data_17990
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17990
_Entry.PDB_ID 2LKE
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 17990
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.022 0.264 17990
2 1 1 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.836 0.304 17990
3 1 1 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990
4 1 1 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.989 -0.639 17990
5 1 1 . 1 1 3 3 GLY H H 3 8.955 8.955 7.511 1.444 17990
6 1 1 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.546 -0.249 17990
7 1 1 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.837 0.293 17990
8 1 1 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
9 1 1 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.536 0.606 17990
10 1 1 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.770 2.180 17990
11 1 1 . 1 1 5 5 PHE H H 5 7.629 7.629 6.803 0.826 17990
12 1 1 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.766 0.281 17990
13 1 1 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.354 -0.004 17990
14 1 1 . 1 1 6 6 LYS H H 6 7.856 7.856 7.333 0.523 17990
15 1 1 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.162 -0.119 17990
16 1 1 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.712 -0.143 17990
17 1 1 . 1 1 7 7 ARG H H 7 8.164 8.164 7.432 0.732 17990
18 1 1 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.169 -0.031 17990
19 1 1 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.648 -1.558 17990
20 1 1 . 1 1 8 8 GLN H H 8 7.941 7.941 7.529 0.412 17990
21 1 1 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.471 -0.323 17990
22 1 1 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.199 2.721 17990
23 1 1 . 1 1 9 9 TYR H H 9 8.148 8.148 8.222 -0.074 17990
24 1 1 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.100 -0.222 17990
25 1 1 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.876 4.844 17990
26 1 1 . 1 1 10 10 LYS H H 10 7.971 7.971 7.572 0.399 17990
27 1 1 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.567 -0.121 17990
28 1 1 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.400 -1.310 17990
29 1 1 . 1 1 11 11 ASP H H 11 8.133 8.133 7.822 0.311 17990
30 1 1 . 1 1 12 12 MET HA H 12 4.256 4.256 4.505 -0.249 17990
31 1 1 . 1 1 12 12 MET CA C 12 57.390 57.390 57.102 0.288 17990
32 1 1 . 1 1 12 12 MET H H 12 7.980 7.980 7.352 0.628 17990
33 1 1 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.561 -2.071 17990
34 1 1 . 1 1 16 16 GLY H H 16 8.375 8.375 8.291 0.084 17990
35 1 1 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.048 -0.748 17990
36 1 1 . 1 1 17 17 GLY H H 17 8.046 8.046 8.331 -0.285 17990
37 1 1 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990
38 1 1 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.177 0.103 17990
39 1 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.477 -0.327 17990
40 1 1 . 1 1 20 20 GLY H H 20 8.415 8.415 8.519 -0.104 17990
41 1 1 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.219 0.101 17990
42 1 1 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.613 -0.593 17990
43 1 1 . 1 1 21 21 ALA H H 21 8.002 8.002 8.046 -0.044 17990
44 1 1 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.736 -0.174 17990
45 1 1 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.377 1.943 17990
46 1 1 . 1 1 22 22 GLU H H 22 8.318 8.318 8.146 0.172 17990
47 1 2 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.049 0.237 17990
48 1 2 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.939 0.201 17990
49 1 2 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990
50 1 2 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.987 -0.637 17990
51 1 2 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990
52 1 2 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990
53 1 2 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.881 0.249 17990
54 1 2 . 1 1 4 4 PHE H H 4 7.852 7.852 8.291 -0.439 17990
55 1 2 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.593 0.549 17990
56 1 2 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.059 2.891 17990
57 1 2 . 1 1 5 5 PHE H H 5 7.629 7.629 6.741 0.888 17990
58 1 2 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.740 0.307 17990
59 1 2 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.332 0.018 17990
60 1 2 . 1 1 6 6 LYS H H 6 7.856 7.856 7.364 0.492 17990
61 1 2 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.183 -0.140 17990
62 1 2 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.496 0.074 17990
63 1 2 . 1 1 7 7 ARG H H 7 8.164 8.164 7.417 0.747 17990
64 1 2 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.178 -0.040 17990
65 1 2 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.661 -1.571 17990
66 1 2 . 1 1 8 8 GLN H H 8 7.941 7.941 7.528 0.413 17990
67 1 2 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.478 -0.330 17990
68 1 2 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.149 2.771 17990
69 1 2 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990
70 1 2 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.149 -0.271 17990
71 1 2 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.578 5.142 17990
72 1 2 . 1 1 10 10 LYS H H 10 7.971 7.971 7.659 0.312 17990
73 1 2 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.541 -0.095 17990
74 1 2 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.545 -1.456 17990
75 1 2 . 1 1 11 11 ASP H H 11 8.133 8.133 7.829 0.304 17990
76 1 2 . 1 1 12 12 MET HA H 12 4.256 4.256 4.552 -0.296 17990
77 1 2 . 1 1 12 12 MET CA C 12 57.390 57.390 57.332 0.058 17990
78 1 2 . 1 1 12 12 MET H H 12 7.980 7.980 7.371 0.609 17990
79 1 2 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.419 -1.929 17990
80 1 2 . 1 1 16 16 GLY H H 16 8.375 8.375 8.223 0.152 17990
81 1 2 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.044 -0.744 17990
82 1 2 . 1 1 17 17 GLY H H 17 8.046 8.046 8.363 -0.317 17990
83 1 2 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.229 0.199 17990
84 1 2 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.053 0.227 17990
85 1 2 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.444 -0.294 17990
86 1 2 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990
87 1 2 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.197 0.123 17990
88 1 2 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.706 -0.686 17990
89 1 2 . 1 1 21 21 ALA H H 21 8.002 8.002 7.840 0.162 17990
90 1 2 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.773 -0.211 17990
91 1 2 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.045 2.275 17990
92 1 2 . 1 1 22 22 GLU H H 22 8.318 8.318 8.303 0.015 17990
93 1 3 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.028 0.258 17990
94 1 3 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.908 0.231 17990
95 1 3 . 1 1 2 2 LEU H H 2 8.708 8.708 8.266 0.442 17990
96 1 3 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.990 -0.640 17990
97 1 3 . 1 1 3 3 GLY H H 3 8.955 8.955 7.525 1.430 17990
98 1 3 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.543 -0.246 17990
99 1 3 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.850 0.280 17990
100 1 3 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
101 1 3 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.534 0.608 17990
102 1 3 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.778 2.172 17990
103 1 3 . 1 1 5 5 PHE H H 5 7.629 7.629 6.804 0.825 17990
104 1 3 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.786 0.261 17990
105 1 3 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.344 0.006 17990
106 1 3 . 1 1 6 6 LYS H H 6 7.856 7.856 7.291 0.565 17990
107 1 3 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.202 -0.159 17990
108 1 3 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.266 0.305 17990
109 1 3 . 1 1 7 7 ARG H H 7 8.164 8.164 7.366 0.798 17990
110 1 3 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.218 -0.080 17990
111 1 3 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.054 -0.964 17990
112 1 3 . 1 1 8 8 GLN H H 8 7.941 7.941 7.609 0.332 17990
113 1 3 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.487 -0.339 17990
114 1 3 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.061 2.859 17990
115 1 3 . 1 1 9 9 TYR H H 9 8.148 8.148 8.211 -0.063 17990
116 1 3 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.151 -0.273 17990
117 1 3 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.674 5.046 17990
118 1 3 . 1 1 10 10 LYS H H 10 7.971 7.971 7.608 0.363 17990
119 1 3 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.596 -0.150 17990
120 1 3 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.006 -0.916 17990
121 1 3 . 1 1 11 11 ASP H H 11 8.133 8.133 7.880 0.253 17990
122 1 3 . 1 1 12 12 MET HA H 12 4.256 4.256 4.618 -0.362 17990
123 1 3 . 1 1 12 12 MET CA C 12 57.390 57.390 56.984 0.406 17990
124 1 3 . 1 1 12 12 MET H H 12 7.980 7.980 7.365 0.615 17990
125 1 3 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.447 -1.957 17990
126 1 3 . 1 1 16 16 GLY H H 16 8.375 8.375 8.249 0.126 17990
127 1 3 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.049 -0.749 17990
128 1 3 . 1 1 17 17 GLY H H 17 8.046 8.046 8.367 -0.321 17990
129 1 3 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.260 0.168 17990
130 1 3 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.156 0.124 17990
131 1 3 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990
132 1 3 . 1 1 20 20 GLY H H 20 8.415 8.415 8.535 -0.120 17990
133 1 3 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.196 0.124 17990
134 1 3 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.624 -0.604 17990
135 1 3 . 1 1 21 21 ALA H H 21 8.002 8.002 7.836 0.166 17990
136 1 3 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.775 -0.213 17990
137 1 3 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.554 1.766 17990
138 1 3 . 1 1 22 22 GLU H H 22 8.318 8.318 8.291 0.027 17990
139 1 4 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.002 0.284 17990
140 1 4 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.840 0.300 17990
141 1 4 . 1 1 2 2 LEU H H 2 8.708 8.708 8.260 0.448 17990
142 1 4 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.980 -0.630 17990
143 1 4 . 1 1 3 3 GLY H H 3 8.955 8.955 7.488 1.467 17990
144 1 4 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.545 -0.248 17990
145 1 4 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.819 0.311 17990
146 1 4 . 1 1 4 4 PHE H H 4 7.852 7.852 8.261 -0.409 17990
147 1 4 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.549 0.593 17990
148 1 4 . 1 1 5 5 PHE CA C 5 60.950 60.950 57.956 2.994 17990
149 1 4 . 1 1 5 5 PHE H H 5 7.629 7.629 6.759 0.870 17990
150 1 4 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.757 0.290 17990
151 1 4 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.803 -0.453 17990
152 1 4 . 1 1 6 6 LYS H H 6 7.856 7.856 7.346 0.510 17990
153 1 4 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.167 -0.124 17990
154 1 4 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.757 -0.187 17990
155 1 4 . 1 1 7 7 ARG H H 7 8.164 8.164 7.456 0.708 17990
156 1 4 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.163 -0.025 17990
157 1 4 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.608 -1.518 17990
158 1 4 . 1 1 8 8 GLN H H 8 7.941 7.941 7.519 0.422 17990
159 1 4 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.465 -0.317 17990
160 1 4 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.337 2.583 17990
161 1 4 . 1 1 9 9 TYR H H 9 8.148 8.148 8.211 -0.063 17990
162 1 4 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.132 -0.254 17990
163 1 4 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.722 4.998 17990
164 1 4 . 1 1 10 10 LYS H H 10 7.971 7.971 7.589 0.382 17990
165 1 4 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.562 -0.116 17990
166 1 4 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.208 -1.118 17990
167 1 4 . 1 1 11 11 ASP H H 11 8.133 8.133 7.888 0.245 17990
168 1 4 . 1 1 12 12 MET HA H 12 4.256 4.256 4.519 -0.263 17990
169 1 4 . 1 1 12 12 MET CA C 12 57.390 57.390 57.097 0.293 17990
170 1 4 . 1 1 12 12 MET H H 12 7.980 7.980 7.383 0.597 17990
171 1 4 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.389 -1.899 17990
172 1 4 . 1 1 16 16 GLY H H 16 8.375 8.375 8.157 0.218 17990
173 1 4 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.033 -0.733 17990
174 1 4 . 1 1 17 17 GLY H H 17 8.046 8.046 8.345 -0.299 17990
175 1 4 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
176 1 4 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.151 0.129 17990
177 1 4 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.442 -0.292 17990
178 1 4 . 1 1 20 20 GLY H H 20 8.415 8.415 8.536 -0.121 17990
179 1 4 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.218 0.102 17990
180 1 4 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.885 -0.865 17990
181 1 4 . 1 1 21 21 ALA H H 21 8.002 8.002 7.792 0.210 17990
182 1 4 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.812 -0.250 17990
183 1 4 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.144 2.176 17990
184 1 4 . 1 1 22 22 GLU H H 22 8.318 8.318 8.280 0.038 17990
185 1 5 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.054 0.232 17990
186 1 5 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.947 0.193 17990
187 1 5 . 1 1 2 2 LEU H H 2 8.708 8.708 8.281 0.427 17990
188 1 5 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.993 -0.643 17990
189 1 5 . 1 1 3 3 GLY H H 3 8.955 8.955 7.507 1.448 17990
190 1 5 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.421 -0.124 17990
191 1 5 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.294 -0.164 17990
192 1 5 . 1 1 4 4 PHE H H 4 7.852 7.852 8.234 -0.382 17990
193 1 5 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.540 0.602 17990
194 1 5 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.853 2.096 17990
195 1 5 . 1 1 5 5 PHE H H 5 7.629 7.629 6.801 0.828 17990
196 1 5 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.784 0.263 17990
197 1 5 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.331 0.019 17990
198 1 5 . 1 1 6 6 LYS H H 6 7.856 7.856 7.386 0.470 17990
199 1 5 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.186 -0.143 17990
200 1 5 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.057 0.513 17990
201 1 5 . 1 1 7 7 ARG H H 7 8.164 8.164 7.452 0.712 17990
202 1 5 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.223 -0.085 17990
203 1 5 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.363 -1.273 17990
204 1 5 . 1 1 8 8 GLN H H 8 7.941 7.941 7.597 0.344 17990
205 1 5 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.368 -0.220 17990
206 1 5 . 1 1 9 9 TYR CA C 9 60.920 60.920 59.012 1.908 17990
207 1 5 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990
208 1 5 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.113 -0.235 17990
209 1 5 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.426 5.294 17990
210 1 5 . 1 1 10 10 LYS H H 10 7.971 7.971 7.532 0.439 17990
211 1 5 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.564 -0.118 17990
212 1 5 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.787 -1.697 17990
213 1 5 . 1 1 11 11 ASP H H 11 8.133 8.133 7.701 0.432 17990
214 1 5 . 1 1 12 12 MET HA H 12 4.256 4.256 4.324 -0.068 17990
215 1 5 . 1 1 12 12 MET CA C 12 57.390 57.390 56.796 0.594 17990
216 1 5 . 1 1 12 12 MET H H 12 7.980 7.980 7.399 0.581 17990
217 1 5 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.428 -1.938 17990
218 1 5 . 1 1 16 16 GLY H H 16 8.375 8.375 8.226 0.149 17990
219 1 5 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.031 -0.731 17990
220 1 5 . 1 1 17 17 GLY H H 17 8.046 8.046 8.332 -0.286 17990
221 1 5 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.259 0.169 17990
222 1 5 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.168 0.112 17990
223 1 5 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.465 -0.315 17990
224 1 5 . 1 1 20 20 GLY H H 20 8.415 8.415 8.515 -0.100 17990
225 1 5 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.206 0.114 17990
226 1 5 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.598 -0.578 17990
227 1 5 . 1 1 21 21 ALA H H 21 8.002 8.002 7.919 0.083 17990
228 1 5 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.702 -0.140 17990
229 1 5 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.252 2.068 17990
230 1 5 . 1 1 22 22 GLU H H 22 8.318 8.318 8.180 0.138 17990
231 1 6 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.047 0.239 17990
232 1 6 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.938 0.202 17990
233 1 6 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990
234 1 6 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.986 -0.636 17990
235 1 6 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990
236 1 6 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.405 -0.108 17990
237 1 6 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.378 -0.248 17990
238 1 6 . 1 1 4 4 PHE H H 4 7.852 7.852 8.224 -0.372 17990
239 1 6 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.529 0.613 17990
240 1 6 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.840 2.110 17990
241 1 6 . 1 1 5 5 PHE H H 5 7.629 7.629 6.794 0.835 17990
242 1 6 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.758 0.289 17990
243 1 6 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.365 -0.015 17990
244 1 6 . 1 1 6 6 LYS H H 6 7.856 7.856 7.307 0.549 17990
245 1 6 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.167 -0.124 17990
246 1 6 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.615 -0.045 17990
247 1 6 . 1 1 7 7 ARG H H 7 8.164 8.164 7.447 0.717 17990
248 1 6 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.185 -0.047 17990
249 1 6 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.667 -1.577 17990
250 1 6 . 1 1 8 8 GLN H H 8 7.941 7.941 7.651 0.290 17990
251 1 6 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.466 -0.318 17990
252 1 6 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.039 2.881 17990
253 1 6 . 1 1 9 9 TYR H H 9 8.148 8.148 8.270 -0.122 17990
254 1 6 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.136 -0.258 17990
255 1 6 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.572 5.147 17990
256 1 6 . 1 1 10 10 LYS H H 10 7.971 7.971 7.622 0.349 17990
257 1 6 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.540 -0.094 17990
258 1 6 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.471 -1.381 17990
259 1 6 . 1 1 11 11 ASP H H 11 8.133 8.133 7.824 0.309 17990
260 1 6 . 1 1 12 12 MET HA H 12 4.256 4.256 4.516 -0.260 17990
261 1 6 . 1 1 12 12 MET CA C 12 57.390 57.390 57.004 0.386 17990
262 1 6 . 1 1 12 12 MET H H 12 7.980 7.980 7.374 0.606 17990
263 1 6 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.516 -2.026 17990
264 1 6 . 1 1 16 16 GLY H H 16 8.375 8.375 8.277 0.098 17990
265 1 6 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.034 -0.734 17990
266 1 6 . 1 1 17 17 GLY H H 17 8.046 8.046 8.325 -0.279 17990
267 1 6 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990
268 1 6 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.012 0.268 17990
269 1 6 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.473 -0.323 17990
270 1 6 . 1 1 20 20 GLY H H 20 8.415 8.415 8.517 -0.102 17990
271 1 6 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.231 0.089 17990
272 1 6 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.817 -0.797 17990
273 1 6 . 1 1 21 21 ALA H H 21 8.002 8.002 7.891 0.111 17990
274 1 6 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.730 -0.168 17990
275 1 6 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.314 2.006 17990
276 1 6 . 1 1 22 22 GLU H H 22 8.318 8.318 8.202 0.116 17990
277 1 7 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.003 0.283 17990
278 1 7 . 1 1 2 2 LEU CA C 2 57.140 57.140 57.118 0.022 17990
279 1 7 . 1 1 2 2 LEU H H 2 8.708 8.708 8.299 0.409 17990
280 1 7 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.965 -0.615 17990
281 1 7 . 1 1 3 3 GLY H H 3 8.955 8.955 7.531 1.424 17990
282 1 7 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.554 -0.257 17990
283 1 7 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.688 0.442 17990
284 1 7 . 1 1 4 4 PHE H H 4 7.852 7.852 8.267 -0.415 17990
285 1 7 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.385 0.757 17990
286 1 7 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.620 2.330 17990
287 1 7 . 1 1 5 5 PHE H H 5 7.629 7.629 6.796 0.833 17990
288 1 7 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.786 0.261 17990
289 1 7 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.274 0.076 17990
290 1 7 . 1 1 6 6 LYS H H 6 7.856 7.856 7.458 0.398 17990
291 1 7 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.225 -0.182 17990
292 1 7 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.212 0.359 17990
293 1 7 . 1 1 7 7 ARG H H 7 8.164 8.164 7.290 0.874 17990
294 1 7 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.253 -0.115 17990
295 1 7 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.187 -1.097 17990
296 1 7 . 1 1 8 8 GLN H H 8 7.941 7.941 7.528 0.413 17990
297 1 7 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.483 -0.335 17990
298 1 7 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.633 3.287 17990
299 1 7 . 1 1 9 9 TYR H H 9 8.148 8.148 8.243 -0.095 17990
300 1 7 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.208 -0.330 17990
301 1 7 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.357 5.363 17990
302 1 7 . 1 1 10 10 LYS H H 10 7.971 7.971 7.639 0.332 17990
303 1 7 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.535 -0.089 17990
304 1 7 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.438 -1.347 17990
305 1 7 . 1 1 11 11 ASP H H 11 8.133 8.133 7.839 0.294 17990
306 1 7 . 1 1 12 12 MET HA H 12 4.256 4.256 4.478 -0.222 17990
307 1 7 . 1 1 12 12 MET CA C 12 57.390 57.390 57.622 -0.232 17990
308 1 7 . 1 1 12 12 MET H H 12 7.980 7.980 7.367 0.613 17990
309 1 7 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.482 -1.992 17990
310 1 7 . 1 1 16 16 GLY H H 16 8.375 8.375 8.255 0.120 17990
311 1 7 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.037 -0.737 17990
312 1 7 . 1 1 17 17 GLY H H 17 8.046 8.046 8.432 -0.386 17990
313 1 7 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.225 0.203 17990
314 1 7 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.038 0.242 17990
315 1 7 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.477 -0.327 17990
316 1 7 . 1 1 20 20 GLY H H 20 8.415 8.415 8.532 -0.117 17990
317 1 7 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.239 0.081 17990
318 1 7 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.617 -0.597 17990
319 1 7 . 1 1 21 21 ALA H H 21 8.002 8.002 8.087 -0.085 17990
320 1 7 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.802 -0.240 17990
321 1 7 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.418 1.902 17990
322 1 7 . 1 1 22 22 GLU H H 22 8.318 8.318 8.415 -0.097 17990
323 1 8 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.080 0.206 17990
324 1 8 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.967 0.173 17990
325 1 8 . 1 1 2 2 LEU H H 2 8.708 8.708 8.292 0.416 17990
326 1 8 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.974 -0.624 17990
327 1 8 . 1 1 3 3 GLY H H 3 8.955 8.955 7.530 1.425 17990
328 1 8 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.533 -0.236 17990
329 1 8 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.856 0.274 17990
330 1 8 . 1 1 4 4 PHE H H 4 7.852 7.852 8.309 -0.457 17990
331 1 8 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.421 0.721 17990
332 1 8 . 1 1 5 5 PHE CA C 5 60.950 60.950 57.984 2.966 17990
333 1 8 . 1 1 5 5 PHE H H 5 7.629 7.629 6.760 0.869 17990
334 1 8 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.732 0.315 17990
335 1 8 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.745 -0.395 17990
336 1 8 . 1 1 6 6 LYS H H 6 7.856 7.856 7.315 0.541 17990
337 1 8 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.166 -0.123 17990
338 1 8 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.660 -0.090 17990
339 1 8 . 1 1 7 7 ARG H H 7 8.164 8.164 7.430 0.734 17990
340 1 8 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.183 -0.045 17990
341 1 8 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.782 -1.692 17990
342 1 8 . 1 1 8 8 GLN H H 8 7.941 7.941 7.590 0.351 17990
343 1 8 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.408 -0.260 17990
344 1 8 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.230 2.690 17990
345 1 8 . 1 1 9 9 TYR H H 9 8.148 8.148 8.289 -0.141 17990
346 1 8 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.124 -0.246 17990
347 1 8 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.516 5.204 17990
348 1 8 . 1 1 10 10 LYS H H 10 7.971 7.971 7.551 0.420 17990
349 1 8 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.562 -0.116 17990
350 1 8 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.755 -1.665 17990
351 1 8 . 1 1 11 11 ASP H H 11 8.133 8.133 7.794 0.339 17990
352 1 8 . 1 1 12 12 MET HA H 12 4.256 4.256 4.283 -0.027 17990
353 1 8 . 1 1 12 12 MET CA C 12 57.390 57.390 57.160 0.230 17990
354 1 8 . 1 1 12 12 MET H H 12 7.980 7.980 7.400 0.580 17990
355 1 8 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.432 -1.942 17990
356 1 8 . 1 1 16 16 GLY H H 16 8.375 8.375 8.386 -0.011 17990
357 1 8 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.058 -0.758 17990
358 1 8 . 1 1 17 17 GLY H H 17 8.046 8.046 8.370 -0.324 17990
359 1 8 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
360 1 8 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.172 0.108 17990
361 1 8 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990
362 1 8 . 1 1 20 20 GLY H H 20 8.415 8.415 8.517 -0.102 17990
363 1 8 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.241 0.079 17990
364 1 8 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.708 -0.688 17990
365 1 8 . 1 1 21 21 ALA H H 21 8.002 8.002 8.016 -0.014 17990
366 1 8 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.699 -0.137 17990
367 1 8 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.390 1.930 17990
368 1 8 . 1 1 22 22 GLU H H 22 8.318 8.318 8.209 0.109 17990
369 1 9 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990
370 1 9 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.835 0.305 17990
371 1 9 . 1 1 2 2 LEU H H 2 8.708 8.708 8.258 0.450 17990
372 1 9 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.983 -0.633 17990
373 1 9 . 1 1 3 3 GLY H H 3 8.955 8.955 7.500 1.455 17990
374 1 9 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.541 -0.244 17990
375 1 9 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.876 0.254 17990
376 1 9 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
377 1 9 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.499 0.643 17990
378 1 9 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.728 2.222 17990
379 1 9 . 1 1 5 5 PHE H H 5 7.629 7.629 6.811 0.818 17990
380 1 9 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.725 0.322 17990
381 1 9 . 1 1 6 6 LYS CA C 6 58.350 58.350 59.186 -0.836 17990
382 1 9 . 1 1 6 6 LYS H H 6 7.856 7.856 7.474 0.382 17990
383 1 9 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.140 -0.097 17990
384 1 9 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.714 -0.144 17990
385 1 9 . 1 1 7 7 ARG H H 7 8.164 8.164 7.359 0.805 17990
386 1 9 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.237 -0.099 17990
387 1 9 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.350 -1.260 17990
388 1 9 . 1 1 8 8 GLN H H 8 7.941 7.941 7.617 0.324 17990
389 1 9 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.389 -0.241 17990
390 1 9 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.574 2.346 17990
391 1 9 . 1 1 9 9 TYR H H 9 8.148 8.148 8.305 -0.157 17990
392 1 9 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.137 -0.259 17990
393 1 9 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.575 5.145 17990
394 1 9 . 1 1 10 10 LYS H H 10 7.971 7.971 7.614 0.357 17990
395 1 9 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.518 -0.072 17990
396 1 9 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.755 -1.665 17990
397 1 9 . 1 1 11 11 ASP H H 11 8.133 8.133 7.825 0.308 17990
398 1 9 . 1 1 12 12 MET HA H 12 4.256 4.256 4.286 -0.030 17990
399 1 9 . 1 1 12 12 MET CA C 12 57.390 57.390 57.385 0.005 17990
400 1 9 . 1 1 12 12 MET H H 12 7.980 7.980 7.424 0.556 17990
401 1 9 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.514 -2.024 17990
402 1 9 . 1 1 16 16 GLY H H 16 8.375 8.375 8.292 0.083 17990
403 1 9 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.055 -0.755 17990
404 1 9 . 1 1 17 17 GLY H H 17 8.046 8.046 8.355 -0.309 17990
405 1 9 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.199 0.229 17990
406 1 9 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.031 0.249 17990
407 1 9 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.464 -0.313 17990
408 1 9 . 1 1 20 20 GLY H H 20 8.415 8.415 8.538 -0.123 17990
409 1 9 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.186 0.134 17990
410 1 9 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.653 -0.633 17990
411 1 9 . 1 1 21 21 ALA H H 21 8.002 8.002 7.803 0.199 17990
412 1 9 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.775 -0.213 17990
413 1 9 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.459 1.861 17990
414 1 9 . 1 1 22 22 GLU H H 22 8.318 8.318 8.272 0.046 17990
415 1 10 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.022 0.264 17990
416 1 10 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.836 0.304 17990
417 1 10 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990
418 1 10 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.991 -0.641 17990
419 1 10 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990
420 1 10 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990
421 1 10 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.835 0.295 17990
422 1 10 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
423 1 10 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.538 0.604 17990
424 1 10 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.754 2.196 17990
425 1 10 . 1 1 5 5 PHE H H 5 7.629 7.629 6.806 0.823 17990
426 1 10 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.768 0.279 17990
427 1 10 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.358 -0.008 17990
428 1 10 . 1 1 6 6 LYS H H 6 7.856 7.856 7.331 0.525 17990
429 1 10 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.168 -0.125 17990
430 1 10 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.661 -0.091 17990
431 1 10 . 1 1 7 7 ARG H H 7 8.164 8.164 7.409 0.755 17990
432 1 10 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.174 -0.036 17990
433 1 10 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.687 -1.597 17990
434 1 10 . 1 1 8 8 GLN H H 8 7.941 7.941 7.524 0.417 17990
435 1 10 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.466 -0.319 17990
436 1 10 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.315 2.605 17990
437 1 10 . 1 1 9 9 TYR H H 9 8.148 8.148 8.321 -0.173 17990
438 1 10 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.149 -0.271 17990
439 1 10 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.359 5.361 17990
440 1 10 . 1 1 10 10 LYS H H 10 7.971 7.971 7.603 0.368 17990
441 1 10 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.534 -0.088 17990
442 1 10 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.547 -1.457 17990
443 1 10 . 1 1 11 11 ASP H H 11 8.133 8.133 7.856 0.277 17990
444 1 10 . 1 1 12 12 MET HA H 12 4.256 4.256 4.247 0.009 17990
445 1 10 . 1 1 12 12 MET CA C 12 57.390 57.390 58.167 -0.777 17990
446 1 10 . 1 1 12 12 MET H H 12 7.980 7.980 7.460 0.520 17990
447 1 10 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.407 -1.917 17990
448 1 10 . 1 1 16 16 GLY H H 16 8.375 8.375 8.200 0.175 17990
449 1 10 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.042 -0.742 17990
450 1 10 . 1 1 17 17 GLY H H 17 8.046 8.046 8.363 -0.317 17990
451 1 10 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
452 1 10 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990
453 1 10 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.449 -0.299 17990
454 1 10 . 1 1 20 20 GLY H H 20 8.415 8.415 8.535 -0.120 17990
455 1 10 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.184 0.136 17990
456 1 10 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.635 -0.615 17990
457 1 10 . 1 1 21 21 ALA H H 21 8.002 8.002 7.830 0.172 17990
458 1 10 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.769 -0.207 17990
459 1 10 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.012 2.308 17990
460 1 10 . 1 1 22 22 GLU H H 22 8.318 8.318 8.270 0.048 17990
461 1 11 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.022 0.264 17990
462 1 11 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.837 0.303 17990
463 1 11 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990
464 1 11 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.990 -0.640 17990
465 1 11 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990
466 1 11 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990
467 1 11 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.836 0.294 17990
468 1 11 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
469 1 11 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.537 0.605 17990
470 1 11 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.774 2.176 17990
471 1 11 . 1 1 5 5 PHE H H 5 7.629 7.629 6.805 0.824 17990
472 1 11 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.754 0.293 17990
473 1 11 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.355 -0.005 17990
474 1 11 . 1 1 6 6 LYS H H 6 7.856 7.856 7.349 0.507 17990
475 1 11 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.106 -0.063 17990
476 1 11 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.817 -0.247 17990
477 1 11 . 1 1 7 7 ARG H H 7 8.164 8.164 7.492 0.672 17990
478 1 11 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.177 -0.039 17990
479 1 11 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.611 -1.521 17990
480 1 11 . 1 1 8 8 GLN H H 8 7.941 7.941 7.580 0.361 17990
481 1 11 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.476 -0.328 17990
482 1 11 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.988 2.932 17990
483 1 11 . 1 1 9 9 TYR H H 9 8.148 8.148 8.249 -0.101 17990
484 1 11 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.145 -0.267 17990
485 1 11 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.747 4.973 17990
486 1 11 . 1 1 10 10 LYS H H 10 7.971 7.971 7.613 0.358 17990
487 1 11 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.588 -0.142 17990
488 1 11 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.588 -1.498 17990
489 1 11 . 1 1 11 11 ASP H H 11 8.133 8.133 7.894 0.239 17990
490 1 11 . 1 1 12 12 MET HA H 12 4.256 4.256 4.469 -0.213 17990
491 1 11 . 1 1 12 12 MET CA C 12 57.390 57.390 57.738 -0.348 17990
492 1 11 . 1 1 12 12 MET H H 12 7.980 7.980 7.337 0.643 17990
493 1 11 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.428 -1.938 17990
494 1 11 . 1 1 16 16 GLY H H 16 8.375 8.375 8.365 0.010 17990
495 1 11 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.055 -0.755 17990
496 1 11 . 1 1 17 17 GLY H H 17 8.046 8.046 8.416 -0.370 17990
497 1 11 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
498 1 11 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.147 0.133 17990
499 1 11 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.467 -0.316 17990
500 1 11 . 1 1 20 20 GLY H H 20 8.415 8.415 8.524 -0.109 17990
501 1 11 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.228 0.092 17990
502 1 11 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.620 -0.600 17990
503 1 11 . 1 1 21 21 ALA H H 21 8.002 8.002 8.028 -0.026 17990
504 1 11 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.802 -0.240 17990
505 1 11 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.334 1.986 17990
506 1 11 . 1 1 22 22 GLU H H 22 8.318 8.318 8.432 -0.114 17990
507 1 12 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.048 0.238 17990
508 1 12 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.938 0.202 17990
509 1 12 . 1 1 2 2 LEU H H 2 8.708 8.708 8.280 0.428 17990
510 1 12 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.980 -0.630 17990
511 1 12 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990
512 1 12 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.540 -0.243 17990
513 1 12 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.874 0.256 17990
514 1 12 . 1 1 4 4 PHE H H 4 7.852 7.852 8.292 -0.440 17990
515 1 12 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.504 0.638 17990
516 1 12 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.696 2.254 17990
517 1 12 . 1 1 5 5 PHE H H 5 7.629 7.629 6.804 0.825 17990
518 1 12 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.734 0.313 17990
519 1 12 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.758 -0.408 17990
520 1 12 . 1 1 6 6 LYS H H 6 7.856 7.856 7.298 0.558 17990
521 1 12 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.159 -0.116 17990
522 1 12 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.092 0.478 17990
523 1 12 . 1 1 7 7 ARG H H 7 8.164 8.164 7.380 0.784 17990
524 1 12 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.194 -0.056 17990
525 1 12 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.588 -1.498 17990
526 1 12 . 1 1 8 8 GLN H H 8 7.941 7.941 7.556 0.385 17990
527 1 12 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.351 -0.203 17990
528 1 12 . 1 1 9 9 TYR CA C 9 60.920 60.920 59.075 1.845 17990
529 1 12 . 1 1 9 9 TYR H H 9 8.148 8.148 8.415 -0.267 17990
530 1 12 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.094 -0.216 17990
531 1 12 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.888 4.832 17990
532 1 12 . 1 1 10 10 LYS H H 10 7.971 7.971 7.625 0.346 17990
533 1 12 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.486 -0.040 17990
534 1 12 . 1 1 11 11 ASP CA C 11 55.090 55.090 57.367 -2.277 17990
535 1 12 . 1 1 11 11 ASP H H 11 8.133 8.133 7.847 0.286 17990
536 1 12 . 1 1 12 12 MET HA H 12 4.256 4.256 4.305 -0.049 17990
537 1 12 . 1 1 12 12 MET CA C 12 57.390 57.390 57.198 0.192 17990
538 1 12 . 1 1 12 12 MET H H 12 7.980 7.980 7.436 0.544 17990
539 1 12 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.389 -1.899 17990
540 1 12 . 1 1 16 16 GLY H H 16 8.375 8.375 8.180 0.195 17990
541 1 12 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.054 -0.754 17990
542 1 12 . 1 1 17 17 GLY H H 17 8.046 8.046 8.336 -0.290 17990
543 1 12 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.260 0.168 17990
544 1 12 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990
545 1 12 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.438 -0.288 17990
546 1 12 . 1 1 20 20 GLY H H 20 8.415 8.415 8.534 -0.119 17990
547 1 12 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.233 0.087 17990
548 1 12 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.846 -0.827 17990
549 1 12 . 1 1 21 21 ALA H H 21 8.002 8.002 7.881 0.121 17990
550 1 12 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.774 -0.212 17990
551 1 12 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.418 1.902 17990
552 1 12 . 1 1 22 22 GLU H H 22 8.318 8.318 8.245 0.073 17990
553 1 13 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.020 0.266 17990
554 1 13 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.834 0.306 17990
555 1 13 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990
556 1 13 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.988 -0.638 17990
557 1 13 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990
558 1 13 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.418 -0.121 17990
559 1 13 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.121 0.009 17990
560 1 13 . 1 1 4 4 PHE H H 4 7.852 7.852 8.195 -0.343 17990
561 1 13 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.528 0.614 17990
562 1 13 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.775 2.175 17990
563 1 13 . 1 1 5 5 PHE H H 5 7.629 7.629 6.802 0.827 17990
564 1 13 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.797 0.250 17990
565 1 13 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.348 0.002 17990
566 1 13 . 1 1 6 6 LYS H H 6 7.856 7.856 7.296 0.560 17990
567 1 13 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.215 -0.172 17990
568 1 13 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.027 0.543 17990
569 1 13 . 1 1 7 7 ARG H H 7 8.164 8.164 7.454 0.710 17990
570 1 13 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.189 -0.051 17990
571 1 13 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.857 -1.767 17990
572 1 13 . 1 1 8 8 GLN H H 8 7.941 7.941 7.575 0.366 17990
573 1 13 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.516 -0.368 17990
574 1 13 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.689 3.231 17990
575 1 13 . 1 1 9 9 TYR H H 9 8.148 8.148 8.241 -0.093 17990
576 1 13 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.157 -0.279 17990
577 1 13 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.548 5.172 17990
578 1 13 . 1 1 10 10 LYS H H 10 7.971 7.971 7.637 0.334 17990
579 1 13 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.582 -0.136 17990
580 1 13 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.463 -1.373 17990
581 1 13 . 1 1 11 11 ASP H H 11 8.133 8.133 7.826 0.307 17990
582 1 13 . 1 1 12 12 MET HA H 12 4.256 4.256 4.500 -0.244 17990
583 1 13 . 1 1 12 12 MET CA C 12 57.390 57.390 57.343 0.047 17990
584 1 13 . 1 1 12 12 MET H H 12 7.980 7.980 7.479 0.501 17990
585 1 13 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.647 -2.157 17990
586 1 13 . 1 1 16 16 GLY H H 16 8.375 8.375 8.376 -0.001 17990
587 1 13 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.032 -0.732 17990
588 1 13 . 1 1 17 17 GLY H H 17 8.046 8.046 8.441 -0.396 17990
589 1 13 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990
590 1 13 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.152 0.128 17990
591 1 13 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.454 -0.304 17990
592 1 13 . 1 1 20 20 GLY H H 20 8.415 8.415 8.539 -0.124 17990
593 1 13 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.228 0.092 17990
594 1 13 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.571 -0.551 17990
595 1 13 . 1 1 21 21 ALA H H 21 8.002 8.002 7.946 0.056 17990
596 1 13 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.824 -0.262 17990
597 1 13 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.663 1.657 17990
598 1 13 . 1 1 22 22 GLU H H 22 8.318 8.318 8.431 -0.113 17990
599 1 14 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990
600 1 14 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.832 0.308 17990
601 1 14 . 1 1 2 2 LEU H H 2 8.708 8.708 8.257 0.451 17990
602 1 14 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.985 -0.635 17990
603 1 14 . 1 1 3 3 GLY H H 3 8.955 8.955 7.500 1.455 17990
604 1 14 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.541 -0.244 17990
605 1 14 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.871 0.259 17990
606 1 14 . 1 1 4 4 PHE H H 4 7.852 7.852 8.261 -0.409 17990
607 1 14 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.501 0.641 17990
608 1 14 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.684 2.266 17990
609 1 14 . 1 1 5 5 PHE H H 5 7.629 7.629 6.807 0.822 17990
610 1 14 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.776 0.271 17990
611 1 14 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.792 -0.442 17990
612 1 14 . 1 1 6 6 LYS H H 6 7.856 7.856 7.387 0.469 17990
613 1 14 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.180 -0.137 17990
614 1 14 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.363 0.207 17990
615 1 14 . 1 1 7 7 ARG H H 7 8.164 8.164 7.504 0.660 17990
616 1 14 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.186 -0.048 17990
617 1 14 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.756 -1.666 17990
618 1 14 . 1 1 8 8 GLN H H 8 7.941 7.941 7.544 0.397 17990
619 1 14 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.479 -0.331 17990
620 1 14 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.858 3.062 17990
621 1 14 . 1 1 9 9 TYR H H 9 8.148 8.148 8.232 -0.083 17990
622 1 14 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.130 -0.252 17990
623 1 14 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.764 4.957 17990
624 1 14 . 1 1 10 10 LYS H H 10 7.971 7.971 7.618 0.353 17990
625 1 14 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.569 -0.123 17990
626 1 14 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.752 -1.662 17990
627 1 14 . 1 1 11 11 ASP H H 11 8.133 8.133 7.877 0.256 17990
628 1 14 . 1 1 12 12 MET HA H 12 4.256 4.256 4.472 -0.216 17990
629 1 14 . 1 1 12 12 MET CA C 12 57.390 57.390 57.711 -0.321 17990
630 1 14 . 1 1 12 12 MET H H 12 7.980 7.980 7.364 0.616 17990
631 1 14 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.555 -2.065 17990
632 1 14 . 1 1 16 16 GLY H H 16 8.375 8.375 8.305 0.070 17990
633 1 14 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.046 -0.746 17990
634 1 14 . 1 1 17 17 GLY H H 17 8.046 8.046 8.421 -0.375 17990
635 1 14 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990
636 1 14 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990
637 1 14 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.492 -0.342 17990
638 1 14 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990
639 1 14 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.246 0.074 17990
640 1 14 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.730 -0.710 17990
641 1 14 . 1 1 21 21 ALA H H 21 8.002 8.002 8.081 -0.079 17990
642 1 14 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.801 -0.239 17990
643 1 14 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.474 1.846 17990
644 1 14 . 1 1 22 22 GLU H H 22 8.318 8.318 8.405 -0.087 17990
645 1 15 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990
646 1 15 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.832 0.308 17990
647 1 15 . 1 1 2 2 LEU H H 2 8.708 8.708 8.257 0.451 17990
648 1 15 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990
649 1 15 . 1 1 3 3 GLY H H 3 8.955 8.955 7.508 1.447 17990
650 1 15 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.543 -0.246 17990
651 1 15 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.832 0.298 17990
652 1 15 . 1 1 4 4 PHE H H 4 7.852 7.852 8.260 -0.408 17990
653 1 15 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.494 0.648 17990
654 1 15 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.204 2.746 17990
655 1 15 . 1 1 5 5 PHE H H 5 7.629 7.629 6.743 0.886 17990
656 1 15 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.755 0.292 17990
657 1 15 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.805 -0.455 17990
658 1 15 . 1 1 6 6 LYS H H 6 7.856 7.856 7.336 0.520 17990
659 1 15 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.168 -0.125 17990
660 1 15 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.708 -0.138 17990
661 1 15 . 1 1 7 7 ARG H H 7 8.164 8.164 7.458 0.706 17990
662 1 15 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.195 -0.057 17990
663 1 15 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.690 -1.600 17990
664 1 15 . 1 1 8 8 GLN H H 8 7.941 7.941 7.680 0.261 17990
665 1 15 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.388 -0.240 17990
666 1 15 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.514 2.406 17990
667 1 15 . 1 1 9 9 TYR H H 9 8.148 8.148 8.287 -0.139 17990
668 1 15 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.097 -0.219 17990
669 1 15 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.743 4.977 17990
670 1 15 . 1 1 10 10 LYS H H 10 7.971 7.971 7.571 0.400 17990
671 1 15 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.502 -0.056 17990
672 1 15 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.666 -1.576 17990
673 1 15 . 1 1 11 11 ASP H H 11 8.133 8.133 7.829 0.304 17990
674 1 15 . 1 1 12 12 MET HA H 12 4.256 4.256 4.465 -0.209 17990
675 1 15 . 1 1 12 12 MET CA C 12 57.390 57.390 56.951 0.439 17990
676 1 15 . 1 1 12 12 MET H H 12 7.980 7.980 7.374 0.606 17990
677 1 15 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.501 -2.011 17990
678 1 15 . 1 1 16 16 GLY H H 16 8.375 8.375 8.349 0.026 17990
679 1 15 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.033 -0.733 17990
680 1 15 . 1 1 17 17 GLY H H 17 8.046 8.046 8.339 -0.293 17990
681 1 15 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
682 1 15 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.166 0.114 17990
683 1 15 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990
684 1 15 . 1 1 20 20 GLY H H 20 8.415 8.415 8.512 -0.097 17990
685 1 15 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.191 0.129 17990
686 1 15 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.603 -0.583 17990
687 1 15 . 1 1 21 21 ALA H H 21 8.002 8.002 7.884 0.118 17990
688 1 15 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.711 -0.149 17990
689 1 15 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.130 2.189 17990
690 1 15 . 1 1 22 22 GLU H H 22 8.318 8.318 8.222 0.096 17990
691 1 16 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990
692 1 16 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.828 0.312 17990
693 1 16 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990
694 1 16 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990
695 1 16 . 1 1 3 3 GLY H H 3 8.955 8.955 7.508 1.447 17990
696 1 16 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990
697 1 16 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.835 0.295 17990
698 1 16 . 1 1 4 4 PHE H H 4 7.852 7.852 8.258 -0.406 17990
699 1 16 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.498 0.644 17990
700 1 16 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.676 2.274 17990
701 1 16 . 1 1 5 5 PHE H H 5 7.629 7.629 6.807 0.822 17990
702 1 16 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.745 0.302 17990
703 1 16 . 1 1 6 6 LYS CA C 6 58.350 58.350 59.048 -0.698 17990
704 1 16 . 1 1 6 6 LYS H H 6 7.856 7.856 7.454 0.402 17990
705 1 16 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.181 -0.138 17990
706 1 16 . 1 1 7 7 ARG CA C 7 58.570 58.570 57.752 0.818 17990
707 1 16 . 1 1 7 7 ARG H H 7 8.164 8.164 7.471 0.693 17990
708 1 16 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.201 -0.063 17990
709 1 16 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.780 -1.690 17990
710 1 16 . 1 1 8 8 GLN H H 8 7.941 7.941 7.582 0.359 17990
711 1 16 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.410 -0.262 17990
712 1 16 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.523 2.397 17990
713 1 16 . 1 1 9 9 TYR H H 9 8.148 8.148 8.332 -0.184 17990
714 1 16 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.183 -0.305 17990
715 1 16 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.640 5.080 17990
716 1 16 . 1 1 10 10 LYS H H 10 7.971 7.971 7.616 0.355 17990
717 1 16 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.612 -0.166 17990
718 1 16 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.650 -1.560 17990
719 1 16 . 1 1 11 11 ASP H H 11 8.133 8.133 7.850 0.283 17990
720 1 16 . 1 1 12 12 MET HA H 12 4.256 4.256 4.264 -0.008 17990
721 1 16 . 1 1 12 12 MET CA C 12 57.390 57.390 57.871 -0.481 17990
722 1 16 . 1 1 12 12 MET H H 12 7.980 7.980 7.481 0.499 17990
723 1 16 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.678 -2.188 17990
724 1 16 . 1 1 16 16 GLY H H 16 8.375 8.375 8.449 -0.074 17990
725 1 16 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.030 -0.730 17990
726 1 16 . 1 1 17 17 GLY H H 17 8.046 8.046 8.443 -0.397 17990
727 1 16 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.223 0.205 17990
728 1 16 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.032 0.248 17990
729 1 16 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.447 -0.297 17990
730 1 16 . 1 1 20 20 GLY H H 20 8.415 8.415 8.539 -0.124 17990
731 1 16 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.255 0.065 17990
732 1 16 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.686 -0.666 17990
733 1 16 . 1 1 21 21 ALA H H 21 8.002 8.002 8.035 -0.033 17990
734 1 16 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.807 -0.245 17990
735 1 16 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.457 1.863 17990
736 1 16 . 1 1 22 22 GLU H H 22 8.318 8.318 8.430 -0.112 17990
737 1 17 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.006 0.280 17990
738 1 17 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.853 0.287 17990
739 1 17 . 1 1 2 2 LEU H H 2 8.708 8.708 8.260 0.448 17990
740 1 17 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.994 -0.644 17990
741 1 17 . 1 1 3 3 GLY H H 3 8.955 8.955 7.482 1.473 17990
742 1 17 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990
743 1 17 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.859 0.271 17990
744 1 17 . 1 1 4 4 PHE H H 4 7.852 7.852 8.272 -0.420 17990
745 1 17 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.536 0.606 17990
746 1 17 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.741 2.209 17990
747 1 17 . 1 1 5 5 PHE H H 5 7.629 7.629 6.809 0.820 17990
748 1 17 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.813 0.234 17990
749 1 17 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.339 0.011 17990
750 1 17 . 1 1 6 6 LYS H H 6 7.856 7.856 7.388 0.468 17990
751 1 17 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.232 -0.189 17990
752 1 17 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.032 0.538 17990
753 1 17 . 1 1 7 7 ARG H H 7 8.164 8.164 7.467 0.697 17990
754 1 17 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.194 -0.056 17990
755 1 17 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.715 -1.625 17990
756 1 17 . 1 1 8 8 GLN H H 8 7.941 7.941 7.530 0.411 17990
757 1 17 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.460 -0.312 17990
758 1 17 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.420 2.500 17990
759 1 17 . 1 1 9 9 TYR H H 9 8.148 8.148 8.320 -0.172 17990
760 1 17 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.138 -0.260 17990
761 1 17 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.684 5.036 17990
762 1 17 . 1 1 10 10 LYS H H 10 7.971 7.971 7.669 0.302 17990
763 1 17 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.543 -0.097 17990
764 1 17 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.935 -1.845 17990
765 1 17 . 1 1 11 11 ASP H H 11 8.133 8.133 7.820 0.313 17990
766 1 17 . 1 1 12 12 MET HA H 12 4.256 4.256 4.451 -0.195 17990
767 1 17 . 1 1 12 12 MET CA C 12 57.390 57.390 57.975 -0.585 17990
768 1 17 . 1 1 12 12 MET H H 12 7.980 7.980 7.499 0.481 17990
769 1 17 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.331 -1.841 17990
770 1 17 . 1 1 16 16 GLY H H 16 8.375 8.375 8.313 0.062 17990
771 1 17 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.096 -0.796 17990
772 1 17 . 1 1 17 17 GLY H H 17 8.046 8.046 8.535 -0.489 17990
773 1 17 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.277 0.151 17990
774 1 17 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990
775 1 17 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.541 -0.390 17990
776 1 17 . 1 1 20 20 GLY H H 20 8.415 8.415 8.614 -0.199 17990
777 1 17 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.174 0.146 17990
778 1 17 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.693 -0.673 17990
779 1 17 . 1 1 21 21 ALA H H 21 8.002 8.002 8.155 -0.153 17990
780 1 17 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.758 -0.196 17990
781 1 17 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.161 2.159 17990
782 1 17 . 1 1 22 22 GLU H H 22 8.318 8.318 8.320 -0.002 17990
783 1 18 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.046 0.240 17990
784 1 18 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.935 0.205 17990
785 1 18 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990
786 1 18 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990
787 1 18 . 1 1 3 3 GLY H H 3 8.955 8.955 7.499 1.456 17990
788 1 18 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.535 -0.238 17990
789 1 18 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.919 0.211 17990
790 1 18 . 1 1 4 4 PHE H H 4 7.852 7.852 8.288 -0.436 17990
791 1 18 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.490 0.652 17990
792 1 18 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.767 2.183 17990
793 1 18 . 1 1 5 5 PHE H H 5 7.629 7.629 6.790 0.839 17990
794 1 18 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.735 0.312 17990
795 1 18 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.803 -0.453 17990
796 1 18 . 1 1 6 6 LYS H H 6 7.856 7.856 7.388 0.468 17990
797 1 18 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.190 -0.147 17990
798 1 18 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.636 -0.066 17990
799 1 18 . 1 1 7 7 ARG H H 7 8.164 8.164 7.335 0.829 17990
800 1 18 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.187 -0.049 17990
801 1 18 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.463 -1.373 17990
802 1 18 . 1 1 8 8 GLN H H 8 7.941 7.941 7.555 0.386 17990
803 1 18 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.468 -0.320 17990
804 1 18 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.961 1.959 17990
805 1 18 . 1 1 9 9 TYR H H 9 8.148 8.148 8.313 -0.165 17990
806 1 18 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.132 -0.254 17990
807 1 18 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.810 4.910 17990
808 1 18 . 1 1 10 10 LYS H H 10 7.971 7.971 7.629 0.342 17990
809 1 18 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.531 -0.085 17990
810 1 18 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.526 -1.436 17990
811 1 18 . 1 1 11 11 ASP H H 11 8.133 8.133 7.889 0.244 17990
812 1 18 . 1 1 12 12 MET HA H 12 4.256 4.256 4.332 -0.076 17990
813 1 18 . 1 1 12 12 MET CA C 12 57.390 57.390 57.518 -0.128 17990
814 1 18 . 1 1 12 12 MET H H 12 7.980 7.980 7.471 0.509 17990
815 1 18 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.559 -2.069 17990
816 1 18 . 1 1 16 16 GLY H H 16 8.375 8.375 8.329 0.046 17990
817 1 18 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.028 -0.728 17990
818 1 18 . 1 1 17 17 GLY H H 17 8.046 8.046 8.444 -0.398 17990
819 1 18 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.256 0.172 17990
820 1 18 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.149 0.131 17990
821 1 18 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.451 -0.301 17990
822 1 18 . 1 1 20 20 GLY H H 20 8.415 8.415 8.537 -0.122 17990
823 1 18 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.246 0.074 17990
824 1 18 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.543 -0.523 17990
825 1 18 . 1 1 21 21 ALA H H 21 8.002 8.002 8.041 -0.039 17990
826 1 18 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.805 -0.243 17990
827 1 18 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.451 1.869 17990
828 1 18 . 1 1 22 22 GLU H H 22 8.318 8.318 8.433 -0.115 17990
829 1 19 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.028 0.258 17990
830 1 19 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.907 0.233 17990
831 1 19 . 1 1 2 2 LEU H H 2 8.708 8.708 8.268 0.440 17990
832 1 19 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.983 -0.632 17990
833 1 19 . 1 1 3 3 GLY H H 3 8.955 8.955 7.522 1.433 17990
834 1 19 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990
835 1 19 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.841 0.289 17990
836 1 19 . 1 1 4 4 PHE H H 4 7.852 7.852 8.260 -0.408 17990
837 1 19 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.500 0.642 17990
838 1 19 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.686 2.264 17990
839 1 19 . 1 1 5 5 PHE H H 5 7.629 7.629 6.810 0.819 17990
840 1 19 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.751 0.296 17990
841 1 19 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.793 -0.443 17990
842 1 19 . 1 1 6 6 LYS H H 6 7.856 7.856 7.325 0.531 17990
843 1 19 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.175 -0.132 17990
844 1 19 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.681 -0.111 17990
845 1 19 . 1 1 7 7 ARG H H 7 8.164 8.164 7.454 0.710 17990
846 1 19 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.172 -0.034 17990
847 1 19 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.629 -1.539 17990
848 1 19 . 1 1 8 8 GLN H H 8 7.941 7.941 7.532 0.409 17990
849 1 19 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.444 -0.296 17990
850 1 19 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.616 2.304 17990
851 1 19 . 1 1 9 9 TYR H H 9 8.148 8.148 8.271 -0.123 17990
852 1 19 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.181 -0.303 17990
853 1 19 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.786 4.934 17990
854 1 19 . 1 1 10 10 LYS H H 10 7.971 7.971 7.672 0.299 17990
855 1 19 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.548 -0.102 17990
856 1 19 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.226 -1.136 17990
857 1 19 . 1 1 11 11 ASP H H 11 8.133 8.133 7.883 0.250 17990
858 1 19 . 1 1 12 12 MET HA H 12 4.256 4.256 4.335 -0.079 17990
859 1 19 . 1 1 12 12 MET CA C 12 57.390 57.390 57.873 -0.483 17990
860 1 19 . 1 1 12 12 MET H H 12 7.980 7.980 7.473 0.507 17990
861 1 19 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.573 -2.083 17990
862 1 19 . 1 1 16 16 GLY H H 16 8.375 8.375 8.579 -0.204 17990
863 1 19 . 1 1 17 17 GLY CA C 17 44.300 44.300 44.946 -0.646 17990
864 1 19 . 1 1 17 17 GLY H H 17 8.046 8.046 8.522 -0.476 17990
865 1 19 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990
866 1 19 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.137 0.143 17990
867 1 19 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.541 -0.391 17990
868 1 19 . 1 1 20 20 GLY H H 20 8.415 8.415 8.506 -0.091 17990
869 1 19 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.266 0.054 17990
870 1 19 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.623 -0.603 17990
871 1 19 . 1 1 21 21 ALA H H 21 8.002 8.002 8.034 -0.032 17990
872 1 19 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.804 -0.242 17990
873 1 19 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.433 1.887 17990
874 1 19 . 1 1 22 22 GLU H H 22 8.318 8.318 8.439 -0.121 17990
875 1 20 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.052 0.234 17990
876 1 20 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.942 0.198 17990
877 1 20 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990
878 1 20 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.989 -0.639 17990
879 1 20 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990
880 1 20 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990
881 1 20 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.885 0.245 17990
882 1 20 . 1 1 4 4 PHE H H 4 7.852 7.852 8.294 -0.442 17990
883 1 20 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.533 0.609 17990
884 1 20 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.832 2.118 17990
885 1 20 . 1 1 5 5 PHE H H 5 7.629 7.629 6.797 0.832 17990
886 1 20 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.740 0.307 17990
887 1 20 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.349 0.001 17990
888 1 20 . 1 1 6 6 LYS H H 6 7.856 7.856 7.335 0.521 17990
889 1 20 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.152 -0.109 17990
890 1 20 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.670 -0.100 17990
891 1 20 . 1 1 7 7 ARG H H 7 8.164 8.164 7.442 0.722 17990
892 1 20 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.162 -0.024 17990
893 1 20 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.636 -1.546 17990
894 1 20 . 1 1 8 8 GLN H H 8 7.941 7.941 7.558 0.383 17990
895 1 20 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.484 -0.336 17990
896 1 20 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.961 2.959 17990
897 1 20 . 1 1 9 9 TYR H H 9 8.148 8.148 8.262 -0.114 17990
898 1 20 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.147 -0.269 17990
899 1 20 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.471 5.249 17990
900 1 20 . 1 1 10 10 LYS H H 10 7.971 7.971 7.546 0.425 17990
901 1 20 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.602 -0.156 17990
902 1 20 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.044 -0.954 17990
903 1 20 . 1 1 11 11 ASP H H 11 8.133 8.133 7.842 0.291 17990
904 1 20 . 1 1 12 12 MET HA H 12 4.256 4.256 4.482 -0.226 17990
905 1 20 . 1 1 12 12 MET CA C 12 57.390 57.390 57.333 0.057 17990
906 1 20 . 1 1 12 12 MET H H 12 7.980 7.980 7.433 0.547 17990
907 1 20 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.648 -2.158 17990
908 1 20 . 1 1 16 16 GLY H H 16 8.375 8.375 8.441 -0.066 17990
909 1 20 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.022 -0.722 17990
910 1 20 . 1 1 17 17 GLY H H 17 8.046 8.046 8.439 -0.393 17990
911 1 20 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.235 0.193 17990
912 1 20 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.042 0.238 17990
913 1 20 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990
914 1 20 . 1 1 20 20 GLY H H 20 8.415 8.415 8.536 -0.121 17990
915 1 20 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.233 0.087 17990
916 1 20 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.570 -0.550 17990
917 1 20 . 1 1 21 21 ALA H H 21 8.002 8.002 7.952 0.050 17990
918 1 20 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.826 -0.264 17990
919 1 20 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.742 1.578 17990
920 1 20 . 1 1 22 22 GLU H H 22 8.318 8.318 8.428 -0.110 17990
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 0 0.000 0.000 0.000 17990
2 1 1 "Average Difference" HA 21 0.291 -0.116 0.273 17990
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17990
4 1 1 "Average Difference" CA 17 1.707 -0.311 1.730 17990
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17990
6 1 1 "Average Difference" HN 16 0.554 -0.316 0.469 17990
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17990
8 1 2 "Average Difference" HA 21 0.291 -0.109 0.277 17990
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17990
10 1 2 "Average Difference" CA 17 1.841 -0.388 1.855 17990
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17990
12 1 2 "Average Difference" HN 16 0.556 -0.310 0.477 17990
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17990
14 1 3 "Average Difference" HA 21 0.301 -0.100 0.291 17990
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17990
16 1 3 "Average Difference" CA 17 1.696 -0.416 1.695 17990
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17990
18 1 3 "Average Difference" HN 16 0.553 -0.314 0.470 17990
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17990
20 1 4 "Average Difference" HA 21 0.294 -0.111 0.279 17990
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17990
22 1 4 "Average Difference" CA 17 1.796 -0.358 1.814 17990
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17990
24 1 4 "Average Difference" HN 16 0.558 -0.326 0.467 17990
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17990
26 1 5 "Average Difference" HA 21 0.275 -0.131 0.248 17990
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17990
28 1 5 "Average Difference" CA 17 1.726 -0.321 1.749 17990
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17990
30 1 5 "Average Difference" HN 16 0.549 -0.322 0.460 17990
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17990
32 1 6 "Average Difference" HA 21 0.287 -0.120 0.267 17990
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17990
34 1 6 "Average Difference" CA 17 1.779 -0.307 1.806 17990
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17990
36 1 6 "Average Difference" HN 16 0.543 -0.311 0.460 17990
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17990
38 1 7 "Average Difference" HA 21 0.318 -0.114 0.304 17990
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17990
40 1 7 "Average Difference" CA 17 1.838 -0.416 1.845 17990
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17990
42 1 7 "Average Difference" HN 16 0.555 -0.282 0.494 17990
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17990
44 1 8 "Average Difference" HA 21 0.294 -0.135 0.268 17990
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17990
46 1 8 "Average Difference" CA 17 1.849 -0.319 1.877 17990
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17990
48 1 8 "Average Difference" HN 16 0.553 -0.296 0.483 17990
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17990
50 1 9 "Average Difference" HA 21 0.292 -0.134 0.265 17990
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17990
52 1 9 "Average Difference" CA 17 1.736 -0.242 1.772 17990
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17990
54 1 9 "Average Difference" HN 16 0.546 -0.299 0.472 17990
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17990
56 1 10 "Average Difference" HA 21 0.287 -0.126 0.264 17990
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17990
58 1 10 "Average Difference" CA 17 1.819 -0.297 1.850 17990
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17990
60 1 10 "Average Difference" HN 16 0.550 -0.309 0.470 17990
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17990
62 1 11 "Average Difference" HA 21 0.299 -0.121 0.280 17990
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17990
64 1 11 "Average Difference" CA 17 1.751 -0.290 1.780 17990
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17990
66 1 11 "Average Difference" HN 16 0.545 -0.274 0.486 17990
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17990
68 1 12 "Average Difference" HA 21 0.283 -0.133 0.255 17990
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17990
70 1 12 "Average Difference" CA 17 1.694 -0.206 1.733 17990
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17990
72 1 12 "Average Difference" HN 16 0.556 -0.304 0.480 17990
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17990
74 1 13 "Average Difference" HA 21 0.302 -0.117 0.286 17990
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17990
76 1 13 "Average Difference" CA 17 1.816 -0.338 1.839 17990
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17990
78 1 13 "Average Difference" HN 16 0.542 -0.280 0.479 17990
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17990
80 1 14 "Average Difference" HA 21 0.300 -0.116 0.283 17990
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17990
82 1 14 "Average Difference" CA 17 1.789 -0.262 1.824 17990
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17990
84 1 14 "Average Difference" HN 16 0.543 -0.275 0.484 17990
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17990
86 1 15 "Average Difference" HA 21 0.290 -0.129 0.266 17990
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17990
88 1 15 "Average Difference" CA 17 1.782 -0.321 1.806 17990
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17990
90 1 15 "Average Difference" HN 16 0.550 -0.305 0.473 17990
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17990
92 1 16 "Average Difference" HA 21 0.303 -0.132 0.280 17990
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17990
94 1 16 "Average Difference" CA 17 1.772 -0.256 1.807 17990
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17990
96 1 16 "Average Difference" HN 16 0.536 -0.249 0.490 17990
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17990
98 1 17 "Average Difference" HA 21 0.295 -0.118 0.277 17990
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17990
100 1 17 "Average Difference" CA 17 1.766 -0.279 1.798 17990
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17990
102 1 17 "Average Difference" HN 16 0.550 -0.253 0.505 17990
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17990
104 1 18 "Average Difference" HA 21 0.301 -0.131 0.278 17990
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17990
106 1 18 "Average Difference" CA 17 1.646 -0.221 1.681 17990
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17990
108 1 18 "Average Difference" HN 16 0.554 -0.267 0.501 17990
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17990
110 1 19 "Average Difference" HA 21 0.292 -0.119 0.273 17990
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17990
112 1 19 "Average Difference" CA 17 1.685 -0.235 1.720 17990
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17990
114 1 19 "Average Difference" HN 16 0.545 -0.247 0.502 17990
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17990
116 1 20 "Average Difference" HA 21 0.304 -0.120 0.286 17990
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17990
118 1 20 "Average Difference" CA 17 1.761 -0.334 1.782 17990
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17990
120 1 20 "Average Difference" HN 16 0.551 -0.275 0.493 17990
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 17990
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.030 0.256 17990
2 1 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.895 0.245 17990
3 1 . 1 1 2 2 LEU H H 2 8.708 8.708 8.269 0.439 17990
4 1 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.985 -0.634 17990
5 1 . 1 1 3 3 GLY H H 3 8.955 8.955 7.510 1.445 17990
6 1 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.524 -0.227 17990
7 1 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.909 0.221 17990
8 1 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990
9 1 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.512 0.630 17990
10 1 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.609 2.341 17990
11 1 . 1 1 5 5 PHE H H 5 7.629 7.629 6.792 0.837 17990
12 1 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.760 0.287 17990
13 1 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.574 -0.224 17990
14 1 . 1 1 6 6 LYS H H 6 7.856 7.856 7.358 0.498 17990
15 1 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.176 -0.133 17990
16 1 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.446 0.124 17990
17 1 . 1 1 7 7 ARG H H 7 8.164 8.164 7.426 0.738 17990
18 1 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.192 -0.054 17990
19 1 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.587 -1.497 17990
20 1 . 1 1 8 8 GLN H H 8 7.941 7.941 7.569 0.372 17990
21 1 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.448 -0.300 17990
22 1 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.308 2.612 17990
23 1 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990
24 1 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.140 -0.262 17990
25 1 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.637 5.083 17990
26 1 . 1 1 10 10 LYS H H 10 7.971 7.971 7.609 0.362 17990
27 1 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.554 -0.108 17990
28 1 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.556 -1.466 17990
29 1 . 1 1 11 11 ASP H H 11 8.133 8.133 7.841 0.292 17990
30 1 . 1 1 12 12 MET HA H 12 4.256 4.256 4.420 -0.164 17990
31 1 . 1 1 12 12 MET CA C 12 57.390 57.390 57.408 -0.018 17990
32 1 . 1 1 12 12 MET H H 12 7.980 7.980 7.412 0.568 17990
33 1 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.495 -2.005 17990
34 1 . 1 1 16 16 GLY H H 16 8.375 8.375 8.312 0.063 17990
35 1 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.039 -0.739 17990
36 1 . 1 1 17 17 GLY H H 17 8.046 8.046 8.396 -0.350 17990
37 1 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.250 0.178 17990
38 1 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.120 0.160 17990
39 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.465 -0.315 17990
40 1 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990
41 1 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.221 0.099 17990
42 1 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.667 -0.647 17990
43 1 . 1 1 21 21 ALA H H 21 8.002 8.002 7.955 0.047 17990
44 1 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.774 -0.212 17990
45 1 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.361 1.959 17990
46 1 . 1 1 22 22 GLU H H 22 8.318 8.318 8.318 0.000 17990
stop_
save_