 26 38.236 38.236 39.067 -0.831 25865
1502 1 10 . 1 1 26 26 ASN H H 26 8.300 8.300 8.639 -0.339 25865
1503 1 10 . 1 1 27 27 SER N N 27 111.903 111.903 113.484 -1.581 25865
1504 1 10 . 1 1 27 27 SER HA H 27 4.282 4.282 4.518 -0.236 25865
1505 1 10 . 1 1 27 27 SER CA C 27 57.983 57.983 58.461 -0.478 25865
1506 1 10 . 1 1 27 27 SER CB C 27 64.052 64.052 64.079 -0.027 25865
1507 1 10 . 1 1 27 27 SER H H 27 6.846 6.846 8.971 -2.125 25865
1508 1 10 . 1 1 28 28 LYS N N 28 120.494 120.494 118.289 2.205 25865
1509 1 10 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.077 0.058 25865
1510 1 10 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.129 -0.291 25865
1511 1 10 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.565 -1.197 25865
1512 1 10 . 1 1 28 28 LYS H H 28 7.710 7.710 7.776 -0.066 25865
1513 1 10 . 1 1 29 29 THR N N 29 110.416 110.416 115.190 -4.774 25865
1514 1 10 . 1 1 29 29 THR HA H 29 4.680 4.680 4.428 0.252 25865
1515 1 10 . 1 1 29 29 THR CA C 29 60.400 60.400 60.731 -0.331 25865
1516 1 10 . 1 1 29 29 THR CB C 29 72.000 72.000 71.850 0.150 25865
1517 1 10 . 1 1 29 29 THR H H 29 7.247 7.247 7.856 -0.609 25865
1518 1 10 . 1 1 30 30 THR N N 30 112.268 112.268 120.667 -8.399 25865
1519 1 10 . 1 1 30 30 THR HA H 30 5.457 5.457 4.246 1.211 25865
1520 1 10 . 1 1 30 30 THR CA C 30 59.600 59.600 61.552 -1.952 25865
1521 1 10 . 1 1 30 30 THR CB C 30 71.800 71.800 68.771 3.029 25865
1522 1 10 . 1 1 30 30 THR H H 30 8.117 8.117 8.365 -0.248 25865
1523 1 10 . 1 1 31 31 THR N N 31 115.637 115.637 122.831 -7.194 25865
1524 1 10 . 1 1 31 31 THR HA H 31 4.758 4.758 4.572 0.186 25865
1525 1 10 . 1 1 31 31 THR CA C 31 59.477 59.477 61.111 -1.634 25865
1526 1 10 . 1 1 31 31 THR CB C 31 69.375 69.375 70.155 -0.780 25865
1527 1 10 . 1 1 31 31 THR H H 31 9.118 9.118 8.599 0.519 25865
1528 1 10 . 1 1 32 32 TRP N N 32 126.550 126.550 129.288 -2.738 25865
1529 1 10 . 1 1 32 32 TRP HA H 32 5.180 5.180 5.115 0.065 25865
1530 1 10 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.130 2.270 25865
1531 1 10 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.957 1.447 25865
1532 1 10 . 1 1 32 32 TRP H H 32 8.773 8.773 8.804 -0.031 25865
1533 1 10 . 1 1 33 33 SER N N 33 117.395 117.395 120.486 -3.091 25865
1534 1 10 . 1 1 33 33 SER HA H 33 4.540 4.540 4.940 -0.400 25865
1535 1 10 . 1 1 33 33 SER CA C 33 58.340 58.340 57.546 0.794 25865
1536 1 10 . 1 1 33 33 SER CB C 33 63.660 63.660 65.874 -2.214 25865
1537 1 10 . 1 1 33 33 SER H H 33 8.597 8.597 8.448 0.149 25865
1538 1 10 . 1 1 34 34 LYS N N 34 130.255 130.255 124.350 5.905 25865
1539 1 10 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.699 -1.979 25865
1540 1 10 . 1 1 34 34 LYS CA C 34 54.550 54.550 53.404 1.146 25865
1541 1 10 . 1 1 34 34 LYS CB C 34 32.920 32.920 32.510 0.410 25865
1542 1 10 . 1 1 34 34 LYS H H 34 8.356 8.356 8.602 -0.246 25865
1543 1 10 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.304 -0.258 25865
1544 1 10 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.927 -0.778 25865
1545 1 10 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.606 -0.204 25865
1546 1 10 . 1 1 36 36 THR N N 36 114.635 114.635 121.905 -7.270 25865
1547 1 10 . 1 1 36 36 THR HA H 36 4.132 4.132 4.495 -0.363 25865
1548 1 10 . 1 1 36 36 THR CA C 36 61.022 61.022 63.016 -1.994 25865
1549 1 10 . 1 1 36 36 THR CB C 36 70.111 70.111 68.051 2.060 25865
1550 1 10 . 1 1 36 36 THR H H 36 7.920 7.920 8.548 -0.628 25865
1551 1 10 . 1 1 37 37 MET N N 37 123.471 123.471 121.019 2.452 25865
1552 1 10 . 1 1 37 37 MET HA H 37 4.380 4.380 4.420 -0.040 25865
1553 1 10 . 1 1 37 37 MET CA C 37 55.304 55.304 55.197 0.107 25865
1554 1 10 . 1 1 37 37 MET CB C 37 32.931 32.931 35.505 -2.575 25865
1555 1 10 . 1 1 37 37 MET H H 37 8.335 8.335 7.776 0.559 25865
1556 1 10 . 1 1 38 38 GLU N N 38 123.085 123.085 123.365 -0.280 25865
1557 1 10 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.527 -0.147 25865
1558 1 10 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.289 -0.613 25865
1559 1 10 . 1 1 38 38 GLU CB C 38 29.896 29.896 30.738 -0.842 25865
1560 1 10 . 1 1 38 38 GLU H H 38 8.355 8.355 8.454 -0.099 25865
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 30 3.577 0.370 3.619 25865
2 1 1 "Average Difference" HA 31 0.482 0.017 0.489 25865
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25865
4 1 1 "Average Difference" CA 34 1.070 -0.027 1.086 25865
5 1 1 "Average Difference" CB 31 1.397 -0.040 1.419 25865
6 1 1 "Average Difference" HN 30 0.554 -0.010 0.564 25865
7 1 2 "Average Difference" N 30 4.094 -0.397 4.144 25865
8 1 2 "Average Difference" HA 31 0.469 0.029 0.476 25865
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25865
10 1 2 "Average Difference" CA 34 0.989 0.086 1.000 25865
11 1 2 "Average Difference" CB 31 1.274 -0.233 1.273 25865
12 1 2 "Average Difference" HN 30 0.545 -0.026 0.554 25865
13 1 3 "Average Difference" N 30 3.455 0.164 3.510 25865
14 1 3 "Average Difference" HA 31 0.521 -0.036 0.528 25865
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25865
16 1 3 "Average Difference" CA 34 0.835 0.043 0.846 25865
17 1 3 "Average Difference" CB 31 1.311 -0.130 1.326 25865
18 1 3 "Average Difference" HN 30 0.532 -0.029 0.541 25865
19 1 4 "Average Difference" N 30 3.062 -0.004 3.114 25865
20 1 4 "Average Difference" HA 31 0.590 0.007 0.600 25865
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25865
22 1 4 "Average Difference" CA 34 1.334 -0.223 1.335 25865
23 1 4 "Average Difference" CB 31 1.448 0.071 1.470 25865
24 1 4 "Average Difference" HN 30 0.618 -0.114 0.617 25865
25 1 5 "Average Difference" N 30 3.416 0.389 3.452 25865
26 1 5 "Average Difference" HA 31 0.552 0.046 0.559 25865
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25865
28 1 5 "Average Difference" CA 34 1.110 -0.147 1.117 25865
29 1 5 "Average Difference" CB 31 1.460 -0.182 1.473 25865
30 1 5 "Average Difference" HN 30 0.552 -0.044 0.560 25865
31 1 6 "Average Difference" N 30 3.606 0.494 3.633 25865
32 1 6 "Average Difference" HA 31 0.510 0.025 0.518 25865
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25865
34 1 6 "Average Difference" CA 34 1.310 0.050 1.328 25865
35 1 6 "Average Difference" CB 31 1.241 -0.220 1.241 25865
36 1 6 "Average Difference" HN 30 0.564 -0.070 0.569 25865
37 1 7 "Average Difference" N 30 3.737 -0.273 3.791 25865
38 1 7 "Average Difference" HA 31 0.475 0.068 0.478 25865
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25865
40 1 7 "Average Difference" CA 34 1.024 -0.185 1.022 25865
41 1 7 "Average Difference" CB 31 1.269 -0.062 1.288 25865
42 1 7 "Average Difference" HN 30 0.562 -0.054 0.569 25865
43 1 8 "Average Difference" N 30 2.979 -0.970 2.864 25865
44 1 8 "Average Difference" HA 31 0.554 0.033 0.562 25865
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25865
46 1 8 "Average Difference" CA 34 1.205 -0.084 1.220 25865
47 1 8 "Average Difference" CB 31 1.061 0.065 1.076 25865
48 1 8 "Average Difference" HN 30 0.605 -0.120 0.603 25865
49 1 9 "Average Difference" N 30 3.145 -0.171 3.194 25865
50 1 9 "Average Difference" HA 31 0.443 0.045 0.449 25865
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25865
52 1 9 "Average Difference" CA 34 1.020 -0.008 1.035 25865
53 1 9 "Average Difference" CB 31 1.103 -0.117 1.115 25865
54 1 9 "Average Difference" HN 30 0.483 -0.121 0.476 25865
55 1 10 "Average Difference" N 30 3.693 0.045 3.756 25865
56 1 10 "Average Difference" HA 31 0.544 0.060 0.550 25865
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25865
58 1 10 "Average Difference" CA 34 1.147 -0.198 1.147 25865
59 1 10 "Average Difference" CB 31 1.352 0.091 1.371 25865
60 1 10 "Average Difference" HN 30 0.593 0.001 0.604 25865
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 25865
_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 5 5 GLY CA C 5 45.251 45.251 45.331 -0.080 25865
2 1 . 1 1 6 6 LEU N N 6 121.542 121.542 121.176 0.366 25865
3 1 . 1 1 6 6 LEU HA H 6 4.563 4.563 4.599 -0.036 25865
4 1 . 1 1 6 6 LEU CA C 6 52.284 52.284 51.950 0.334 25865
5 1 . 1 1 6 6 LEU CB C 6 42.398 42.398 41.753 0.645 25865
6 1 . 1 1 6 6 LEU H H 6 7.983 7.983 7.768 0.215 25865
7 1 . 1 1 7 7 PRO HA H 7 4.758 4.758 4.462 0.296 25865
8 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.361 -0.161 25865
9 1 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.612 -0.912 25865
10 1 . 1 1 8 8 PRO HA H 8 4.472 4.472 4.315 0.158 25865
11 1 . 1 1 8 8 PRO CA C 8 64.042 64.042 64.248 -0.206 25865
12 1 . 1 1 8 8 PRO CB C 8 31.788 31.788 31.476 0.312 25865
13 1 . 1 1 9 9 GLY N N 9 113.830 113.830 111.159 2.671 25865
14 1 . 1 1 9 9 GLY CA C 9 45.830 45.830 44.938 0.892 25865
15 1 . 1 1 9 9 GLY H H 9 9.018 9.018 8.498 0.520 25865
16 1 . 1 1 10 10 TRP N N 10 118.923 118.923 120.985 -2.062 25865
17 1 . 1 1 10 10 TRP HA H 10 6.000 6.000 5.441 0.559 25865
18 1 . 1 1 10 10 TRP CA C 10 56.292 56.292 55.872 0.420 25865
19 1 . 1 1 10 10 TRP CB C 10 32.169 32.169 30.359 1.810 25865
20 1 . 1 1 10 10 TRP H H 10 7.694 7.694 8.038 -0.344 25865
21 1 . 1 1 11 11 GLU N N 11 121.415 121.415 123.327 -1.912 25865
22 1 . 1 1 11 11 GLU HA H 11 4.758 4.758 4.771 -0.013 25865
23 1 . 1 1 11 11 GLU CA C 11 55.098 55.098 54.386 0.712 25865
24 1 . 1 1 11 11 GLU CB C 11 35.184 35.184 33.392 1.792 25865
25 1 . 1 1 11 11 GLU H H 11 9.367 9.367 8.668 0.699 25865
26 1 . 1 1 12 12 GLU N N 12 126.940 126.940 124.750 2.190 25865
27 1 . 1 1 12 12 GLU HA H 12 4.665 4.665 4.713 -0.048 25865
28 1 . 1 1 12 12 GLU CA C 12 54.945 54.945 55.566 -0.621 25865
29 1 . 1 1 12 12 GLU CB C 12 31.795 31.795 30.392 1.403 25865
30 1 . 1 1 12 12 GLU H H 12 8.873 8.873 8.760 0.113 25865
31 1 . 1 1 13 13 LYS N N 13 128.576 128.576 124.255 4.321 25865
32 1 . 1 1 13 13 LYS HA H 13 4.376 4.376 4.560 -0.184 25865
33 1 . 1 1 13 13 LYS CA C 13 54.167 54.167 54.180 -0.013 25865
34 1 . 1 1 13 13 LYS CB C 13 35.960 35.960 36.173 -0.213 25865
35 1 . 1 1 13 13 LYS H H 13 8.418 8.418 8.537 -0.119 25865
36 1 . 1 1 14 14 GLN N N 14 116.724 116.724 118.472 -1.748 25865
37 1 . 1 1 14 14 GLN HA H 14 5.366 5.366 4.885 0.481 25865
38 1 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.989 0.571 25865
39 1 . 1 1 14 14 GLN CB C 14 32.540 32.540 31.262 1.278 25865
40 1 . 1 1 14 14 GLN H H 14 7.901 7.901 8.254 -0.353 25865
41 1 . 1 1 15 15 ASP N N 15 124.800 124.800 120.784 4.016 25865
42 1 . 1 1 15 15 ASP HA H 15 4.855 4.855 4.683 0.172 25865
43 1 . 1 1 15 15 ASP CA C 15 52.600 52.600 53.146 -0.546 25865
44 1 . 1 1 15 15 ASP CB C 15 40.903 40.903 41.954 -1.051 25865
45 1 . 1 1 15 15 ASP H H 15 9.127 9.127 8.300 0.827 25865
46 1 . 1 1 16 16 ASP N N 16 117.818 117.818 118.105 -0.287 25865
47 1 . 1 1 16 16 ASP HA H 16 4.423 4.423 4.463 -0.040 25865
48 1 . 1 1 16 16 ASP CA C 16 56.194 56.194 56.256 -0.062 25865
49 1 . 1 1 16 16 ASP CB C 16 39.800 39.800 40.861 -1.062 25865
50 1 . 1 1 16 16 ASP H H 16 8.524 8.524 8.565 -0.041 25865
51 1 . 1 1 17 17 ARG N N 17 119.990 119.990 117.600 2.390 25865
52 1 . 1 1 17 17 ARG HA H 17 4.490 4.490 4.381 0.109 25865
53 1 . 1 1 17 17 ARG CA C 17 55.300 55.300 56.001 -0.701 25865
54 1 . 1 1 17 17 ARG CB C 17 30.600 30.600 30.832 -0.232 25865
55 1 . 1 1 17 17 ARG H H 17 8.229 8.229 8.419 -0.190 25865
56 1 . 1 1 18 18 GLY N N 18 109.964 109.964 107.147 2.818 25865
57 1 . 1 1 18 18 GLY CA C 18 45.430 45.430 44.786 0.644 25865
58 1 . 1 1 18 18 GLY H H 18 8.140 8.140 8.021 0.119 25865
59 1 . 1 1 19 19 ARG N N 19 124.871 124.871 120.870 4.001 25865
60 1 . 1 1 19 19 ARG HA H 19 4.457 4.457 4.520 -0.063 25865
61 1 . 1 1 19 19 ARG CA C 19 56.063 56.063 54.280 1.783 25865
62 1 . 1 1 19 19 ARG CB C 19 31.027 31.027 31.251 -0.224 25865
63 1 . 1 1 19 19 ARG H H 19 8.825 8.825 8.821 0.004 25865
64 1 . 1 1 20 20 SER N N 20 122.965 122.965 121.121 1.844 25865
65 1 . 1 1 20 20 SER HA H 20 5.245 5.245 4.686 0.559 25865
66 1 . 1 1 20 20 SER CA C 20 59.856 59.856 58.465 1.392 25865
67 1 . 1 1 20 20 SER CB C 20 64.041 64.041 62.881 1.160 25865
68 1 . 1 1 20 20 SER H H 20 8.854 8.854 8.669 0.185 25865
69 1 . 1 1 21 21 TYR N N 21 120.834 120.834 123.420 -2.586 25865
70 1 . 1 1 21 21 TYR HA H 21 4.680 4.680 4.605 0.075 25865
71 1 . 1 1 21 21 TYR CA C 21 55.689 55.689 54.558 1.131 25865
72 1 . 1 1 21 21 TYR CB C 21 39.738 39.738 39.566 0.172 25865
73 1 . 1 1 21 21 TYR H H 21 8.840 8.840 8.367 0.473 25865
74 1 . 1 1 22 22 TYR N N 22 118.070 118.070 116.974 1.096 25865
75 1 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.640 -0.441 25865
76 1 . 1 1 22 22 TYR CA C 22 57.585 57.585 56.271 1.314 25865
77 1 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.466 -0.575 25865
78 1 . 1 1 22 22 TYR H H 22 9.009 9.009 8.308 0.702 25865
79 1 . 1 1 23 23 VAL N N 23 124.250 124.250 122.202 2.048 25865
80 1 . 1 1 23 23 VAL HA H 23 4.206 4.206 4.431 -0.224 25865
81 1 . 1 1 23 23 VAL CA C 23 61.003 61.003 59.492 1.511 25865
82 1 . 1 1 23 23 VAL CB C 23 34.173 34.173 34.686 -0.513 25865
83 1 . 1 1 23 23 VAL H H 23 9.292 9.292 8.748 0.544 25865
84 1 . 1 1 24 24 ASP N N 24 125.668 125.668 129.475 -3.807 25865
85 1 . 1 1 24 24 ASP HA H 24 3.701 3.701 4.510 -0.809 25865
86 1 . 1 1 24 24 ASP CA C 24 51.144 51.144 52.739 -1.595 25865
87 1 . 1 1 24 24 ASP CB C 24 39.002 39.002 41.617 -2.615 25865
88 1 . 1 1 24 24 ASP H H 24 8.200 8.200 8.244 -0.044 25865
89 1 . 1 1 25 25 HIS N N 25 124.047 124.047 124.971 -0.924 25865
90 1 . 1 1 25 25 HIS HA H 25 4.270 4.270 4.411 -0.141 25865
91 1 . 1 1 25 25 HIS CA C 25 58.737 58.737 58.494 0.243 25865
92 1 . 1 1 25 25 HIS CB C 25 30.261 30.261 30.062 0.199 25865
93 1 . 1 1 25 25 HIS H H 25 8.789 8.789 8.716 0.073 25865
94 1 . 1 1 26 26 ASN N N 26 117.400 117.400 117.772 -0.372 25865
95 1 . 1 1 26 26 ASN HA H 26 4.440 4.440 4.624 -0.184 25865
96 1 . 1 1 26 26 ASN CA C 26 55.692 55.692 55.729 -0.037 25865
97 1 . 1 1 26 26 ASN CB C 26 38.236 38.236 38.829 -0.593 25865
98 1 . 1 1 26 26 ASN H H 26 8.300 8.300 8.547 -0.247 25865
99 1 . 1 1 27 27 SER N N 27 111.903 111.903 113.774 -1.871 25865
100 1 . 1 1 27 27 SER HA H 27 4.282 4.282 4.529 -0.246 25865
101 1 . 1 1 27 27 SER CA C 27 57.983 57.983 58.672 -0.689 25865
102 1 . 1 1 27 27 SER CB C 27 64.052 64.052 64.067 -0.015 25865
103 1 . 1 1 27 27 SER H H 27 6.846 6.846 8.540 -1.695 25865
104 1 . 1 1 28 28 LYS N N 28 120.494 120.494 118.103 2.391 25865
105 1 . 1 1 28 28 LYS HA H 28 4.135 4.135 4.017 0.118 25865
106 1 . 1 1 28 28 LYS CA C 28 56.838 56.838 57.321 -0.483 25865
107 1 . 1 1 28 28 LYS CB C 28 28.368 28.368 29.808 -1.440 25865
108 1 . 1 1 28 28 LYS H H 28 7.710 7.710 7.794 -0.084 25865
109 1 . 1 1 29 29 THR N N 29 110.416 110.416 114.059 -3.643 25865
110 1 . 1 1 29 29 THR HA H 29 4.680 4.680 4.464 0.216 25865
111 1 . 1 1 29 29 THR CA C 29 60.400 60.400 60.924 -0.524 25865
112 1 . 1 1 29 29 THR CB C 29 72.000 72.000 71.324 0.676 25865
113 1 . 1 1 29 29 THR H H 29 7.247 7.247 7.757 -0.510 25865
114 1 . 1 1 30 30 THR N N 30 112.268 112.268 120.272 -8.004 25865
115 1 . 1 1 30 30 THR HA H 30 5.457 5.457 4.372 1.086 25865
116 1 . 1 1 30 30 THR CA C 30 59.600 59.600 61.755 -2.155 25865
117 1 . 1 1 30 30 THR CB C 30 71.800 71.800 69.323 2.477 25865
118 1 . 1 1 30 30 THR H H 30 8.117 8.117 8.350 -0.233 25865
119 1 . 1 1 31 31 THR N N 31 115.637 115.637 121.605 -5.968 25865
120 1 . 1 1 31 31 THR HA H 31 4.758 4.758 4.566 0.193 25865
121 1 . 1 1 31 31 THR CA C 31 59.477 59.477 60.585 -1.108 25865
122 1 . 1 1 31 31 THR CB C 31 69.375 69.375 70.341 -0.966 25865
123 1 . 1 1 31 31 THR H H 31 9.118 9.118 8.356 0.762 25865
124 1 . 1 1 32 32 TRP N N 32 126.550 126.550 126.697 -0.147 25865
125 1 . 1 1 32 32 TRP HA H 32 5.180 5.180 4.909 0.271 25865
126 1 . 1 1 32 32 TRP CA C 32 58.400 58.400 56.725 1.675 25865
127 1 . 1 1 32 32 TRP CB C 32 31.404 31.404 29.472 1.931 25865
128 1 . 1 1 32 32 TRP H H 32 8.773 8.773 8.385 0.388 25865
129 1 . 1 1 33 33 SER N N 33 117.395 117.395 120.076 -2.681 25865
130 1 . 1 1 33 33 SER HA H 33 4.540 4.540 4.722 -0.182 25865
131 1 . 1 1 33 33 SER CA C 33 58.340 58.340 57.782 0.558 25865
132 1 . 1 1 33 33 SER CB C 33 63.660 63.660 64.916 -1.256 25865
133 1 . 1 1 33 33 SER H H 33 8.597 8.597 8.366 0.231 25865
134 1 . 1 1 34 34 LYS N N 34 130.255 130.255 125.075 5.180 25865
135 1 . 1 1 34 34 LYS HA H 34 2.720 2.720 4.562 -1.842 25865
136 1 . 1 1 34 34 LYS CA C 34 54.550 54.550 54.049 0.501 25865
137 1 . 1 1 34 34 LYS CB C 34 32.920 32.920 32.199 0.721 25865
138 1 . 1 1 34 34 LYS H H 34 8.356 8.356 8.501 -0.145 25865
139 1 . 1 1 35 35 PRO HA H 35 4.046 4.046 4.309 -0.263 25865
140 1 . 1 1 35 35 PRO CA C 35 62.149 62.149 62.972 -0.823 25865
141 1 . 1 1 35 35 PRO CB C 35 31.402 31.402 31.833 -0.431 25865
142 1 . 1 1 36 36 THR N N 36 114.635 114.635 116.093 -1.458 25865
143 1 . 1 1 36 36 THR HA H 36 4.132 4.132 4.389 -0.257 25865
144 1 . 1 1 36 36 THR CA C 36 61.022 61.022 61.859 -0.837 25865
145 1 . 1 1 36 36 THR CB C 36 70.111 70.111 69.394 0.717 25865
146 1 . 1 1 36 36 THR H H 36 7.920 7.920 8.138 -0.218 25865
147 1 . 1 1 37 37 MET N N 37 123.471 123.471 120.913 2.558 25865
148 1 . 1 1 37 37 MET HA H 37 4.380 4.380 4.506 -0.126 25865
149 1 . 1 1 37 37 MET CA C 37 55.304 55.304 55.305 -0.001 25865
150 1 . 1 1 37 37 MET CB C 37 32.931 32.931 34.067 -1.136 25865
151 1 . 1 1 37 37 MET H H 37 8.335 8.335 8.075 0.260 25865
152 1 . 1 1 38 38 GLU N N 38 123.085 123.085 122.447 0.638 25865
153 1 . 1 1 38 38 GLU HA H 38 4.380 4.380 4.479 -0.099 25865
154 1 . 1 1 38 38 GLU CA C 38 55.676 55.676 56.358 -0.682 25865
155 1 . 1 1 38 38 GLU CB C 38 29.896 29.896 29.605 0.291 25865
156 1 . 1 1 38 38 GLU H H 38 8.355 8.355 8.485 -0.130 25865
stop_
save_