data_19856
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19856
_Entry.PDB_ID 2MMJ
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 19856
_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 3.998 3.998 4.396 -0.398 19856
2 1 1 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.739 2.740 19856
3 1 1 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.355 0.092 19856
4 1 1 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.274 -0.109 19856
5 1 1 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.457 1.144 19856
6 1 1 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.162 -0.193 19856
7 1 1 . 1 1 3 3 PHE H H 3 8.946 8.946 8.475 0.471 19856
8 1 1 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.461 -0.557 19856
9 1 1 . 1 1 4 4 GLY H H 4 8.199 8.199 8.609 -0.410 19856
10 1 1 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.157 -0.372 19856
11 1 1 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.020 2.792 19856
12 1 1 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.214 -0.337 19856
13 1 1 . 1 1 5 5 VAL H H 5 7.715 7.715 7.614 0.101 19856
14 1 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.779 0.194 19856
15 1 1 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.895 -0.396 19856
16 1 1 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.784 0.700 19856
17 1 1 . 1 1 6 6 LEU H H 6 8.016 8.016 7.376 0.640 19856
18 1 1 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.023 -0.130 19856
19 1 1 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.675 0.201 19856
20 1 1 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.113 0.275 19856
21 1 1 . 1 1 7 7 ALA H H 7 8.133 8.133 7.762 0.371 19856
22 1 1 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.987 0.201 19856
23 1 1 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.950 -0.009 19856
24 1 1 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.850 0.189 19856
25 1 1 . 1 1 8 8 LYS H H 8 7.355 7.355 8.043 -0.688 19856
26 1 1 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.533 -0.227 19856
27 1 1 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.430 0.420 19856
28 1 1 . 1 1 9 9 VAL CB C 9 32.635 32.635 32.132 0.503 19856
29 1 1 . 1 1 9 9 VAL H H 9 7.570 7.570 7.556 0.014 19856
30 1 1 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.352 0.376 19856
31 1 1 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.076 0.865 19856
32 1 1 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.488 0.565 19856
33 1 1 . 1 1 13 13 VAL H H 13 8.242 8.242 8.095 0.147 19856
34 1 1 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.809 -0.237 19856
35 1 1 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.990 0.837 19856
36 1 1 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.304 1.090 19856
37 1 1 . 1 1 14 14 VAL H H 14 8.234 8.234 8.296 -0.062 19856
38 1 1 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.422 0.644 19856
39 1 1 . 1 1 15 15 GLY H H 15 8.285 8.285 8.371 -0.086 19856
40 1 1 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.398 -0.107 19856
41 1 1 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.126 1.805 19856
42 1 1 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.457 -0.955 19856
43 1 1 . 1 1 16 16 ALA H H 16 7.830 7.830 7.671 0.159 19856
44 1 1 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.896 -0.151 19856
45 1 1 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.371 -0.015 19856
46 1 1 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.758 0.345 19856
47 1 1 . 1 1 17 17 ILE H H 17 8.045 8.045 8.495 -0.450 19856
48 1 1 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856
49 1 1 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.237 1.178 19856
50 1 1 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.268 0.234 19856
51 1 1 . 1 1 18 18 ALA H H 18 8.467 8.467 7.980 0.487 19856
52 1 1 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.134 -0.150 19856
53 1 1 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.192 0.214 19856
54 1 1 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.057 -0.239 19856
55 1 1 . 1 1 19 19 GLU H H 19 8.007 8.007 8.091 -0.084 19856
56 1 1 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.562 -0.297 19856
57 1 1 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.578 1.812 19856
58 1 1 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.058 -0.499 19856
59 1 1 . 1 1 20 20 HIS H H 20 7.795 7.795 7.821 -0.026 19856
60 1 2 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.295 -0.297 19856
61 1 2 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.234 2.246 19856
62 1 2 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.088 0.359 19856
63 1 2 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.348 -0.183 19856
64 1 2 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.468 1.133 19856
65 1 2 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.205 -0.236 19856
66 1 2 . 1 1 3 3 PHE H H 3 8.946 8.946 8.440 0.506 19856
67 1 2 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.488 -0.585 19856
68 1 2 . 1 1 4 4 GLY H H 4 8.199 8.199 8.672 -0.473 19856
69 1 2 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.144 -0.359 19856
70 1 2 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.129 2.684 19856
71 1 2 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.275 -0.398 19856
72 1 2 . 1 1 5 5 VAL H H 5 7.715 7.715 7.408 0.307 19856
73 1 2 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.813 0.160 19856
74 1 2 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.761 -0.262 19856
75 1 2 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.759 0.725 19856
76 1 2 . 1 1 6 6 LEU H H 6 8.016 8.016 7.356 0.660 19856
77 1 2 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.061 -0.168 19856
78 1 2 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.678 0.198 19856
79 1 2 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.141 0.246 19856
80 1 2 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856
81 1 2 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.994 0.194 19856
82 1 2 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.949 -0.008 19856
83 1 2 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.820 0.219 19856
84 1 2 . 1 1 8 8 LYS H H 8 7.355 7.355 7.973 -0.618 19856
85 1 2 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.577 -0.271 19856
86 1 2 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.373 0.477 19856
87 1 2 . 1 1 9 9 VAL CB C 9 32.635 32.635 32.152 0.483 19856
88 1 2 . 1 1 9 9 VAL H H 9 7.570 7.570 7.490 0.080 19856
89 1 2 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.310 0.418 19856
90 1 2 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.938 1.003 19856
91 1 2 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.986 0.067 19856
92 1 2 . 1 1 13 13 VAL H H 13 8.242 8.242 7.891 0.351 19856
93 1 2 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.764 -0.192 19856
94 1 2 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.007 0.820 19856
95 1 2 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.551 0.843 19856
96 1 2 . 1 1 14 14 VAL H H 14 8.234 8.234 8.309 -0.075 19856
97 1 2 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.703 0.363 19856
98 1 2 . 1 1 15 15 GLY H H 15 8.285 8.285 7.803 0.482 19856
99 1 2 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.273 0.018 19856
100 1 2 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.417 1.514 19856
101 1 2 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.658 -1.156 19856
102 1 2 . 1 1 16 16 ALA H H 16 7.830 7.830 7.677 0.153 19856
103 1 2 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.019 -0.274 19856
104 1 2 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.140 2.216 19856
105 1 2 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.395 1.708 19856
106 1 2 . 1 1 17 17 ILE H H 17 8.045 8.045 8.652 -0.607 19856
107 1 2 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.148 -0.113 19856
108 1 2 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.763 1.652 19856
109 1 2 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.430 0.072 19856
110 1 2 . 1 1 18 18 ALA H H 18 8.467 8.467 8.179 0.288 19856
111 1 2 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.176 -0.193 19856
112 1 2 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.957 0.449 19856
113 1 2 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.001 -0.183 19856
114 1 2 . 1 1 19 19 GLU H H 19 8.007 8.007 8.160 -0.153 19856
115 1 2 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.596 -0.331 19856
116 1 2 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.841 1.549 19856
117 1 2 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.297 -0.737 19856
118 1 2 . 1 1 20 20 HIS H H 20 7.795 7.795 7.855 -0.060 19856
119 1 3 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.192 -0.194 19856
120 1 3 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.018 1.462 19856
121 1 3 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.306 0.141 19856
122 1 3 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.336 -0.171 19856
123 1 3 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.592 1.009 19856
124 1 3 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.128 -0.159 19856
125 1 3 . 1 1 3 3 PHE H H 3 8.946 8.946 8.446 0.500 19856
126 1 3 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.302 -0.399 19856
127 1 3 . 1 1 4 4 GLY H H 4 8.199 8.199 8.517 -0.318 19856
128 1 3 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.115 -0.330 19856
129 1 3 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.222 2.591 19856
130 1 3 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.062 -0.185 19856
131 1 3 . 1 1 5 5 VAL H H 5 7.715 7.715 7.485 0.230 19856
132 1 3 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.819 0.154 19856
133 1 3 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.840 -0.341 19856
134 1 3 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.749 0.735 19856
135 1 3 . 1 1 6 6 LEU H H 6 8.016 8.016 7.402 0.614 19856
136 1 3 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.024 -0.131 19856
137 1 3 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.607 0.269 19856
138 1 3 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.099 0.288 19856
139 1 3 . 1 1 7 7 ALA H H 7 8.133 8.133 7.755 0.378 19856
140 1 3 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.000 0.188 19856
141 1 3 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.174 -0.233 19856
142 1 3 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.937 0.102 19856
143 1 3 . 1 1 8 8 LYS H H 8 7.355 7.355 7.912 -0.557 19856
144 1 3 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.585 -0.279 19856
145 1 3 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.963 0.887 19856
146 1 3 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.221 1.414 19856
147 1 3 . 1 1 9 9 VAL H H 9 7.570 7.570 7.518 0.052 19856
148 1 3 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.323 0.405 19856
149 1 3 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.163 0.778 19856
150 1 3 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.697 0.356 19856
151 1 3 . 1 1 13 13 VAL H H 13 8.242 8.242 8.053 0.189 19856
152 1 3 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.777 -0.205 19856
153 1 3 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.250 0.577 19856
154 1 3 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.348 1.046 19856
155 1 3 . 1 1 14 14 VAL H H 14 8.234 8.234 8.296 -0.062 19856
156 1 3 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.647 0.419 19856
157 1 3 . 1 1 15 15 GLY H H 15 8.285 8.285 8.513 -0.228 19856
158 1 3 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.197 0.094 19856
159 1 3 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.557 1.374 19856
160 1 3 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.565 -1.063 19856
161 1 3 . 1 1 16 16 ALA H H 16 7.830 7.830 7.524 0.306 19856
162 1 3 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.898 -0.153 19856
163 1 3 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.368 -0.012 19856
164 1 3 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.791 0.312 19856
165 1 3 . 1 1 17 17 ILE H H 17 8.045 8.045 8.562 -0.517 19856
166 1 3 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.175 -0.140 19856
167 1 3 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.258 1.157 19856
168 1 3 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.326 0.176 19856
169 1 3 . 1 1 18 18 ALA H H 18 8.467 8.467 8.257 0.210 19856
170 1 3 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.173 -0.189 19856
171 1 3 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.873 0.533 19856
172 1 3 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.886 -0.067 19856
173 1 3 . 1 1 19 19 GLU H H 19 8.007 8.007 8.135 -0.128 19856
174 1 3 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.587 -0.322 19856
175 1 3 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.609 1.781 19856
176 1 3 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.096 -0.536 19856
177 1 3 . 1 1 20 20 HIS H H 20 7.795 7.795 7.828 -0.033 19856
178 1 4 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.135 -0.137 19856
179 1 4 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.057 1.423 19856
180 1 4 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.311 0.136 19856
181 1 4 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.383 -0.218 19856
182 1 4 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.302 1.299 19856
183 1 4 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.160 -0.191 19856
184 1 4 . 1 1 3 3 PHE H H 3 8.946 8.946 8.416 0.530 19856
185 1 4 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.237 -0.334 19856
186 1 4 . 1 1 4 4 GLY H H 4 8.199 8.199 8.662 -0.463 19856
187 1 4 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.037 -0.252 19856
188 1 4 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.602 2.211 19856
189 1 4 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.381 -0.504 19856
190 1 4 . 1 1 5 5 VAL H H 5 7.715 7.715 7.334 0.381 19856
191 1 4 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.803 0.170 19856
192 1 4 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.620 -0.121 19856
193 1 4 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.864 0.620 19856
194 1 4 . 1 1 6 6 LEU H H 6 8.016 8.016 7.365 0.651 19856
195 1 4 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.036 -0.143 19856
196 1 4 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.600 0.276 19856
197 1 4 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.136 0.251 19856
198 1 4 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856
199 1 4 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.980 0.208 19856
200 1 4 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.198 -0.257 19856
201 1 4 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.875 0.164 19856
202 1 4 . 1 1 8 8 LYS H H 8 7.355 7.355 7.908 -0.553 19856
203 1 4 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.558 -0.252 19856
204 1 4 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.876 0.974 19856
205 1 4 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.985 0.650 19856
206 1 4 . 1 1 9 9 VAL H H 9 7.570 7.570 7.444 0.126 19856
207 1 4 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.335 0.393 19856
208 1 4 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.070 1.871 19856
209 1 4 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.045 1.008 19856
210 1 4 . 1 1 13 13 VAL H H 13 8.242 8.242 8.070 0.172 19856
211 1 4 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.796 -0.224 19856
212 1 4 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.991 0.836 19856
213 1 4 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.418 0.976 19856
214 1 4 . 1 1 14 14 VAL H H 14 8.234 8.234 8.152 0.082 19856
215 1 4 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.783 0.283 19856
216 1 4 . 1 1 15 15 GLY H H 15 8.285 8.285 8.521 -0.236 19856
217 1 4 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.240 0.051 19856
218 1 4 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.333 1.598 19856
219 1 4 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.621 -1.119 19856
220 1 4 . 1 1 16 16 ALA H H 16 7.830 7.830 7.538 0.292 19856
221 1 4 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.901 -0.156 19856
222 1 4 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.370 -0.014 19856
223 1 4 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.789 0.313 19856
224 1 4 . 1 1 17 17 ILE H H 17 8.045 8.045 8.570 -0.525 19856
225 1 4 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.174 -0.139 19856
226 1 4 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.162 1.253 19856
227 1 4 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.256 0.246 19856
228 1 4 . 1 1 18 18 ALA H H 18 8.467 8.467 8.238 0.229 19856
229 1 4 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.127 -0.143 19856
230 1 4 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.130 0.276 19856
231 1 4 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.077 -0.259 19856
232 1 4 . 1 1 19 19 GLU H H 19 8.007 8.007 8.119 -0.112 19856
233 1 4 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.565 -0.300 19856
234 1 4 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.658 1.732 19856
235 1 4 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.163 -0.603 19856
236 1 4 . 1 1 20 20 HIS H H 20 7.795 7.795 7.822 -0.027 19856
237 1 5 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.482 -0.484 19856
238 1 5 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.102 2.378 19856
239 1 5 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.343 0.104 19856
240 1 5 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.288 -0.123 19856
241 1 5 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.524 1.077 19856
242 1 5 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.242 -0.273 19856
243 1 5 . 1 1 3 3 PHE H H 3 8.946 8.946 8.471 0.475 19856
244 1 5 . 1 1 4 4 GLY CA C 4 46.903 46.903 46.811 0.092 19856
245 1 5 . 1 1 4 4 GLY H H 4 8.199 8.199 8.428 -0.229 19856
246 1 5 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.050 -0.265 19856
247 1 5 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.182 2.631 19856
248 1 5 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.351 -0.474 19856
249 1 5 . 1 1 5 5 VAL H H 5 7.715 7.715 7.446 0.269 19856
250 1 5 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.814 0.159 19856
251 1 5 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.664 -0.165 19856
252 1 5 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.956 0.528 19856
253 1 5 . 1 1 6 6 LEU H H 6 8.016 8.016 7.367 0.649 19856
254 1 5 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.021 -0.128 19856
255 1 5 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.585 0.291 19856
256 1 5 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.114 0.273 19856
257 1 5 . 1 1 7 7 ALA H H 7 8.133 8.133 7.767 0.366 19856
258 1 5 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.976 0.212 19856
259 1 5 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.192 -0.251 19856
260 1 5 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.865 0.174 19856
261 1 5 . 1 1 8 8 LYS H H 8 7.355 7.355 7.905 -0.550 19856
262 1 5 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.557 -0.251 19856
263 1 5 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.885 0.965 19856
264 1 5 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.989 0.646 19856
265 1 5 . 1 1 9 9 VAL H H 9 7.570 7.570 7.443 0.127 19856
266 1 5 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.256 0.472 19856
267 1 5 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.245 0.697 19856
268 1 5 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.951 0.103 19856
269 1 5 . 1 1 13 13 VAL H H 13 8.242 8.242 7.975 0.267 19856
270 1 5 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.721 -0.149 19856
271 1 5 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.167 0.660 19856
272 1 5 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.899 0.494 19856
273 1 5 . 1 1 14 14 VAL H H 14 8.234 8.234 8.086 0.148 19856
274 1 5 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.731 0.335 19856
275 1 5 . 1 1 15 15 GLY H H 15 8.285 8.285 8.474 -0.189 19856
276 1 5 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.196 0.095 19856
277 1 5 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.568 1.363 19856
278 1 5 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.560 -1.058 19856
279 1 5 . 1 1 16 16 ALA H H 16 7.830 7.830 7.525 0.305 19856
280 1 5 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.901 -0.156 19856
281 1 5 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.377 -0.021 19856
282 1 5 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.794 0.309 19856
283 1 5 . 1 1 17 17 ILE H H 17 8.045 8.045 8.572 -0.527 19856
284 1 5 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.169 -0.134 19856
285 1 5 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.230 1.185 19856
286 1 5 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.282 0.220 19856
287 1 5 . 1 1 18 18 ALA H H 18 8.467 8.467 8.233 0.234 19856
288 1 5 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.139 -0.155 19856
289 1 5 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.170 0.236 19856
290 1 5 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.071 -0.253 19856
291 1 5 . 1 1 19 19 GLU H H 19 8.007 8.007 8.099 -0.092 19856
292 1 5 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.573 -0.308 19856
293 1 5 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.650 1.740 19856
294 1 5 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.161 -0.601 19856
295 1 5 . 1 1 20 20 HIS H H 20 7.795 7.795 7.839 -0.044 19856
296 1 6 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.283 -0.285 19856
297 1 6 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.099 1.381 19856
298 1 6 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.052 0.395 19856
299 1 6 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.402 -0.237 19856
300 1 6 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.246 1.355 19856
301 1 6 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.042 -0.073 19856
302 1 6 . 1 1 3 3 PHE H H 3 8.946 8.946 8.319 0.627 19856
303 1 6 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.315 -0.412 19856
304 1 6 . 1 1 4 4 GLY H H 4 8.199 8.199 8.564 -0.365 19856
305 1 6 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.101 -0.316 19856
306 1 6 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.346 2.467 19856
307 1 6 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.141 -0.263 19856
308 1 6 . 1 1 5 5 VAL H H 5 7.715 7.715 7.444 0.271 19856
309 1 6 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.812 0.161 19856
310 1 6 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.893 -0.394 19856
311 1 6 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.781 0.703 19856
312 1 6 . 1 1 6 6 LEU H H 6 8.016 8.016 7.454 0.562 19856
313 1 6 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.022 -0.129 19856
314 1 6 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.697 0.179 19856
315 1 6 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.051 0.336 19856
316 1 6 . 1 1 7 7 ALA H H 7 8.133 8.133 7.798 0.335 19856
317 1 6 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.001 0.187 19856
318 1 6 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.285 -0.344 19856
319 1 6 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.932 0.107 19856
320 1 6 . 1 1 8 8 LYS H H 8 7.355 7.355 8.015 -0.660 19856
321 1 6 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.569 -0.263 19856
322 1 6 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.941 0.909 19856
323 1 6 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.125 1.510 19856
324 1 6 . 1 1 9 9 VAL H H 9 7.570 7.570 7.593 -0.023 19856
325 1 6 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.319 0.409 19856
326 1 6 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.895 1.046 19856
327 1 6 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.471 0.582 19856
328 1 6 . 1 1 13 13 VAL H H 13 8.242 8.242 8.025 0.217 19856
329 1 6 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.823 -0.251 19856
330 1 6 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.652 1.175 19856
331 1 6 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.704 0.690 19856
332 1 6 . 1 1 14 14 VAL H H 14 8.234 8.234 8.169 0.065 19856
333 1 6 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.543 0.523 19856
334 1 6 . 1 1 15 15 GLY H H 15 8.285 8.285 8.309 -0.024 19856
335 1 6 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.467 -0.176 19856
336 1 6 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.352 1.579 19856
337 1 6 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.537 -1.035 19856
338 1 6 . 1 1 16 16 ALA H H 16 7.830 7.830 7.744 0.086 19856
339 1 6 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.044 -0.299 19856
340 1 6 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.502 1.854 19856
341 1 6 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.509 1.594 19856
342 1 6 . 1 1 17 17 ILE H H 17 8.045 8.045 8.664 -0.619 19856
343 1 6 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.123 -0.088 19856
344 1 6 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.805 1.610 19856
345 1 6 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.445 0.057 19856
346 1 6 . 1 1 18 18 ALA H H 18 8.467 8.467 7.739 0.728 19856
347 1 6 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.155 -0.171 19856
348 1 6 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.032 0.374 19856
349 1 6 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.117 -0.299 19856
350 1 6 . 1 1 19 19 GLU H H 19 8.007 8.007 8.122 -0.115 19856
351 1 6 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.511 -0.246 19856
352 1 6 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.795 1.595 19856
353 1 6 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.189 -0.629 19856
354 1 6 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856
355 1 7 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.556 -0.558 19856
356 1 7 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.485 2.995 19856
357 1 7 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.487 -0.040 19856
358 1 7 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.330 -0.165 19856
359 1 7 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.440 1.161 19856
360 1 7 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.242 -0.273 19856
361 1 7 . 1 1 3 3 PHE H H 3 8.946 8.946 8.489 0.457 19856
362 1 7 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.216 -0.313 19856
363 1 7 . 1 1 4 4 GLY H H 4 8.199 8.199 8.618 -0.419 19856
364 1 7 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.084 -0.299 19856
365 1 7 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.528 2.285 19856
366 1 7 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.170 -0.293 19856
367 1 7 . 1 1 5 5 VAL H H 5 7.715 7.715 7.466 0.249 19856
368 1 7 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.814 0.159 19856
369 1 7 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.902 -0.403 19856
370 1 7 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.838 0.646 19856
371 1 7 . 1 1 6 6 LEU H H 6 8.016 8.016 7.463 0.553 19856
372 1 7 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.015 -0.122 19856
373 1 7 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.696 0.180 19856
374 1 7 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.043 0.344 19856
375 1 7 . 1 1 7 7 ALA H H 7 8.133 8.133 7.789 0.344 19856
376 1 7 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.983 0.205 19856
377 1 7 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.286 -0.345 19856
378 1 7 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.936 0.103 19856
379 1 7 . 1 1 8 8 LYS H H 8 7.355 7.355 8.029 -0.674 19856
380 1 7 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.544 -0.238 19856
381 1 7 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.738 1.112 19856
382 1 7 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.873 0.762 19856
383 1 7 . 1 1 9 9 VAL H H 9 7.570 7.570 7.533 0.037 19856
384 1 7 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.308 0.420 19856
385 1 7 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.121 0.820 19856
386 1 7 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.436 0.618 19856
387 1 7 . 1 1 13 13 VAL H H 13 8.242 8.242 8.127 0.115 19856
388 1 7 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.777 -0.205 19856
389 1 7 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.685 1.142 19856
390 1 7 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.017 0.377 19856
391 1 7 . 1 1 14 14 VAL H H 14 8.234 8.234 8.219 0.015 19856
392 1 7 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.516 0.551 19856
393 1 7 . 1 1 15 15 GLY H H 15 8.285 8.285 8.251 0.034 19856
394 1 7 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.468 -0.177 19856
395 1 7 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.350 1.581 19856
396 1 7 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.537 -1.035 19856
397 1 7 . 1 1 16 16 ALA H H 16 7.830 7.830 7.747 0.083 19856
398 1 7 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.042 -0.297 19856
399 1 7 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.511 1.845 19856
400 1 7 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.511 1.592 19856
401 1 7 . 1 1 17 17 ILE H H 17 8.045 8.045 8.665 -0.620 19856
402 1 7 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.120 -0.085 19856
403 1 7 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.828 1.587 19856
404 1 7 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.455 0.047 19856
405 1 7 . 1 1 18 18 ALA H H 18 8.467 8.467 7.737 0.730 19856
406 1 7 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.159 -0.175 19856
407 1 7 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.011 0.395 19856
408 1 7 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.107 -0.289 19856
409 1 7 . 1 1 19 19 GLU H H 19 8.007 8.007 8.115 -0.108 19856
410 1 7 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.512 -0.247 19856
411 1 7 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.786 1.603 19856
412 1 7 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.183 -0.623 19856
413 1 7 . 1 1 20 20 HIS H H 20 7.795 7.795 7.853 -0.058 19856
414 1 8 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.581 -0.583 19856
415 1 8 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.786 2.694 19856
416 1 8 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.398 0.049 19856
417 1 8 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.309 -0.144 19856
418 1 8 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.505 1.096 19856
419 1 8 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.263 -0.294 19856
420 1 8 . 1 1 3 3 PHE H H 3 8.946 8.946 8.464 0.482 19856
421 1 8 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.230 -0.327 19856
422 1 8 . 1 1 4 4 GLY H H 4 8.199 8.199 8.693 -0.494 19856
423 1 8 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.052 -0.267 19856
424 1 8 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.623 2.190 19856
425 1 8 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.371 -0.494 19856
426 1 8 . 1 1 5 5 VAL H H 5 7.715 7.715 7.449 0.266 19856
427 1 8 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.809 0.164 19856
428 1 8 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.725 -0.226 19856
429 1 8 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.922 0.562 19856
430 1 8 . 1 1 6 6 LEU H H 6 8.016 8.016 7.395 0.621 19856
431 1 8 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.018 -0.125 19856
432 1 8 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.748 0.128 19856
433 1 8 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.016 0.371 19856
434 1 8 . 1 1 7 7 ALA H H 7 8.133 8.133 7.807 0.326 19856
435 1 8 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.993 0.195 19856
436 1 8 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.173 -0.232 19856
437 1 8 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.864 0.175 19856
438 1 8 . 1 1 8 8 LYS H H 8 7.355 7.355 7.989 -0.634 19856
439 1 8 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.526 -0.220 19856
440 1 8 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.386 0.464 19856
441 1 8 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.991 0.644 19856
442 1 8 . 1 1 9 9 VAL H H 9 7.570 7.570 7.531 0.039 19856
443 1 8 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.312 0.416 19856
444 1 8 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.013 0.928 19856
445 1 8 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.509 0.544 19856
446 1 8 . 1 1 13 13 VAL H H 13 8.242 8.242 7.990 0.252 19856
447 1 8 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.832 -0.260 19856
448 1 8 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.502 1.325 19856
449 1 8 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.601 0.793 19856
450 1 8 . 1 1 14 14 VAL H H 14 8.234 8.234 8.160 0.074 19856
451 1 8 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.363 0.703 19856
452 1 8 . 1 1 15 15 GLY H H 15 8.285 8.285 8.323 -0.038 19856
453 1 8 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.410 -0.119 19856
454 1 8 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.943 1.988 19856
455 1 8 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.770 -1.268 19856
456 1 8 . 1 1 16 16 ALA H H 16 7.830 7.830 7.714 0.116 19856
457 1 8 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.946 -0.201 19856
458 1 8 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.451 -0.095 19856
459 1 8 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.785 0.319 19856
460 1 8 . 1 1 17 17 ILE H H 17 8.045 8.045 8.620 -0.575 19856
461 1 8 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.090 -0.055 19856
462 1 8 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.946 1.469 19856
463 1 8 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.343 0.160 19856
464 1 8 . 1 1 18 18 ALA H H 18 8.467 8.467 7.773 0.694 19856
465 1 8 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.118 -0.134 19856
466 1 8 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.241 0.165 19856
467 1 8 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.014 -0.196 19856
468 1 8 . 1 1 19 19 GLU H H 19 8.007 8.007 8.170 -0.163 19856
469 1 8 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.515 -0.250 19856
470 1 8 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.660 1.730 19856
471 1 8 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.139 -0.579 19856
472 1 8 . 1 1 20 20 HIS H H 20 7.795 7.795 7.848 -0.053 19856
473 1 9 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.410 -0.412 19856
474 1 9 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.830 2.650 19856
475 1 9 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.423 0.023 19856
476 1 9 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.303 -0.138 19856
477 1 9 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.457 1.144 19856
478 1 9 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.225 -0.256 19856
479 1 9 . 1 1 3 3 PHE H H 3 8.946 8.946 8.489 0.457 19856
480 1 9 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.468 -0.565 19856
481 1 9 . 1 1 4 4 GLY H H 4 8.199 8.199 8.647 -0.448 19856
482 1 9 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.138 -0.353 19856
483 1 9 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.300 2.513 19856
484 1 9 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.289 -0.412 19856
485 1 9 . 1 1 5 5 VAL H H 5 7.715 7.715 7.487 0.228 19856
486 1 9 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.784 0.189 19856
487 1 9 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.806 -0.307 19856
488 1 9 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.762 0.722 19856
489 1 9 . 1 1 6 6 LEU H H 6 8.016 8.016 7.367 0.649 19856
490 1 9 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.013 -0.120 19856
491 1 9 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.814 0.062 19856
492 1 9 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.033 0.354 19856
493 1 9 . 1 1 7 7 ALA H H 7 8.133 8.133 7.785 0.348 19856
494 1 9 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.010 0.178 19856
495 1 9 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.057 -0.116 19856
496 1 9 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.833 0.206 19856
497 1 9 . 1 1 8 8 LYS H H 8 7.355 7.355 8.018 -0.663 19856
498 1 9 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.555 -0.249 19856
499 1 9 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.856 0.994 19856
500 1 9 . 1 1 9 9 VAL CB C 9 32.635 32.635 30.994 1.641 19856
501 1 9 . 1 1 9 9 VAL H H 9 7.570 7.570 7.570 0.000 19856
502 1 9 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.306 0.422 19856
503 1 9 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.743 1.198 19856
504 1 9 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.382 0.671 19856
505 1 9 . 1 1 13 13 VAL H H 13 8.242 8.242 7.994 0.248 19856
506 1 9 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.828 -0.256 19856
507 1 9 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.480 1.347 19856
508 1 9 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.597 0.797 19856
509 1 9 . 1 1 14 14 VAL H H 14 8.234 8.234 8.159 0.075 19856
510 1 9 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.346 0.720 19856
511 1 9 . 1 1 15 15 GLY H H 15 8.285 8.285 8.314 -0.029 19856
512 1 9 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.420 -0.129 19856
513 1 9 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.142 1.789 19856
514 1 9 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.477 -0.975 19856
515 1 9 . 1 1 16 16 ALA H H 16 7.830 7.830 7.718 0.112 19856
516 1 9 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.891 -0.146 19856
517 1 9 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.398 -0.042 19856
518 1 9 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.721 0.382 19856
519 1 9 . 1 1 17 17 ILE H H 17 8.045 8.045 8.539 -0.494 19856
520 1 9 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.148 -0.113 19856
521 1 9 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.281 1.134 19856
522 1 9 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.270 0.232 19856
523 1 9 . 1 1 18 18 ALA H H 18 8.467 8.467 7.726 0.741 19856
524 1 9 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.138 -0.154 19856
525 1 9 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.163 0.242 19856
526 1 9 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.046 -0.228 19856
527 1 9 . 1 1 19 19 GLU H H 19 8.007 8.007 8.086 -0.079 19856
528 1 9 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.558 -0.293 19856
529 1 9 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.608 1.782 19856
530 1 9 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.047 -0.487 19856
531 1 9 . 1 1 20 20 HIS H H 20 7.795 7.795 7.835 -0.040 19856
532 1 10 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.435 -0.437 19856
533 1 10 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.956 2.525 19856
534 1 10 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.229 0.218 19856
535 1 10 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.304 -0.139 19856
536 1 10 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.516 1.085 19856
537 1 10 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.204 -0.235 19856
538 1 10 . 1 1 3 3 PHE H H 3 8.946 8.946 8.485 0.461 19856
539 1 10 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.293 -0.390 19856
540 1 10 . 1 1 4 4 GLY H H 4 8.199 8.199 8.573 -0.374 19856
541 1 10 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.158 -0.373 19856
542 1 10 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.154 2.659 19856
543 1 10 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.036 -0.159 19856
544 1 10 . 1 1 5 5 VAL H H 5 7.715 7.715 7.600 0.115 19856
545 1 10 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.816 0.157 19856
546 1 10 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.946 -0.447 19856
547 1 10 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.750 0.734 19856
548 1 10 . 1 1 6 6 LEU H H 6 8.016 8.016 7.454 0.562 19856
549 1 10 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.014 -0.121 19856
550 1 10 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.580 0.296 19856
551 1 10 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.245 0.141 19856
552 1 10 . 1 1 7 7 ALA H H 7 8.133 8.133 7.756 0.377 19856
553 1 10 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.343 -0.155 19856
554 1 10 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.141 -0.199 19856
555 1 10 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.061 -0.022 19856
556 1 10 . 1 1 8 8 LYS H H 8 7.355 7.355 8.100 -0.745 19856
557 1 10 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.373 -0.067 19856
558 1 10 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.650 1.200 19856
559 1 10 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.866 0.769 19856
560 1 10 . 1 1 9 9 VAL H H 9 7.570 7.570 7.599 -0.029 19856
561 1 10 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.785 -0.057 19856
562 1 10 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.613 0.328 19856
563 1 10 . 1 1 13 13 VAL CB C 13 32.053 32.053 32.019 0.034 19856
564 1 10 . 1 1 13 13 VAL H H 13 8.242 8.242 8.125 0.117 19856
565 1 10 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.785 -0.213 19856
566 1 10 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.335 0.492 19856
567 1 10 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.962 0.432 19856
568 1 10 . 1 1 14 14 VAL H H 14 8.234 8.234 8.143 0.091 19856
569 1 10 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.774 0.292 19856
570 1 10 . 1 1 15 15 GLY H H 15 8.285 8.285 8.518 -0.233 19856
571 1 10 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.386 -0.095 19856
572 1 10 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.083 1.848 19856
573 1 10 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.842 -1.340 19856
574 1 10 . 1 1 16 16 ALA H H 16 7.830 7.830 7.755 0.075 19856
575 1 10 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.983 -0.238 19856
576 1 10 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.479 -0.123 19856
577 1 10 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.895 0.208 19856
578 1 10 . 1 1 17 17 ILE H H 17 8.045 8.045 8.639 -0.594 19856
579 1 10 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.143 -0.108 19856
580 1 10 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.809 1.606 19856
581 1 10 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.404 0.098 19856
582 1 10 . 1 1 18 18 ALA H H 18 8.467 8.467 8.255 0.212 19856
583 1 10 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.144 -0.160 19856
584 1 10 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.025 0.381 19856
585 1 10 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.089 -0.271 19856
586 1 10 . 1 1 19 19 GLU H H 19 8.007 8.007 8.191 -0.184 19856
587 1 10 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.527 -0.262 19856
588 1 10 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.789 1.601 19856
589 1 10 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.269 -0.709 19856
590 1 10 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856
591 1 11 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.170 -0.172 19856
592 1 11 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.828 1.653 19856
593 1 11 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.391 0.056 19856
594 1 11 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.276 -0.111 19856
595 1 11 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.617 0.984 19856
596 1 11 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.069 -0.099 19856
597 1 11 . 1 1 3 3 PHE H H 3 8.946 8.946 8.450 0.496 19856
598 1 11 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.154 -0.251 19856
599 1 11 . 1 1 4 4 GLY H H 4 8.199 8.199 8.532 -0.333 19856
600 1 11 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.061 -0.276 19856
601 1 11 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.381 2.432 19856
602 1 11 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.302 -0.425 19856
603 1 11 . 1 1 5 5 VAL H H 5 7.715 7.715 7.685 0.030 19856
604 1 11 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.820 0.153 19856
605 1 11 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.766 -0.267 19856
606 1 11 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.898 0.586 19856
607 1 11 . 1 1 6 6 LEU H H 6 8.016 8.016 7.428 0.588 19856
608 1 11 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.029 -0.136 19856
609 1 11 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.519 0.357 19856
610 1 11 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.262 0.125 19856
611 1 11 . 1 1 7 7 ALA H H 7 8.133 8.133 7.789 0.344 19856
612 1 11 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.330 -0.142 19856
613 1 11 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.297 -0.356 19856
614 1 11 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.061 -0.022 19856
615 1 11 . 1 1 8 8 LYS H H 8 7.355 7.355 8.056 -0.701 19856
616 1 11 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.380 -0.074 19856
617 1 11 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.123 0.727 19856
618 1 11 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.743 0.892 19856
619 1 11 . 1 1 9 9 VAL H H 9 7.570 7.570 7.627 -0.057 19856
620 1 11 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.835 -0.107 19856
621 1 11 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.128 1.813 19856
622 1 11 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.512 0.541 19856
623 1 11 . 1 1 13 13 VAL H H 13 8.242 8.242 8.124 0.118 19856
624 1 11 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.813 -0.241 19856
625 1 11 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.485 0.342 19856
626 1 11 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.698 0.696 19856
627 1 11 . 1 1 14 14 VAL H H 14 8.234 8.234 8.359 -0.125 19856
628 1 11 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856
629 1 11 . 1 1 15 15 GLY H H 15 8.285 8.285 8.448 -0.163 19856
630 1 11 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.311 -0.020 19856
631 1 11 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.421 1.510 19856
632 1 11 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.765 -1.263 19856
633 1 11 . 1 1 16 16 ALA H H 16 7.830 7.830 7.771 0.059 19856
634 1 11 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.060 -0.315 19856
635 1 11 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.090 2.266 19856
636 1 11 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.400 1.703 19856
637 1 11 . 1 1 17 17 ILE H H 17 8.045 8.045 8.673 -0.628 19856
638 1 11 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.172 -0.137 19856
639 1 11 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.721 1.694 19856
640 1 11 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.424 0.078 19856
641 1 11 . 1 1 18 18 ALA H H 18 8.467 8.467 8.198 0.269 19856
642 1 11 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.150 -0.166 19856
643 1 11 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.964 0.442 19856
644 1 11 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.125 -0.306 19856
645 1 11 . 1 1 19 19 GLU H H 19 8.007 8.007 8.179 -0.172 19856
646 1 11 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.584 -0.319 19856
647 1 11 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.851 1.539 19856
648 1 11 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.336 -0.776 19856
649 1 11 . 1 1 20 20 HIS H H 20 7.795 7.795 7.865 -0.070 19856
650 1 12 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.300 -0.302 19856
651 1 12 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.543 1.937 19856
652 1 12 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.070 0.377 19856
653 1 12 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.280 -0.115 19856
654 1 12 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.611 0.990 19856
655 1 12 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.188 -0.219 19856
656 1 12 . 1 1 3 3 PHE H H 3 8.946 8.946 8.443 0.503 19856
657 1 12 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.214 -0.311 19856
658 1 12 . 1 1 4 4 GLY H H 4 8.199 8.199 8.573 -0.374 19856
659 1 12 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.072 -0.287 19856
660 1 12 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.521 2.292 19856
661 1 12 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.348 -0.471 19856
662 1 12 . 1 1 5 5 VAL H H 5 7.715 7.715 7.541 0.174 19856
663 1 12 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.812 0.161 19856
664 1 12 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.752 -0.253 19856
665 1 12 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.924 0.560 19856
666 1 12 . 1 1 6 6 LEU H H 6 8.016 8.016 7.414 0.602 19856
667 1 12 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.020 -0.127 19856
668 1 12 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.579 0.297 19856
669 1 12 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.252 0.135 19856
670 1 12 . 1 1 7 7 ALA H H 7 8.133 8.133 7.763 0.370 19856
671 1 12 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.342 -0.154 19856
672 1 12 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.153 -0.212 19856
673 1 12 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.071 -0.032 19856
674 1 12 . 1 1 8 8 LYS H H 8 7.355 7.355 8.098 -0.743 19856
675 1 12 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.371 -0.065 19856
676 1 12 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.657 1.193 19856
677 1 12 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.867 0.768 19856
678 1 12 . 1 1 9 9 VAL H H 9 7.570 7.570 7.597 -0.027 19856
679 1 12 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.859 -0.131 19856
680 1 12 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.846 2.095 19856
681 1 12 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.310 0.743 19856
682 1 12 . 1 1 13 13 VAL H H 13 8.242 8.242 8.150 0.092 19856
683 1 12 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.843 -0.271 19856
684 1 12 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.469 0.358 19856
685 1 12 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.382 1.012 19856
686 1 12 . 1 1 14 14 VAL H H 14 8.234 8.234 8.361 -0.127 19856
687 1 12 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856
688 1 12 . 1 1 15 15 GLY H H 15 8.285 8.285 8.574 -0.289 19856
689 1 12 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.462 -0.171 19856
690 1 12 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.986 1.945 19856
691 1 12 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.823 -1.321 19856
692 1 12 . 1 1 16 16 ALA H H 16 7.830 7.830 7.749 0.081 19856
693 1 12 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.945 -0.200 19856
694 1 12 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.468 -0.112 19856
695 1 12 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.876 0.227 19856
696 1 12 . 1 1 17 17 ILE H H 17 8.045 8.045 8.637 -0.592 19856
697 1 12 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.166 -0.131 19856
698 1 12 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.818 1.597 19856
699 1 12 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.423 0.079 19856
700 1 12 . 1 1 18 18 ALA H H 18 8.467 8.467 8.257 0.210 19856
701 1 12 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.143 -0.159 19856
702 1 12 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.045 0.361 19856
703 1 12 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.087 -0.269 19856
704 1 12 . 1 1 19 19 GLU H H 19 8.007 8.007 8.190 -0.183 19856
705 1 12 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.589 -0.324 19856
706 1 12 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.839 1.551 19856
707 1 12 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.348 -0.788 19856
708 1 12 . 1 1 20 20 HIS H H 20 7.795 7.795 7.864 -0.069 19856
709 1 13 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.250 -0.252 19856
710 1 13 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.703 1.777 19856
711 1 13 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.403 0.044 19856
712 1 13 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.295 -0.130 19856
713 1 13 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.343 1.258 19856
714 1 13 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.151 -0.182 19856
715 1 13 . 1 1 3 3 PHE H H 3 8.946 8.946 8.435 0.511 19856
716 1 13 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.232 -0.329 19856
717 1 13 . 1 1 4 4 GLY H H 4 8.199 8.199 8.490 -0.291 19856
718 1 13 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.109 -0.324 19856
719 1 13 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.616 2.197 19856
720 1 13 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.147 -0.270 19856
721 1 13 . 1 1 5 5 VAL H H 5 7.715 7.715 7.648 0.067 19856
722 1 13 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.798 0.175 19856
723 1 13 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.856 -0.357 19856
724 1 13 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.681 0.803 19856
725 1 13 . 1 1 6 6 LEU H H 6 8.016 8.016 7.444 0.572 19856
726 1 13 . 1 1 7 7 ALA HA H 7 3.893 3.893 3.997 -0.104 19856
727 1 13 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.574 0.302 19856
728 1 13 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.251 0.136 19856
729 1 13 . 1 1 7 7 ALA H H 7 8.133 8.133 7.729 0.404 19856
730 1 13 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.335 -0.147 19856
731 1 13 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.136 -0.195 19856
732 1 13 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.956 0.083 19856
733 1 13 . 1 1 8 8 LYS H H 8 7.355 7.355 8.076 -0.721 19856
734 1 13 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.373 -0.067 19856
735 1 13 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.110 0.740 19856
736 1 13 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.428 1.207 19856
737 1 13 . 1 1 9 9 VAL H H 9 7.570 7.570 7.631 -0.061 19856
738 1 13 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.793 -0.065 19856
739 1 13 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.596 0.345 19856
740 1 13 . 1 1 13 13 VAL CB C 13 32.053 32.053 32.022 0.031 19856
741 1 13 . 1 1 13 13 VAL H H 13 8.242 8.242 8.049 0.193 19856
742 1 13 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.809 -0.237 19856
743 1 13 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.329 0.498 19856
744 1 13 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.545 0.849 19856
745 1 13 . 1 1 14 14 VAL H H 14 8.234 8.234 8.299 -0.065 19856
746 1 13 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.651 0.415 19856
747 1 13 . 1 1 15 15 GLY H H 15 8.285 8.285 8.556 -0.271 19856
748 1 13 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.282 0.009 19856
749 1 13 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.431 1.500 19856
750 1 13 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.680 -1.179 19856
751 1 13 . 1 1 16 16 ALA H H 16 7.830 7.830 7.691 0.139 19856
752 1 13 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.957 -0.212 19856
753 1 13 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.409 -0.053 19856
754 1 13 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.907 0.196 19856
755 1 13 . 1 1 17 17 ILE H H 17 8.045 8.045 8.532 -0.487 19856
756 1 13 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.300 -0.265 19856
757 1 13 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.046 1.369 19856
758 1 13 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.361 0.141 19856
759 1 13 . 1 1 18 18 ALA H H 18 8.467 8.467 8.289 0.178 19856
760 1 13 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.194 -0.210 19856
761 1 13 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.099 0.307 19856
762 1 13 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.096 -0.278 19856
763 1 13 . 1 1 19 19 GLU H H 19 8.007 8.007 8.226 -0.219 19856
764 1 13 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.558 -0.293 19856
765 1 13 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.404 1.986 19856
766 1 13 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.194 -0.634 19856
767 1 13 . 1 1 20 20 HIS H H 20 7.795 7.795 7.896 -0.101 19856
768 1 14 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.711 -0.713 19856
769 1 14 . 1 1 2 2 LEU CA C 2 58.480 58.480 54.966 3.514 19856
770 1 14 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.225 0.222 19856
771 1 14 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.478 -0.313 19856
772 1 14 . 1 1 3 3 PHE CA C 3 61.601 61.601 59.999 1.602 19856
773 1 14 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.339 -0.370 19856
774 1 14 . 1 1 3 3 PHE H H 3 8.946 8.946 8.365 0.581 19856
775 1 14 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.652 -0.749 19856
776 1 14 . 1 1 4 4 GLY H H 4 8.199 8.199 8.726 -0.527 19856
777 1 14 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.135 -0.350 19856
778 1 14 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.568 3.245 19856
779 1 14 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.132 -0.255 19856
780 1 14 . 1 1 5 5 VAL H H 5 7.715 7.715 7.353 0.362 19856
781 1 14 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.789 0.184 19856
782 1 14 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.722 -0.223 19856
783 1 14 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.781 0.703 19856
784 1 14 . 1 1 6 6 LEU H H 6 8.016 8.016 7.418 0.598 19856
785 1 14 . 1 1 7 7 ALA HA H 7 3.893 3.893 3.980 -0.087 19856
786 1 14 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.741 0.135 19856
787 1 14 . 1 1 7 7 ALA CB C 7 18.387 18.387 17.998 0.389 19856
788 1 14 . 1 1 7 7 ALA H H 7 8.133 8.133 7.765 0.368 19856
789 1 14 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.984 0.204 19856
790 1 14 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.138 -0.197 19856
791 1 14 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.846 0.193 19856
792 1 14 . 1 1 8 8 LYS H H 8 7.355 7.355 7.999 -0.644 19856
793 1 14 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.515 -0.209 19856
794 1 14 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.352 0.497 19856
795 1 14 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.987 0.648 19856
796 1 14 . 1 1 9 9 VAL H H 9 7.570 7.570 7.524 0.046 19856
797 1 14 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.278 0.450 19856
798 1 14 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.512 0.429 19856
799 1 14 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.630 0.423 19856
800 1 14 . 1 1 13 13 VAL H H 13 8.242 8.242 8.098 0.144 19856
801 1 14 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.775 -0.203 19856
802 1 14 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.671 1.155 19856
803 1 14 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.036 0.358 19856
804 1 14 . 1 1 14 14 VAL H H 14 8.234 8.234 8.174 0.060 19856
805 1 14 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.337 0.729 19856
806 1 14 . 1 1 15 15 GLY H H 15 8.285 8.285 8.249 0.036 19856
807 1 14 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.421 -0.130 19856
808 1 14 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.140 1.791 19856
809 1 14 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.477 -0.975 19856
810 1 14 . 1 1 16 16 ALA H H 16 7.830 7.830 7.708 0.122 19856
811 1 14 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.893 -0.148 19856
812 1 14 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.389 -0.033 19856
813 1 14 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.724 0.379 19856
814 1 14 . 1 1 17 17 ILE H H 17 8.045 8.045 8.579 -0.534 19856
815 1 14 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856
816 1 14 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.180 1.235 19856
817 1 14 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.246 0.256 19856
818 1 14 . 1 1 18 18 ALA H H 18 8.467 8.467 7.726 0.741 19856
819 1 14 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.124 -0.140 19856
820 1 14 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.136 0.270 19856
821 1 14 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.066 -0.248 19856
822 1 14 . 1 1 19 19 GLU H H 19 8.007 8.007 8.118 -0.111 19856
823 1 14 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.552 -0.287 19856
824 1 14 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.659 1.731 19856
825 1 14 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.082 -0.522 19856
826 1 14 . 1 1 20 20 HIS H H 20 7.795 7.795 7.833 -0.038 19856
827 1 15 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.434 -0.436 19856
828 1 15 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.355 2.125 19856
829 1 15 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.295 0.152 19856
830 1 15 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.303 -0.138 19856
831 1 15 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.418 1.183 19856
832 1 15 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.092 -0.123 19856
833 1 15 . 1 1 3 3 PHE H H 3 8.946 8.946 8.483 0.463 19856
834 1 15 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.269 -0.366 19856
835 1 15 . 1 1 4 4 GLY H H 4 8.199 8.199 8.555 -0.356 19856
836 1 15 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.141 -0.356 19856
837 1 15 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.412 2.401 19856
838 1 15 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.068 -0.191 19856
839 1 15 . 1 1 5 5 VAL H H 5 7.715 7.715 7.704 0.011 19856
840 1 15 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.808 0.165 19856
841 1 15 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.904 -0.405 19856
842 1 15 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.685 0.799 19856
843 1 15 . 1 1 6 6 LEU H H 6 8.016 8.016 7.452 0.564 19856
844 1 15 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.016 -0.123 19856
845 1 15 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.536 0.340 19856
846 1 15 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.250 0.137 19856
847 1 15 . 1 1 7 7 ALA H H 7 8.133 8.133 7.767 0.366 19856
848 1 15 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.328 -0.140 19856
849 1 15 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.376 -0.434 19856
850 1 15 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.125 -0.086 19856
851 1 15 . 1 1 8 8 LYS H H 8 7.355 7.355 8.067 -0.712 19856
852 1 15 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.372 -0.066 19856
853 1 15 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.703 1.147 19856
854 1 15 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.893 0.741 19856
855 1 15 . 1 1 9 9 VAL H H 9 7.570 7.570 7.587 -0.017 19856
856 1 15 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.846 -0.118 19856
857 1 15 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.964 1.977 19856
858 1 15 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.193 0.860 19856
859 1 15 . 1 1 13 13 VAL H H 13 8.242 8.242 8.236 0.006 19856
860 1 15 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.818 -0.246 19856
861 1 15 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.069 0.758 19856
862 1 15 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.769 0.625 19856
863 1 15 . 1 1 14 14 VAL H H 14 8.234 8.234 8.312 -0.078 19856
864 1 15 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.732 0.334 19856
865 1 15 . 1 1 15 15 GLY H H 15 8.285 8.285 7.901 0.384 19856
866 1 15 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.305 -0.014 19856
867 1 15 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.477 1.454 19856
868 1 15 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.724 -1.222 19856
869 1 15 . 1 1 16 16 ALA H H 16 7.830 7.830 7.803 0.027 19856
870 1 15 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.984 -0.239 19856
871 1 15 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.476 -0.120 19856
872 1 15 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.883 0.220 19856
873 1 15 . 1 1 17 17 ILE H H 17 8.045 8.045 8.556 -0.511 19856
874 1 15 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.146 -0.111 19856
875 1 15 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.842 1.573 19856
876 1 15 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.463 0.039 19856
877 1 15 . 1 1 18 18 ALA H H 18 8.467 8.467 8.176 0.291 19856
878 1 15 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.188 -0.204 19856
879 1 15 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.934 0.472 19856
880 1 15 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.956 -0.138 19856
881 1 15 . 1 1 19 19 GLU H H 19 8.007 8.007 8.188 -0.180 19856
882 1 15 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.552 -0.287 19856
883 1 15 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.746 1.644 19856
884 1 15 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.217 -0.657 19856
885 1 15 . 1 1 20 20 HIS H H 20 7.795 7.795 7.876 -0.081 19856
886 1 16 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.329 -0.331 19856
887 1 16 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.342 2.138 19856
888 1 16 . 1 1 2 2 LEU CB C 2 42.447 42.447 41.996 0.451 19856
889 1 16 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.309 -0.144 19856
890 1 16 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.522 1.079 19856
891 1 16 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.158 -0.189 19856
892 1 16 . 1 1 3 3 PHE H H 3 8.946 8.946 8.464 0.482 19856
893 1 16 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.487 -0.584 19856
894 1 16 . 1 1 4 4 GLY H H 4 8.199 8.199 8.534 -0.335 19856
895 1 16 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.159 -0.374 19856
896 1 16 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.916 2.897 19856
897 1 16 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.207 -0.330 19856
898 1 16 . 1 1 5 5 VAL H H 5 7.715 7.715 7.538 0.177 19856
899 1 16 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.773 0.200 19856
900 1 16 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.877 -0.378 19856
901 1 16 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.710 0.774 19856
902 1 16 . 1 1 6 6 LEU H H 6 8.016 8.016 7.382 0.634 19856
903 1 16 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.049 -0.156 19856
904 1 16 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.575 0.301 19856
905 1 16 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.164 0.223 19856
906 1 16 . 1 1 7 7 ALA H H 7 8.133 8.133 7.792 0.341 19856
907 1 16 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.990 0.198 19856
908 1 16 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.326 -0.385 19856
909 1 16 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.879 0.160 19856
910 1 16 . 1 1 8 8 LYS H H 8 7.355 7.355 7.967 -0.612 19856
911 1 16 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.419 -0.113 19856
912 1 16 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.961 0.889 19856
913 1 16 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.979 0.656 19856
914 1 16 . 1 1 9 9 VAL H H 9 7.570 7.570 7.570 0.000 19856
915 1 16 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.351 0.377 19856
916 1 16 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.087 0.854 19856
917 1 16 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.308 0.745 19856
918 1 16 . 1 1 13 13 VAL H H 13 8.242 8.242 8.348 -0.106 19856
919 1 16 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.728 -0.156 19856
920 1 16 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.650 1.177 19856
921 1 16 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.075 0.319 19856
922 1 16 . 1 1 14 14 VAL H H 14 8.234 8.234 8.338 -0.104 19856
923 1 16 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856
924 1 16 . 1 1 15 15 GLY H H 15 8.285 8.285 7.666 0.619 19856
925 1 16 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.446 -0.155 19856
926 1 16 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.363 1.568 19856
927 1 16 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.517 -1.016 19856
928 1 16 . 1 1 16 16 ALA H H 16 7.830 7.830 7.740 0.090 19856
929 1 16 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.019 -0.274 19856
930 1 16 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.134 2.222 19856
931 1 16 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.366 1.737 19856
932 1 16 . 1 1 17 17 ILE H H 17 8.045 8.045 8.614 -0.569 19856
933 1 16 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.143 -0.108 19856
934 1 16 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.814 1.601 19856
935 1 16 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.464 0.038 19856
936 1 16 . 1 1 18 18 ALA H H 18 8.467 8.467 7.842 0.625 19856
937 1 16 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.157 -0.173 19856
938 1 16 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.009 0.397 19856
939 1 16 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.118 -0.300 19856
940 1 16 . 1 1 19 19 GLU H H 19 8.007 8.007 8.106 -0.099 19856
941 1 16 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.574 -0.309 19856
942 1 16 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.826 1.564 19856
943 1 16 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.265 -0.705 19856
944 1 16 . 1 1 20 20 HIS H H 20 7.795 7.795 7.860 -0.065 19856
945 1 17 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.522 -0.524 19856
946 1 17 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.740 2.740 19856
947 1 17 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.481 -0.034 19856
948 1 17 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.292 -0.127 19856
949 1 17 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.420 1.181 19856
950 1 17 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.179 -0.210 19856
951 1 17 . 1 1 3 3 PHE H H 3 8.946 8.946 8.505 0.441 19856
952 1 17 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.173 -0.270 19856
953 1 17 . 1 1 4 4 GLY H H 4 8.199 8.199 8.641 -0.442 19856
954 1 17 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.041 -0.256 19856
955 1 17 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.427 2.386 19856
956 1 17 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.324 -0.447 19856
957 1 17 . 1 1 5 5 VAL H H 5 7.715 7.715 7.621 0.094 19856
958 1 17 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.784 0.189 19856
959 1 17 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.721 -0.222 19856
960 1 17 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.845 0.639 19856
961 1 17 . 1 1 6 6 LEU H H 6 8.016 8.016 7.392 0.624 19856
962 1 17 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.043 -0.150 19856
963 1 17 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.584 0.292 19856
964 1 17 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.156 0.231 19856
965 1 17 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856
966 1 17 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.990 0.198 19856
967 1 17 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.356 -0.415 19856
968 1 17 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.903 0.136 19856
969 1 17 . 1 1 8 8 LYS H H 8 7.355 7.355 7.972 -0.617 19856
970 1 17 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.421 -0.115 19856
971 1 17 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.954 0.896 19856
972 1 17 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.977 0.658 19856
973 1 17 . 1 1 9 9 VAL H H 9 7.570 7.570 7.572 -0.002 19856
974 1 17 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.377 0.351 19856
975 1 17 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.365 0.576 19856
976 1 17 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.546 0.507 19856
977 1 17 . 1 1 13 13 VAL H H 13 8.242 8.242 8.264 -0.022 19856
978 1 17 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.779 -0.207 19856
979 1 17 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.906 0.921 19856
980 1 17 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.553 0.841 19856
981 1 17 . 1 1 14 14 VAL H H 14 8.234 8.234 8.393 -0.159 19856
982 1 17 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.630 0.436 19856
983 1 17 . 1 1 15 15 GLY H H 15 8.285 8.285 7.712 0.573 19856
984 1 17 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.413 -0.122 19856
985 1 17 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.971 1.960 19856
986 1 17 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.860 -1.359 19856
987 1 17 . 1 1 16 16 ALA H H 16 7.830 7.830 7.774 0.056 19856
988 1 17 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.018 -0.273 19856
989 1 17 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.136 2.220 19856
990 1 17 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.363 1.740 19856
991 1 17 . 1 1 17 17 ILE H H 17 8.045 8.045 8.614 -0.569 19856
992 1 17 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.149 -0.114 19856
993 1 17 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.745 1.670 19856
994 1 17 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.370 0.132 19856
995 1 17 . 1 1 18 18 ALA H H 18 8.467 8.467 7.915 0.552 19856
996 1 17 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.141 -0.157 19856
997 1 17 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.086 0.320 19856
998 1 17 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.065 -0.247 19856
999 1 17 . 1 1 19 19 GLU H H 19 8.007 8.007 8.173 -0.166 19856
1000 1 17 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.577 -0.312 19856
1001 1 17 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.853 1.537 19856
1002 1 17 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.327 -0.767 19856
1003 1 17 . 1 1 20 20 HIS H H 20 7.795 7.795 7.848 -0.053 19856
1004 1 18 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.193 -0.195 19856
1005 1 18 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.342 2.138 19856
1006 1 18 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.362 0.085 19856
1007 1 18 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.262 -0.097 19856
1008 1 18 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.489 1.112 19856
1009 1 18 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.110 -0.141 19856
1010 1 18 . 1 1 3 3 PHE H H 3 8.946 8.946 8.445 0.501 19856
1011 1 18 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.472 -0.569 19856
1012 1 18 . 1 1 4 4 GLY H H 4 8.199 8.199 8.587 -0.388 19856
1013 1 18 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.177 -0.392 19856
1014 1 18 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.712 3.101 19856
1015 1 18 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.135 -0.257 19856
1016 1 18 . 1 1 5 5 VAL H H 5 7.715 7.715 7.667 0.048 19856
1017 1 18 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.788 0.185 19856
1018 1 18 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.932 -0.433 19856
1019 1 18 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.750 0.734 19856
1020 1 18 . 1 1 6 6 LEU H H 6 8.016 8.016 7.397 0.619 19856
1021 1 18 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.060 -0.167 19856
1022 1 18 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.623 0.252 19856
1023 1 18 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.158 0.229 19856
1024 1 18 . 1 1 7 7 ALA H H 7 8.133 8.133 7.793 0.340 19856
1025 1 18 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.998 0.190 19856
1026 1 18 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.389 -0.448 19856
1027 1 18 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.902 0.137 19856
1028 1 18 . 1 1 8 8 LYS H H 8 7.355 7.355 8.001 -0.646 19856
1029 1 18 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.436 -0.130 19856
1030 1 18 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.949 0.901 19856
1031 1 18 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.965 0.670 19856
1032 1 18 . 1 1 9 9 VAL H H 9 7.570 7.570 7.591 -0.021 19856
1033 1 18 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.344 0.384 19856
1034 1 18 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.379 0.562 19856
1035 1 18 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.968 0.085 19856
1036 1 18 . 1 1 13 13 VAL H H 13 8.242 8.242 8.085 0.157 19856
1037 1 18 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.743 -0.171 19856
1038 1 18 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.864 0.963 19856
1039 1 18 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.739 0.655 19856
1040 1 18 . 1 1 14 14 VAL H H 14 8.234 8.234 8.340 -0.106 19856
1041 1 18 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.626 0.440 19856
1042 1 18 . 1 1 15 15 GLY H H 15 8.285 8.285 7.712 0.573 19856
1043 1 18 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.450 -0.159 19856
1044 1 18 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.361 1.570 19856
1045 1 18 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.525 -1.023 19856
1046 1 18 . 1 1 16 16 ALA H H 16 7.830 7.830 7.747 0.083 19856
1047 1 18 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.052 -0.307 19856
1048 1 18 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.159 2.197 19856
1049 1 18 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.400 1.704 19856
1050 1 18 . 1 1 17 17 ILE H H 17 8.045 8.045 8.629 -0.584 19856
1051 1 18 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.123 -0.088 19856
1052 1 18 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.849 1.566 19856
1053 1 18 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.477 0.025 19856
1054 1 18 . 1 1 18 18 ALA H H 18 8.467 8.467 7.841 0.626 19856
1055 1 18 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.169 -0.185 19856
1056 1 18 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.888 0.518 19856
1057 1 18 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.078 -0.259 19856
1058 1 18 . 1 1 19 19 GLU H H 19 8.007 8.007 8.096 -0.089 19856
1059 1 18 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.514 -0.249 19856
1060 1 18 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.763 1.627 19856
1061 1 18 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.184 -0.624 19856
1062 1 18 . 1 1 20 20 HIS H H 20 7.795 7.795 7.845 -0.050 19856
1063 1 19 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.654 -0.656 19856
1064 1 19 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.583 2.897 19856
1065 1 19 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.458 -0.011 19856
1066 1 19 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.271 -0.106 19856
1067 1 19 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.487 1.114 19856
1068 1 19 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.330 -0.361 19856
1069 1 19 . 1 1 3 3 PHE H H 3 8.946 8.946 8.459 0.487 19856
1070 1 19 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.233 -0.330 19856
1071 1 19 . 1 1 4 4 GLY H H 4 8.199 8.199 8.666 -0.467 19856
1072 1 19 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.081 -0.296 19856
1073 1 19 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.618 2.195 19856
1074 1 19 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.368 -0.491 19856
1075 1 19 . 1 1 5 5 VAL H H 5 7.715 7.715 7.544 0.171 19856
1076 1 19 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.799 0.174 19856
1077 1 19 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.738 -0.239 19856
1078 1 19 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.890 0.594 19856
1079 1 19 . 1 1 6 6 LEU H H 6 8.016 8.016 7.404 0.612 19856
1080 1 19 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.013 -0.120 19856
1081 1 19 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.574 0.302 19856
1082 1 19 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.239 0.148 19856
1083 1 19 . 1 1 7 7 ALA H H 7 8.133 8.133 7.759 0.374 19856
1084 1 19 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.331 -0.143 19856
1085 1 19 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.273 -0.332 19856
1086 1 19 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.011 0.028 19856
1087 1 19 . 1 1 8 8 LYS H H 8 7.355 7.355 8.078 -0.723 19856
1088 1 19 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.375 -0.069 19856
1089 1 19 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.129 0.721 19856
1090 1 19 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.472 1.163 19856
1091 1 19 . 1 1 9 9 VAL H H 9 7.570 7.570 7.645 -0.075 19856
1092 1 19 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.831 -0.103 19856
1093 1 19 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.902 2.039 19856
1094 1 19 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.335 0.718 19856
1095 1 19 . 1 1 13 13 VAL H H 13 8.242 8.242 8.223 0.019 19856
1096 1 19 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.760 -0.188 19856
1097 1 19 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.072 0.755 19856
1098 1 19 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.191 0.203 19856
1099 1 19 . 1 1 14 14 VAL H H 14 8.234 8.234 8.277 -0.043 19856
1100 1 19 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.663 0.403 19856
1101 1 19 . 1 1 15 15 GLY H H 15 8.285 8.285 7.783 0.502 19856
1102 1 19 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.453 -0.162 19856
1103 1 19 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.206 1.725 19856
1104 1 19 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.573 -1.071 19856
1105 1 19 . 1 1 16 16 ALA H H 16 7.830 7.830 7.860 -0.030 19856
1106 1 19 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.948 -0.203 19856
1107 1 19 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.463 -0.106 19856
1108 1 19 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.845 0.258 19856
1109 1 19 . 1 1 17 17 ILE H H 17 8.045 8.045 8.460 -0.415 19856
1110 1 19 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.161 -0.126 19856
1111 1 19 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.901 1.514 19856
1112 1 19 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.456 0.046 19856
1113 1 19 . 1 1 18 18 ALA H H 18 8.467 8.467 8.096 0.371 19856
1114 1 19 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.182 -0.198 19856
1115 1 19 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.954 0.452 19856
1116 1 19 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.953 -0.135 19856
1117 1 19 . 1 1 19 19 GLU H H 19 8.007 8.007 8.183 -0.176 19856
1118 1 19 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.599 -0.334 19856
1119 1 19 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.766 1.624 19856
1120 1 19 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.256 -0.696 19856
1121 1 19 . 1 1 20 20 HIS H H 20 7.795 7.795 7.886 -0.091 19856
1122 1 20 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.672 -0.674 19856
1123 1 20 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.718 2.761 19856
1124 1 20 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.208 0.239 19856
1125 1 20 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.325 -0.160 19856
1126 1 20 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.459 1.142 19856
1127 1 20 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.259 -0.290 19856
1128 1 20 . 1 1 3 3 PHE H H 3 8.946 8.946 8.487 0.459 19856
1129 1 20 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.166 -0.263 19856
1130 1 20 . 1 1 4 4 GLY H H 4 8.199 8.199 8.608 -0.409 19856
1131 1 20 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.088 -0.303 19856
1132 1 20 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.810 2.003 19856
1133 1 20 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.232 -0.355 19856
1134 1 20 . 1 1 5 5 VAL H H 5 7.715 7.715 7.546 0.169 19856
1135 1 20 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.866 0.107 19856
1136 1 20 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.837 -0.338 19856
1137 1 20 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.886 0.598 19856
1138 1 20 . 1 1 6 6 LEU H H 6 8.016 8.016 7.445 0.571 19856
1139 1 20 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.087 -0.194 19856
1140 1 20 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.593 0.283 19856
1141 1 20 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.231 0.156 19856
1142 1 20 . 1 1 7 7 ALA H H 7 8.133 8.133 7.772 0.361 19856
1143 1 20 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.252 -0.064 19856
1144 1 20 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.742 0.199 19856
1145 1 20 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.983 0.057 19856
1146 1 20 . 1 1 8 8 LYS H H 8 7.355 7.355 8.083 -0.728 19856
1147 1 20 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.414 -0.108 19856
1148 1 20 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.808 0.042 19856
1149 1 20 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.802 0.833 19856
1150 1 20 . 1 1 9 9 VAL H H 9 7.570 7.570 7.593 -0.023 19856
1151 1 20 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.812 -0.084 19856
1152 1 20 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.246 1.695 19856
1153 1 20 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.266 0.787 19856
1154 1 20 . 1 1 13 13 VAL H H 13 8.242 8.242 8.103 0.139 19856
1155 1 20 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.796 -0.224 19856
1156 1 20 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.757 0.070 19856
1157 1 20 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.685 0.709 19856
1158 1 20 . 1 1 14 14 VAL H H 14 8.234 8.234 8.339 -0.105 19856
1159 1 20 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.694 0.372 19856
1160 1 20 . 1 1 15 15 GLY H H 15 8.285 8.285 8.563 -0.278 19856
1161 1 20 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.306 -0.015 19856
1162 1 20 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.291 1.641 19856
1163 1 20 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.760 -1.258 19856
1164 1 20 . 1 1 16 16 ALA H H 16 7.830 7.830 7.667 0.163 19856
1165 1 20 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.942 -0.197 19856
1166 1 20 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.463 -0.107 19856
1167 1 20 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.861 0.242 19856
1168 1 20 . 1 1 17 17 ILE H H 17 8.045 8.045 8.620 -0.575 19856
1169 1 20 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856
1170 1 20 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.898 1.517 19856
1171 1 20 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.427 0.075 19856
1172 1 20 . 1 1 18 18 ALA H H 18 8.467 8.467 8.310 0.157 19856
1173 1 20 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.163 -0.179 19856
1174 1 20 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.219 0.187 19856
1175 1 20 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.020 -0.202 19856
1176 1 20 . 1 1 19 19 GLU H H 19 8.007 8.007 8.194 -0.187 19856
1177 1 20 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.596 -0.331 19856
1178 1 20 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.763 1.627 19856
1179 1 20 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.292 -0.732 19856
1180 1 20 . 1 1 20 20 HIS H H 20 7.795 7.795 7.870 -0.075 19856
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 19856
2 1 1 "Average Difference" HA 18 0.221 0.061 0.218 19856
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19856
4 1 1 "Average Difference" CA 16 1.302 -0.855 1.015 19856
5 1 1 "Average Difference" CB 14 0.529 -0.127 0.533 19856
6 1 1 "Average Difference" HN 15 0.358 -0.039 0.369 19856
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19856
8 1 2 "Average Difference" HA 18 0.230 0.059 0.229 19856
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19856
10 1 2 "Average Difference" CA 16 1.336 -0.966 0.954 19856
11 1 2 "Average Difference" CB 14 0.695 -0.144 0.706 19856
12 1 2 "Average Difference" HN 15 0.399 -0.080 0.405 19856
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19856
14 1 3 "Average Difference" HA 18 0.210 0.046 0.211 19856
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19856
16 1 3 "Average Difference" CA 16 1.085 -0.741 0.820 19856
17 1 3 "Average Difference" CB 14 0.626 -0.183 0.621 19856
18 1 3 "Average Difference" HN 15 0.342 -0.042 0.351 19856
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19856
20 1 4 "Average Difference" HA 18 0.197 0.042 0.198 19856
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19856
22 1 4 "Average Difference" CA 16 1.154 -0.832 0.826 19856
23 1 4 "Average Difference" CB 14 0.599 -0.121 0.608 19856
24 1 4 "Average Difference" HN 15 0.368 -0.060 0.376 19856
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19856
26 1 5 "Average Difference" HA 18 0.231 0.040 0.234 19856
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19856
28 1 5 "Average Difference" CA 16 1.179 -0.826 0.869 19856
29 1 5 "Average Difference" CB 14 0.467 -0.014 0.485 19856
30 1 5 "Average Difference" HN 15 0.345 -0.080 0.348 19856
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19856
32 1 6 "Average Difference" HA 18 0.221 0.075 0.214 19856
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19856
34 1 6 "Average Difference" CA 16 1.252 -0.931 0.865 19856
35 1 6 "Average Difference" CB 14 0.758 -0.262 0.738 19856
36 1 6 "Average Difference" HN 15 0.404 -0.069 0.412 19856
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19856
38 1 7 "Average Difference" HA 18 0.243 0.076 0.237 19856
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19856
40 1 7 "Average Difference" CA 16 1.383 -1.012 0.974 19856
41 1 7 "Average Difference" CB 14 0.649 -0.138 0.658 19856
42 1 7 "Average Difference" HN 15 0.390 -0.049 0.400 19856
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19856
44 1 8 "Average Difference" HA 18 0.234 0.069 0.231 19856
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19856
46 1 8 "Average Difference" CA 16 1.273 -0.875 0.956 19856
47 1 8 "Average Difference" CB 14 0.552 -0.056 0.570 19856
48 1 8 "Average Difference" HN 15 0.397 -0.061 0.406 19856
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19856
50 1 9 "Average Difference" HA 18 0.226 0.067 0.222 19856
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19856
52 1 9 "Average Difference" CA 16 1.312 -0.909 0.977 19856
53 1 9 "Average Difference" CB 14 0.662 -0.191 0.658 19856
54 1 9 "Average Difference" HN 15 0.394 -0.074 0.400 19856
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19856
56 1 10 "Average Difference" HA 18 0.196 0.104 0.171 19856
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19856
58 1 10 "Average Difference" CA 16 1.267 -0.822 0.996 19856
59 1 10 "Average Difference" CB 14 0.527 0.007 0.547 19856
60 1 10 "Average Difference" HN 15 0.356 0.014 0.368 19856
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19856
62 1 11 "Average Difference" HA 18 0.173 0.097 0.148 19856
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19856
64 1 11 "Average Difference" CA 16 1.297 -0.954 0.908 19856
65 1 11 "Average Difference" CB 14 0.723 -0.127 0.739 19856
66 1 11 "Average Difference" HN 15 0.354 0.023 0.365 19856
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19856
68 1 12 "Average Difference" HA 18 0.184 0.107 0.154 19856
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19856
70 1 12 "Average Difference" CA 16 1.256 -0.881 0.924 19856
71 1 12 "Average Difference" CB 14 0.621 -0.057 0.642 19856
72 1 12 "Average Difference" HN 15 0.367 0.025 0.379 19856
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19856
74 1 13 "Average Difference" HA 18 0.182 0.103 0.154 19856
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19856
76 1 13 "Average Difference" CA 16 1.095 -0.735 0.838 19856
77 1 13 "Average Difference" CB 14 0.591 -0.068 0.609 19856
78 1 13 "Average Difference" HN 15 0.349 0.010 0.361 19856
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19856
80 1 14 "Average Difference" HA 18 0.271 0.080 0.266 19856
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19856
82 1 14 "Average Difference" CA 16 1.504 -0.946 1.208 19856
83 1 14 "Average Difference" CB 14 0.475 -0.086 0.485 19856
84 1 14 "Average Difference" HN 15 0.412 -0.080 0.418 19856
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19856
86 1 15 "Average Difference" HA 18 0.200 0.107 0.174 19856
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19856
88 1 15 "Average Difference" CA 16 1.268 -0.880 0.943 19856
89 1 15 "Average Difference" CB 14 0.561 -0.083 0.576 19856
90 1 15 "Average Difference" HN 15 0.350 -0.012 0.362 19856
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19856
92 1 16 "Average Difference" HA 18 0.220 0.056 0.219 19856
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19856
94 1 16 "Average Difference" CA 16 1.380 -0.982 1.001 19856
95 1 16 "Average Difference" CB 14 0.694 -0.183 0.695 19856
96 1 16 "Average Difference" HN 15 0.401 -0.072 0.408 19856
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19856
98 1 17 "Average Difference" HA 18 0.226 0.066 0.223 19856
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19856
100 1 17 "Average Difference" CA 16 1.396 -1.014 0.990 19856
101 1 17 "Average Difference" CB 14 0.740 -0.130 0.756 19856
102 1 17 "Average Difference" HN 15 0.393 -0.045 0.404 19856
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19856
104 1 18 "Average Difference" HA 18 0.209 0.051 0.209 19856
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19856
106 1 18 "Average Difference" CA 16 1.394 -0.969 1.036 19856
107 1 18 "Average Difference" CB 14 0.654 -0.144 0.662 19856
108 1 18 "Average Difference" HN 15 0.403 -0.071 0.410 19856
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19856
110 1 19 "Average Difference" HA 18 0.229 0.115 0.204 19856
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19856
112 1 19 "Average Difference" CA 16 1.331 -0.921 0.993 19856
113 1 19 "Average Difference" CB 14 0.559 -0.028 0.579 19856
114 1 19 "Average Difference" HN 15 0.377 -0.034 0.389 19856
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19856
116 1 20 "Average Difference" HA 18 0.228 0.122 0.198 19856
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19856
118 1 20 "Average Difference" CA 16 1.223 -0.802 0.954 19856
119 1 20 "Average Difference" CB 14 0.579 -0.061 0.597 19856
120 1 20 "Average Difference" HN 15 0.358 0.024 0.370 19856
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 19856
_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 3.998 3.998 4.400 -0.402 19856
2 1 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.171 2.309 19856
3 1 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.294 0.153 19856
4 1 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.318 -0.153 19856
5 1 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.444 1.157 19856
6 1 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.187 -0.218 19856
7 1 . 1 1 3 3 PHE H H 3 8.946 8.946 8.451 0.495 19856
8 1 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.294 -0.391 19856
9 1 . 1 1 4 4 GLY H H 4 8.199 8.199 8.595 -0.396 19856
10 1 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.105 -0.320 19856
11 1 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.304 2.509 19856
12 1 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.228 -0.351 19856
13 1 . 1 1 5 5 VAL H H 5 7.715 7.715 7.529 0.186 19856
14 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.805 0.168 19856
15 1 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.808 -0.309 19856
16 1 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.811 0.673 19856
17 1 . 1 1 6 6 LEU H H 6 8.016 8.016 7.409 0.607 19856
18 1 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.027 -0.134 19856
19 1 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.629 0.247 19856
20 1 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.148 0.239 19856
21 1 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856
22 1 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.107 0.081 19856
23 1 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.180 -0.238 19856
24 1 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.936 0.104 19856
25 1 . 1 1 8 8 LYS H H 8 7.355 7.355 8.014 -0.659 19856
26 1 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.473 -0.167 19856
27 1 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.042 0.808 19856
28 1 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.772 0.863 19856
29 1 . 1 1 9 9 VAL H H 9 7.570 7.570 7.561 0.009 19856
30 1 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.497 0.231 19856
31 1 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.845 1.096 19856
32 1 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.554 0.499 19856
33 1 . 1 1 13 13 VAL H H 13 8.242 8.242 8.101 0.141 19856
34 1 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.789 -0.217 19856
35 1 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.017 0.810 19856
36 1 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.704 0.690 19856
37 1 . 1 1 14 14 VAL H H 14 8.234 8.234 8.259 -0.025 19856
38 1 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.612 0.454 19856
39 1 . 1 1 15 15 GLY H H 15 8.285 8.285 8.228 0.057 19856
40 1 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.365 -0.074 19856
41 1 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.276 1.655 19856
42 1 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.636 -1.135 19856
43 1 . 1 1 16 16 ALA H H 16 7.830 7.830 7.706 0.124 19856
44 1 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.967 -0.222 19856
45 1 . 1 1 17 17 ILE CA C 17 65.356 65.356 64.658 0.698 19856
46 1 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.329 0.774 19856
47 1 . 1 1 17 17 ILE H H 17 8.045 8.045 8.595 -0.550 19856
48 1 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.156 -0.121 19856
49 1 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.957 1.458 19856
50 1 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.380 0.123 19856
51 1 . 1 1 18 18 ALA H H 18 8.467 8.467 8.038 0.429 19856
52 1 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.154 -0.170 19856
53 1 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.056 0.350 19856
54 1 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.051 -0.233 19856
55 1 . 1 1 19 19 GLU H H 19 8.007 8.007 8.147 -0.140 19856
56 1 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.560 -0.295 19856
57 1 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.722 1.668 19856
58 1 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.205 -0.645 19856
59 1 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856
stop_
save_