data_19062
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19062
_Entry.PDB_ID 2M5N
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 19062
_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 THR N N 2 117.000 117.000 117.539 -0.539 19062
2 1 1 . 1 1 2 2 THR C C 2 173.500 173.500 173.744 -0.244 19062
3 1 1 . 1 1 2 2 THR CA C 2 62.600 62.600 61.968 0.632 19062
4 1 1 . 1 1 2 2 THR CB C 2 72.500 72.500 70.082 2.418 19062
5 1 1 . 1 1 3 3 ILE N N 3 127.000 127.000 123.793 3.207 19062
6 1 1 . 1 1 3 3 ILE C C 3 174.100 174.100 175.011 -0.911 19062
7 1 1 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.736 -1.536 19062
8 1 1 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.907 1.893 19062
9 1 1 . 1 1 4 4 ALA N N 4 128.000 128.000 130.134 -2.134 19062
10 1 1 . 1 1 4 4 ALA C C 4 174.500 174.500 176.192 -1.692 19062
11 1 1 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062
12 1 1 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.058 2.042 19062
13 1 1 . 1 1 5 5 ALA N N 5 125.100 125.100 126.625 -1.525 19062
14 1 1 . 1 1 5 5 ALA C C 5 173.300 173.300 176.158 -2.858 19062
15 1 1 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.032 -1.732 19062
16 1 1 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.224 2.676 19062
17 1 1 . 1 1 6 6 LEU N N 6 127.000 127.000 120.601 6.399 19062
18 1 1 . 1 1 6 6 LEU C C 6 174.200 174.200 175.879 -1.679 19062
19 1 1 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.132 -0.732 19062
20 1 1 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062
21 1 1 . 1 1 7 7 LEU N N 7 127.500 127.500 121.300 6.200 19062
22 1 1 . 1 1 7 7 LEU C C 7 173.900 173.900 177.119 -3.219 19062
23 1 1 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.921 -0.821 19062
24 1 1 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.979 1.321 19062
25 1 1 . 1 1 8 8 SER N N 8 117.200 117.200 119.163 -1.963 19062
26 1 1 . 1 1 8 8 SER C C 8 173.600 173.600 172.681 0.919 19062
27 1 1 . 1 1 8 8 SER CA C 8 55.400 55.400 57.131 -1.731 19062
28 1 1 . 1 1 8 8 SER CB C 8 63.200 63.200 63.614 -0.414 19062
29 1 1 . 1 1 9 9 PRO C C 9 174.800 174.800 175.855 -1.055 19062
30 1 1 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.228 -0.628 19062
31 1 1 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.201 0.399 19062
32 1 1 . 1 1 10 10 TYR N N 10 127.300 127.300 120.409 6.891 19062
33 1 1 . 1 1 10 10 TYR C C 10 173.600 173.600 176.013 -2.413 19062
34 1 1 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.924 -0.224 19062
35 1 1 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.329 3.471 19062
36 1 2 . 1 1 2 2 THR N N 2 117.000 117.000 117.024 -0.024 19062
37 1 2 . 1 1 2 2 THR C C 2 173.500 173.500 173.636 -0.136 19062
38 1 2 . 1 1 2 2 THR CA C 2 62.600 62.600 61.982 0.618 19062
39 1 2 . 1 1 2 2 THR CB C 2 72.500 72.500 70.037 2.463 19062
40 1 2 . 1 1 3 3 ILE N N 3 127.000 127.000 123.953 3.047 19062
41 1 2 . 1 1 3 3 ILE C C 3 174.100 174.100 175.003 -0.903 19062
42 1 2 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.655 -1.455 19062
43 1 2 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.899 1.901 19062
44 1 2 . 1 1 4 4 ALA N N 4 128.000 128.000 130.183 -2.183 19062
45 1 2 . 1 1 4 4 ALA C C 4 174.500 174.500 176.194 -1.694 19062
46 1 2 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.156 -2.256 19062
47 1 2 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.068 2.032 19062
48 1 2 . 1 1 5 5 ALA N N 5 125.100 125.100 126.617 -1.517 19062
49 1 2 . 1 1 5 5 ALA C C 5 173.300 173.300 176.166 -2.866 19062
50 1 2 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.031 -1.730 19062
51 1 2 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.218 2.683 19062
52 1 2 . 1 1 6 6 LEU N N 6 127.000 127.000 120.640 6.360 19062
53 1 2 . 1 1 6 6 LEU C C 6 174.200 174.200 175.875 -1.675 19062
54 1 2 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.132 -0.732 19062
55 1 2 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.444 2.056 19062
56 1 2 . 1 1 7 7 LEU N N 7 127.500 127.500 121.342 6.158 19062
57 1 2 . 1 1 7 7 LEU C C 7 173.900 173.900 177.133 -3.233 19062
58 1 2 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.929 -0.829 19062
59 1 2 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.005 1.295 19062
60 1 2 . 1 1 8 8 SER N N 8 117.200 117.200 119.165 -1.965 19062
61 1 2 . 1 1 8 8 SER C C 8 173.600 173.600 172.687 0.913 19062
62 1 2 . 1 1 8 8 SER CA C 8 55.400 55.400 57.217 -1.817 19062
63 1 2 . 1 1 8 8 SER CB C 8 63.200 63.200 63.662 -0.462 19062
64 1 2 . 1 1 9 9 PRO C C 9 174.800 174.800 175.855 -1.055 19062
65 1 2 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.243 -0.643 19062
66 1 2 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.195 0.405 19062
67 1 2 . 1 1 10 10 TYR N N 10 127.300 127.300 120.373 6.927 19062
68 1 2 . 1 1 10 10 TYR C C 10 173.600 173.600 175.955 -2.355 19062
69 1 2 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.958 -0.258 19062
70 1 2 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.354 3.446 19062
71 1 3 . 1 1 2 2 THR N N 2 117.000 117.000 117.180 -0.180 19062
72 1 3 . 1 1 2 2 THR C C 2 173.500 173.500 173.778 -0.278 19062
73 1 3 . 1 1 2 2 THR CA C 2 62.600 62.600 61.983 0.617 19062
74 1 3 . 1 1 2 2 THR CB C 2 72.500 72.500 69.986 2.514 19062
75 1 3 . 1 1 3 3 ILE N N 3 127.000 127.000 124.078 2.922 19062
76 1 3 . 1 1 3 3 ILE C C 3 174.100 174.100 175.072 -0.972 19062
77 1 3 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.718 -1.518 19062
78 1 3 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.968 1.832 19062
79 1 3 . 1 1 4 4 ALA N N 4 128.000 128.000 130.204 -2.204 19062
80 1 3 . 1 1 4 4 ALA C C 4 174.500 174.500 176.191 -1.691 19062
81 1 3 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062
82 1 3 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.059 2.041 19062
83 1 3 . 1 1 5 5 ALA N N 5 125.100 125.100 126.616 -1.516 19062
84 1 3 . 1 1 5 5 ALA C C 5 173.300 173.300 176.160 -2.860 19062
85 1 3 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.024 -1.724 19062
86 1 3 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.232 2.668 19062
87 1 3 . 1 1 6 6 LEU N N 6 127.000 127.000 120.621 6.379 19062
88 1 3 . 1 1 6 6 LEU C C 6 174.200 174.200 175.879 -1.679 19062
89 1 3 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.128 -0.728 19062
90 1 3 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.441 2.059 19062
91 1 3 . 1 1 7 7 LEU N N 7 127.500 127.500 122.268 5.232 19062
92 1 3 . 1 1 7 7 LEU C C 7 173.900 173.900 177.007 -3.107 19062
93 1 3 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.843 -0.743 19062
94 1 3 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.146 1.154 19062
95 1 3 . 1 1 8 8 SER N N 8 117.200 117.200 118.517 -1.317 19062
96 1 3 . 1 1 8 8 SER C C 8 173.600 173.600 172.688 0.912 19062
97 1 3 . 1 1 8 8 SER CA C 8 55.400 55.400 56.741 -1.341 19062
98 1 3 . 1 1 8 8 SER CB C 8 63.200 63.200 63.278 -0.078 19062
99 1 3 . 1 1 9 9 PRO C C 9 174.800 174.800 175.869 -1.069 19062
100 1 3 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.118 -0.518 19062
101 1 3 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.221 0.379 19062
102 1 3 . 1 1 10 10 TYR N N 10 127.300 127.300 120.422 6.878 19062
103 1 3 . 1 1 10 10 TYR C C 10 173.600 173.600 175.894 -2.294 19062
104 1 3 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.964 -0.264 19062
105 1 3 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.332 3.468 19062
106 1 4 . 1 1 2 2 THR N N 2 117.000 117.000 117.591 -0.591 19062
107 1 4 . 1 1 2 2 THR C C 2 173.500 173.500 173.673 -0.173 19062
108 1 4 . 1 1 2 2 THR CA C 2 62.600 62.600 62.074 0.526 19062
109 1 4 . 1 1 2 2 THR CB C 2 72.500 72.500 70.133 2.367 19062
110 1 4 . 1 1 3 3 ILE N N 3 127.000 127.000 123.766 3.234 19062
111 1 4 . 1 1 3 3 ILE C C 3 174.100 174.100 174.974 -0.874 19062
112 1 4 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.696 -1.496 19062
113 1 4 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.834 1.966 19062
114 1 4 . 1 1 4 4 ALA N N 4 128.000 128.000 130.181 -2.181 19062
115 1 4 . 1 1 4 4 ALA C C 4 174.500 174.500 176.189 -1.689 19062
116 1 4 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.167 -2.267 19062
117 1 4 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.059 2.041 19062
118 1 4 . 1 1 5 5 ALA N N 5 125.100 125.100 126.672 -1.572 19062
119 1 4 . 1 1 5 5 ALA C C 5 173.300 173.300 176.170 -2.870 19062
120 1 4 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.048 -1.748 19062
121 1 4 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.202 2.698 19062
122 1 4 . 1 1 6 6 LEU N N 6 127.000 127.000 120.767 6.233 19062
123 1 4 . 1 1 6 6 LEU C C 6 174.200 174.200 175.884 -1.684 19062
124 1 4 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.130 -0.730 19062
125 1 4 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.415 2.085 19062
126 1 4 . 1 1 7 7 LEU N N 7 127.500 127.500 122.474 5.026 19062
127 1 4 . 1 1 7 7 LEU C C 7 173.900 173.900 177.026 -3.126 19062
128 1 4 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.852 -0.752 19062
129 1 4 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.175 1.125 19062
130 1 4 . 1 1 8 8 SER N N 8 117.200 117.200 118.680 -1.480 19062
131 1 4 . 1 1 8 8 SER C C 8 173.600 173.600 172.711 0.889 19062
132 1 4 . 1 1 8 8 SER CA C 8 55.400 55.400 56.766 -1.366 19062
133 1 4 . 1 1 8 8 SER CB C 8 63.200 63.200 63.333 -0.133 19062
134 1 4 . 1 1 9 9 PRO C C 9 174.800 174.800 175.863 -1.063 19062
135 1 4 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.127 -0.527 19062
136 1 4 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.221 0.378 19062
137 1 4 . 1 1 10 10 TYR N N 10 127.300 127.300 120.264 7.036 19062
138 1 4 . 1 1 10 10 TYR C C 10 173.600 173.600 176.009 -2.409 19062
139 1 4 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.948 -0.248 19062
140 1 4 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.368 3.432 19062
141 1 5 . 1 1 2 2 THR N N 2 117.000 117.000 117.557 -0.557 19062
142 1 5 . 1 1 2 2 THR C C 2 173.500 173.500 173.749 -0.249 19062
143 1 5 . 1 1 2 2 THR CA C 2 62.600 62.600 61.940 0.660 19062
144 1 5 . 1 1 2 2 THR CB C 2 72.500 72.500 70.060 2.440 19062
145 1 5 . 1 1 3 3 ILE N N 3 127.000 127.000 123.835 3.165 19062
146 1 5 . 1 1 3 3 ILE C C 3 174.100 174.100 175.022 -0.922 19062
147 1 5 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.718 -1.518 19062
148 1 5 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062
149 1 5 . 1 1 4 4 ALA N N 4 128.000 128.000 130.115 -2.115 19062
150 1 5 . 1 1 4 4 ALA C C 4 174.500 174.500 176.196 -1.696 19062
151 1 5 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.163 -2.263 19062
152 1 5 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.055 2.045 19062
153 1 5 . 1 1 5 5 ALA N N 5 125.100 125.100 126.672 -1.572 19062
154 1 5 . 1 1 5 5 ALA C C 5 173.300 173.300 176.177 -2.877 19062
155 1 5 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.050 -1.750 19062
156 1 5 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.199 2.701 19062
157 1 5 . 1 1 6 6 LEU N N 6 127.000 127.000 120.875 6.125 19062
158 1 5 . 1 1 6 6 LEU C C 6 174.200 174.200 175.889 -1.689 19062
159 1 5 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.120 -0.720 19062
160 1 5 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.413 2.087 19062
161 1 5 . 1 1 7 7 LEU N N 7 127.500 127.500 121.626 5.874 19062
162 1 5 . 1 1 7 7 LEU C C 7 173.900 173.900 177.038 -3.138 19062
163 1 5 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.898 -0.798 19062
164 1 5 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.893 1.407 19062
165 1 5 . 1 1 8 8 SER N N 8 117.200 117.200 117.584 -0.384 19062
166 1 5 . 1 1 8 8 SER C C 8 173.600 173.600 172.783 0.817 19062
167 1 5 . 1 1 8 8 SER CA C 8 55.400 55.400 56.879 -1.479 19062
168 1 5 . 1 1 8 8 SER CB C 8 63.200 63.200 63.267 -0.067 19062
169 1 5 . 1 1 9 9 PRO C C 9 174.800 174.800 175.783 -0.983 19062
170 1 5 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.192 -0.592 19062
171 1 5 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.150 0.450 19062
172 1 5 . 1 1 10 10 TYR N N 10 127.300 127.300 120.400 6.900 19062
173 1 5 . 1 1 10 10 TYR C C 10 173.600 173.600 175.895 -2.295 19062
174 1 5 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.914 -0.214 19062
175 1 5 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.339 3.461 19062
176 1 6 . 1 1 2 2 THR N N 2 117.000 117.000 117.171 -0.171 19062
177 1 6 . 1 1 2 2 THR C C 2 173.500 173.500 173.624 -0.124 19062
178 1 6 . 1 1 2 2 THR CA C 2 62.600 62.600 61.996 0.604 19062
179 1 6 . 1 1 2 2 THR CB C 2 72.500 72.500 70.051 2.449 19062
180 1 6 . 1 1 3 3 ILE N N 3 127.000 127.000 123.843 3.157 19062
181 1 6 . 1 1 3 3 ILE C C 3 174.100 174.100 175.003 -0.903 19062
182 1 6 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.637 -1.437 19062
183 1 6 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.929 1.871 19062
184 1 6 . 1 1 4 4 ALA N N 4 128.000 128.000 130.019 -2.019 19062
185 1 6 . 1 1 4 4 ALA C C 4 174.500 174.500 176.198 -1.698 19062
186 1 6 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.161 -2.261 19062
187 1 6 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.044 2.056 19062
188 1 6 . 1 1 5 5 ALA N N 5 125.100 125.100 126.635 -1.535 19062
189 1 6 . 1 1 5 5 ALA C C 5 173.300 173.300 176.152 -2.852 19062
190 1 6 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.023 -1.723 19062
191 1 6 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.237 2.663 19062
192 1 6 . 1 1 6 6 LEU N N 6 127.000 127.000 120.556 6.444 19062
193 1 6 . 1 1 6 6 LEU C C 6 174.200 174.200 175.902 -1.702 19062
194 1 6 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.118 -0.718 19062
195 1 6 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.417 2.083 19062
196 1 6 . 1 1 7 7 LEU N N 7 127.500 127.500 121.327 6.173 19062
197 1 6 . 1 1 7 7 LEU C C 7 173.900 173.900 177.169 -3.269 19062
198 1 6 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.910 -0.810 19062
199 1 6 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.942 1.358 19062
200 1 6 . 1 1 8 8 SER N N 8 117.200 117.200 119.009 -1.809 19062
201 1 6 . 1 1 8 8 SER C C 8 173.600 173.600 172.710 0.890 19062
202 1 6 . 1 1 8 8 SER CA C 8 55.400 55.400 56.815 -1.415 19062
203 1 6 . 1 1 8 8 SER CB C 8 63.200 63.200 63.764 -0.564 19062
204 1 6 . 1 1 9 9 PRO C C 9 174.800 174.800 175.851 -1.051 19062
205 1 6 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.290 -0.690 19062
206 1 6 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.254 0.346 19062
207 1 6 . 1 1 10 10 TYR N N 10 127.300 127.300 120.109 7.191 19062
208 1 6 . 1 1 10 10 TYR C C 10 173.600 173.600 175.989 -2.389 19062
209 1 6 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.809 -0.109 19062
210 1 6 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.151 3.648 19062
211 1 7 . 1 1 2 2 THR N N 2 117.000 117.000 117.049 -0.049 19062
212 1 7 . 1 1 2 2 THR C C 2 173.500 173.500 173.750 -0.250 19062
213 1 7 . 1 1 2 2 THR CA C 2 62.600 62.600 62.098 0.502 19062
214 1 7 . 1 1 2 2 THR CB C 2 72.500 72.500 69.989 2.511 19062
215 1 7 . 1 1 3 3 ILE N N 3 127.000 127.000 123.966 3.034 19062
216 1 7 . 1 1 3 3 ILE C C 3 174.100 174.100 175.080 -0.980 19062
217 1 7 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.678 -1.478 19062
218 1 7 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.061 1.739 19062
219 1 7 . 1 1 4 4 ALA N N 4 128.000 128.000 130.029 -2.029 19062
220 1 7 . 1 1 4 4 ALA C C 4 174.500 174.500 176.195 -1.695 19062
221 1 7 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.153 -2.253 19062
222 1 7 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.048 2.052 19062
223 1 7 . 1 1 5 5 ALA N N 5 125.100 125.100 126.616 -1.516 19062
224 1 7 . 1 1 5 5 ALA C C 5 173.300 173.300 176.154 -2.854 19062
225 1 7 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.024 -1.724 19062
226 1 7 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.236 2.664 19062
227 1 7 . 1 1 6 6 LEU N N 6 127.000 127.000 120.603 6.397 19062
228 1 7 . 1 1 6 6 LEU C C 6 174.200 174.200 175.881 -1.681 19062
229 1 7 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.126 -0.726 19062
230 1 7 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062
231 1 7 . 1 1 7 7 LEU N N 7 127.500 127.500 121.367 6.133 19062
232 1 7 . 1 1 7 7 LEU C C 7 173.900 173.900 177.132 -3.232 19062
233 1 7 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.915 -0.815 19062
234 1 7 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.943 1.357 19062
235 1 7 . 1 1 8 8 SER N N 8 117.200 117.200 119.134 -1.934 19062
236 1 7 . 1 1 8 8 SER C C 8 173.600 173.600 172.671 0.929 19062
237 1 7 . 1 1 8 8 SER CA C 8 55.400 55.400 57.123 -1.724 19062
238 1 7 . 1 1 8 8 SER CB C 8 63.200 63.200 63.725 -0.525 19062
239 1 7 . 1 1 9 9 PRO C C 9 174.800 174.800 175.850 -1.050 19062
240 1 7 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.281 -0.681 19062
241 1 7 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.230 0.370 19062
242 1 7 . 1 1 10 10 TYR N N 10 127.300 127.300 120.278 7.022 19062
243 1 7 . 1 1 10 10 TYR C C 10 173.600 173.600 176.228 -2.628 19062
244 1 7 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.724 -0.023 19062
245 1 7 . 1 1 10 10 TYR CB C 10 43.800 43.800 39.896 3.904 19062
246 1 8 . 1 1 2 2 THR N N 2 117.000 117.000 117.098 -0.098 19062
247 1 8 . 1 1 2 2 THR C C 2 173.500 173.500 173.627 -0.127 19062
248 1 8 . 1 1 2 2 THR CA C 2 62.600 62.600 61.985 0.615 19062
249 1 8 . 1 1 2 2 THR CB C 2 72.500 72.500 70.047 2.453 19062
250 1 8 . 1 1 3 3 ILE N N 3 127.000 127.000 123.868 3.132 19062
251 1 8 . 1 1 3 3 ILE C C 3 174.100 174.100 175.014 -0.914 19062
252 1 8 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.626 -1.426 19062
253 1 8 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.944 1.856 19062
254 1 8 . 1 1 4 4 ALA N N 4 128.000 128.000 130.001 -2.001 19062
255 1 8 . 1 1 4 4 ALA C C 4 174.500 174.500 176.201 -1.701 19062
256 1 8 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062
257 1 8 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.039 2.061 19062
258 1 8 . 1 1 5 5 ALA N N 5 125.100 125.100 126.664 -1.564 19062
259 1 8 . 1 1 5 5 ALA C C 5 173.300 173.300 176.160 -2.860 19062
260 1 8 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.038 -1.738 19062
261 1 8 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.224 2.676 19062
262 1 8 . 1 1 6 6 LEU N N 6 127.000 127.000 120.699 6.301 19062
263 1 8 . 1 1 6 6 LEU C C 6 174.200 174.200 175.880 -1.680 19062
264 1 8 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.114 -0.714 19062
265 1 8 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062
266 1 8 . 1 1 7 7 LEU N N 7 127.500 127.500 121.351 6.149 19062
267 1 8 . 1 1 7 7 LEU C C 7 173.900 173.900 177.077 -3.177 19062
268 1 8 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.916 -0.816 19062
269 1 8 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.946 1.355 19062
270 1 8 . 1 1 8 8 SER N N 8 117.200 117.200 118.917 -1.717 19062
271 1 8 . 1 1 8 8 SER C C 8 173.600 173.600 172.665 0.935 19062
272 1 8 . 1 1 8 8 SER CA C 8 55.400 55.400 57.085 -1.685 19062
273 1 8 . 1 1 8 8 SER CB C 8 63.200 63.200 63.504 -0.304 19062
274 1 8 . 1 1 9 9 PRO C C 9 174.800 174.800 175.826 -1.026 19062
275 1 8 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.240 -0.640 19062
276 1 8 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.222 0.378 19062
277 1 8 . 1 1 10 10 TYR N N 10 127.300 127.300 120.267 7.033 19062
278 1 8 . 1 1 10 10 TYR C C 10 173.600 173.600 175.797 -2.197 19062
279 1 8 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.753 -0.053 19062
280 1 8 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.103 3.697 19062
281 1 9 . 1 1 2 2 THR N N 2 117.000 117.000 117.046 -0.046 19062
282 1 9 . 1 1 2 2 THR C C 2 173.500 173.500 173.759 -0.259 19062
283 1 9 . 1 1 2 2 THR CA C 2 62.600 62.600 62.075 0.525 19062
284 1 9 . 1 1 2 2 THR CB C 2 72.500 72.500 69.964 2.536 19062
285 1 9 . 1 1 3 3 ILE N N 3 127.000 127.000 124.011 2.989 19062
286 1 9 . 1 1 3 3 ILE C C 3 174.100 174.100 175.087 -0.987 19062
287 1 9 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.687 -1.487 19062
288 1 9 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.059 1.741 19062
289 1 9 . 1 1 4 4 ALA N N 4 128.000 128.000 130.036 -2.036 19062
290 1 9 . 1 1 4 4 ALA C C 4 174.500 174.500 176.199 -1.699 19062
291 1 9 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.156 -2.256 19062
292 1 9 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.049 2.051 19062
293 1 9 . 1 1 5 5 ALA N N 5 125.100 125.100 126.614 -1.514 19062
294 1 9 . 1 1 5 5 ALA C C 5 173.300 173.300 176.154 -2.854 19062
295 1 9 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.020 -1.720 19062
296 1 9 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.237 2.663 19062
297 1 9 . 1 1 6 6 LEU N N 6 127.000 127.000 120.526 6.474 19062
298 1 9 . 1 1 6 6 LEU C C 6 174.200 174.200 175.889 -1.689 19062
299 1 9 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.118 -0.718 19062
300 1 9 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.431 2.069 19062
301 1 9 . 1 1 7 7 LEU N N 7 127.500 127.500 122.334 5.166 19062
302 1 9 . 1 1 7 7 LEU C C 7 173.900 173.900 177.019 -3.119 19062
303 1 9 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.861 -0.761 19062
304 1 9 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.141 1.159 19062
305 1 9 . 1 1 8 8 SER N N 8 117.200 117.200 118.497 -1.297 19062
306 1 9 . 1 1 8 8 SER C C 8 173.600 173.600 172.693 0.907 19062
307 1 9 . 1 1 8 8 SER CA C 8 55.400 55.400 56.803 -1.403 19062
308 1 9 . 1 1 8 8 SER CB C 8 63.200 63.200 63.305 -0.105 19062
309 1 9 . 1 1 9 9 PRO C C 9 174.800 174.800 175.895 -1.095 19062
310 1 9 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.184 -0.585 19062
311 1 9 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.245 0.355 19062
312 1 9 . 1 1 10 10 TYR N N 10 127.300 127.300 120.252 7.048 19062
313 1 9 . 1 1 10 10 TYR C C 10 173.600 173.600 176.098 -2.498 19062
314 1 9 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.784 -0.084 19062
315 1 9 . 1 1 10 10 TYR CB C 10 43.800 43.800 39.999 3.801 19062
316 1 10 . 1 1 2 2 THR N N 2 117.000 117.000 117.565 -0.565 19062
317 1 10 . 1 1 2 2 THR C C 2 173.500 173.500 173.739 -0.239 19062
318 1 10 . 1 1 2 2 THR CA C 2 62.600 62.600 61.974 0.626 19062
319 1 10 . 1 1 2 2 THR CB C 2 72.500 72.500 70.083 2.417 19062
320 1 10 . 1 1 3 3 ILE N N 3 127.000 127.000 123.755 3.245 19062
321 1 10 . 1 1 3 3 ILE C C 3 174.100 174.100 175.032 -0.932 19062
322 1 10 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.703 -1.503 19062
323 1 10 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.928 1.872 19062
324 1 10 . 1 1 4 4 ALA N N 4 128.000 128.000 130.047 -2.047 19062
325 1 10 . 1 1 4 4 ALA C C 4 174.500 174.500 176.198 -1.698 19062
326 1 10 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.159 -2.259 19062
327 1 10 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.049 2.051 19062
328 1 10 . 1 1 5 5 ALA N N 5 125.100 125.100 126.643 -1.543 19062
329 1 10 . 1 1 5 5 ALA C C 5 173.300 173.300 176.157 -2.857 19062
330 1 10 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.028 -1.728 19062
331 1 10 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.230 2.670 19062
332 1 10 . 1 1 6 6 LEU N N 6 127.000 127.000 120.620 6.380 19062
333 1 10 . 1 1 6 6 LEU C C 6 174.200 174.200 175.901 -1.701 19062
334 1 10 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.114 -0.714 19062
335 1 10 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.414 2.086 19062
336 1 10 . 1 1 7 7 LEU N N 7 127.500 127.500 121.412 6.088 19062
337 1 10 . 1 1 7 7 LEU C C 7 173.900 173.900 177.146 -3.246 19062
338 1 10 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.924 -0.824 19062
339 1 10 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.978 1.322 19062
340 1 10 . 1 1 8 8 SER N N 8 117.200 117.200 119.124 -1.924 19062
341 1 10 . 1 1 8 8 SER C C 8 173.600 173.600 172.691 0.909 19062
342 1 10 . 1 1 8 8 SER CA C 8 55.400 55.400 57.132 -1.732 19062
343 1 10 . 1 1 8 8 SER CB C 8 63.200 63.200 63.804 -0.604 19062
344 1 10 . 1 1 9 9 PRO C C 9 174.800 174.800 175.847 -1.047 19062
345 1 10 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.283 -0.683 19062
346 1 10 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062
347 1 10 . 1 1 10 10 TYR N N 10 127.300 127.300 120.065 7.235 19062
348 1 10 . 1 1 10 10 TYR C C 10 173.600 173.600 176.052 -2.452 19062
349 1 10 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.522 0.178 19062
350 1 10 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.185 3.615 19062
351 1 11 . 1 1 2 2 THR N N 2 117.000 117.000 117.904 -0.904 19062
352 1 11 . 1 1 2 2 THR C C 2 173.500 173.500 173.761 -0.261 19062
353 1 11 . 1 1 2 2 THR CA C 2 62.600 62.600 61.967 0.633 19062
354 1 11 . 1 1 2 2 THR CB C 2 72.500 72.500 70.039 2.461 19062
355 1 11 . 1 1 3 3 ILE N N 3 127.000 127.000 124.208 2.792 19062
356 1 11 . 1 1 3 3 ILE C C 3 174.100 174.100 174.901 -0.801 19062
357 1 11 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.851 -1.651 19062
358 1 11 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.894 1.907 19062
359 1 11 . 1 1 4 4 ALA N N 4 128.000 128.000 130.374 -2.374 19062
360 1 11 . 1 1 4 4 ALA C C 4 174.500 174.500 176.196 -1.696 19062
361 1 11 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.147 -2.247 19062
362 1 11 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.074 2.026 19062
363 1 11 . 1 1 5 5 ALA N N 5 125.100 125.100 126.938 -1.838 19062
364 1 11 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062
365 1 11 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.149 -1.849 19062
366 1 11 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.015 2.885 19062
367 1 11 . 1 1 6 6 LEU N N 6 127.000 127.000 121.279 5.721 19062
368 1 11 . 1 1 6 6 LEU C C 6 174.200 174.200 175.968 -1.768 19062
369 1 11 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.063 -0.663 19062
370 1 11 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.454 2.046 19062
371 1 11 . 1 1 7 7 LEU N N 7 127.500 127.500 122.727 4.773 19062
372 1 11 . 1 1 7 7 LEU C C 7 173.900 173.900 177.179 -3.279 19062
373 1 11 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.628 -0.528 19062
374 1 11 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.843 1.457 19062
375 1 11 . 1 1 8 8 SER N N 8 117.200 117.200 119.413 -2.213 19062
376 1 11 . 1 1 8 8 SER C C 8 173.600 173.600 172.664 0.936 19062
377 1 11 . 1 1 8 8 SER CA C 8 55.400 55.400 56.780 -1.380 19062
378 1 11 . 1 1 8 8 SER CB C 8 63.200 63.200 63.209 -0.009 19062
379 1 11 . 1 1 9 9 PRO C C 9 174.800 174.800 175.991 -1.191 19062
380 1 11 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.160 -0.560 19062
381 1 11 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.223 0.377 19062
382 1 11 . 1 1 10 10 TYR N N 10 127.300 127.300 120.070 7.230 19062
383 1 11 . 1 1 10 10 TYR C C 10 173.600 173.600 175.752 -2.152 19062
384 1 11 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.874 -0.174 19062
385 1 11 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.797 3.003 19062
386 1 12 . 1 1 2 2 THR N N 2 117.000 117.000 116.984 0.016 19062
387 1 12 . 1 1 2 2 THR C C 2 173.500 173.500 173.735 -0.235 19062
388 1 12 . 1 1 2 2 THR CA C 2 62.600 62.600 62.115 0.485 19062
389 1 12 . 1 1 2 2 THR CB C 2 72.500 72.500 70.012 2.488 19062
390 1 12 . 1 1 3 3 ILE N N 3 127.000 127.000 123.990 3.010 19062
391 1 12 . 1 1 3 3 ILE C C 3 174.100 174.100 175.056 -0.956 19062
392 1 12 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.579 -1.379 19062
393 1 12 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.030 1.770 19062
394 1 12 . 1 1 4 4 ALA N N 4 128.000 128.000 129.744 -1.744 19062
395 1 12 . 1 1 4 4 ALA C C 4 174.500 174.500 176.135 -1.635 19062
396 1 12 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.045 -2.146 19062
397 1 12 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.227 1.873 19062
398 1 12 . 1 1 5 5 ALA N N 5 125.100 125.100 125.738 -0.638 19062
399 1 12 . 1 1 5 5 ALA C C 5 173.300 173.300 176.227 -2.927 19062
400 1 12 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.028 -1.728 19062
401 1 12 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.270 2.630 19062
402 1 12 . 1 1 6 6 LEU N N 6 127.000 127.000 123.983 3.017 19062
403 1 12 . 1 1 6 6 LEU C C 6 174.200 174.200 175.729 -1.529 19062
404 1 12 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.786 -0.386 19062
405 1 12 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.452 3.048 19062
406 1 12 . 1 1 7 7 LEU N N 7 127.500 127.500 122.936 4.564 19062
407 1 12 . 1 1 7 7 LEU C C 7 173.900 173.900 176.989 -3.089 19062
408 1 12 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.782 -0.682 19062
409 1 12 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.531 1.769 19062
410 1 12 . 1 1 8 8 SER N N 8 117.200 117.200 119.647 -2.447 19062
411 1 12 . 1 1 8 8 SER C C 8 173.600 173.600 172.593 1.007 19062
412 1 12 . 1 1 8 8 SER CA C 8 55.400 55.400 57.125 -1.725 19062
413 1 12 . 1 1 8 8 SER CB C 8 63.200 63.200 63.754 -0.554 19062
414 1 12 . 1 1 9 9 PRO C C 9 174.800 174.800 175.809 -1.009 19062
415 1 12 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.210 -0.610 19062
416 1 12 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.183 0.417 19062
417 1 12 . 1 1 10 10 TYR N N 10 127.300 127.300 119.936 7.364 19062
418 1 12 . 1 1 10 10 TYR C C 10 173.600 173.600 175.802 -2.202 19062
419 1 12 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.849 -0.149 19062
420 1 12 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.402 3.398 19062
421 1 13 . 1 1 2 2 THR N N 2 117.000 117.000 117.603 -0.603 19062
422 1 13 . 1 1 2 2 THR C C 2 173.500 173.500 173.662 -0.162 19062
423 1 13 . 1 1 2 2 THR CA C 2 62.600 62.600 62.077 0.523 19062
424 1 13 . 1 1 2 2 THR CB C 2 72.500 72.500 70.162 2.338 19062
425 1 13 . 1 1 3 3 ILE N N 3 127.000 127.000 123.719 3.281 19062
426 1 13 . 1 1 3 3 ILE C C 3 174.100 174.100 174.947 -0.847 19062
427 1 13 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.595 -1.395 19062
428 1 13 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.873 1.927 19062
429 1 13 . 1 1 4 4 ALA N N 4 128.000 128.000 129.754 -1.754 19062
430 1 13 . 1 1 4 4 ALA C C 4 174.500 174.500 176.132 -1.632 19062
431 1 13 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.041 -2.140 19062
432 1 13 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.227 1.873 19062
433 1 13 . 1 1 5 5 ALA N N 5 125.100 125.100 125.742 -0.642 19062
434 1 13 . 1 1 5 5 ALA C C 5 173.300 173.300 176.225 -2.925 19062
435 1 13 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.029 -1.729 19062
436 1 13 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.275 2.625 19062
437 1 13 . 1 1 6 6 LEU N N 6 127.000 127.000 123.651 3.349 19062
438 1 13 . 1 1 6 6 LEU C C 6 174.200 174.200 175.903 -1.703 19062
439 1 13 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.656 -0.256 19062
440 1 13 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.843 3.657 19062
441 1 13 . 1 1 7 7 LEU N N 7 127.500 127.500 124.012 3.488 19062
442 1 13 . 1 1 7 7 LEU C C 7 173.900 173.900 177.119 -3.219 19062
443 1 13 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.769 -0.669 19062
444 1 13 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.602 1.698 19062
445 1 13 . 1 1 8 8 SER N N 8 117.200 117.200 119.101 -1.901 19062
446 1 13 . 1 1 8 8 SER C C 8 173.600 173.600 172.601 0.999 19062
447 1 13 . 1 1 8 8 SER CA C 8 55.400 55.400 56.831 -1.431 19062
448 1 13 . 1 1 8 8 SER CB C 8 63.200 63.200 63.563 -0.363 19062
449 1 13 . 1 1 9 9 PRO C C 9 174.800 174.800 175.841 -1.041 19062
450 1 13 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.101 -0.501 19062
451 1 13 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062
452 1 13 . 1 1 10 10 TYR N N 10 127.300 127.300 120.367 6.933 19062
453 1 13 . 1 1 10 10 TYR C C 10 173.600 173.600 176.035 -2.435 19062
454 1 13 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.955 -0.255 19062
455 1 13 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.232 3.568 19062
456 1 14 . 1 1 2 2 THR N N 2 117.000 117.000 117.006 -0.006 19062
457 1 14 . 1 1 2 2 THR C C 2 173.500 173.500 173.661 -0.161 19062
458 1 14 . 1 1 2 2 THR CA C 2 62.600 62.600 61.985 0.615 19062
459 1 14 . 1 1 2 2 THR CB C 2 72.500 72.500 70.065 2.435 19062
460 1 14 . 1 1 3 3 ILE N N 3 127.000 127.000 123.957 3.043 19062
461 1 14 . 1 1 3 3 ILE C C 3 174.100 174.100 175.024 -0.924 19062
462 1 14 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.511 -1.311 19062
463 1 14 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062
464 1 14 . 1 1 4 4 ALA N N 4 128.000 128.000 129.765 -1.765 19062
465 1 14 . 1 1 4 4 ALA C C 4 174.500 174.500 176.119 -1.619 19062
466 1 14 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.046 -2.146 19062
467 1 14 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.232 1.868 19062
468 1 14 . 1 1 5 5 ALA N N 5 125.100 125.100 125.779 -0.679 19062
469 1 14 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062
470 1 14 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.032 -1.732 19062
471 1 14 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.271 2.629 19062
472 1 14 . 1 1 6 6 LEU N N 6 127.000 127.000 123.991 3.009 19062
473 1 14 . 1 1 6 6 LEU C C 6 174.200 174.200 175.724 -1.524 19062
474 1 14 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.752 -0.352 19062
475 1 14 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.467 3.033 19062
476 1 14 . 1 1 7 7 LEU N N 7 127.500 127.500 123.198 4.302 19062
477 1 14 . 1 1 7 7 LEU C C 7 173.900 173.900 176.804 -2.904 19062
478 1 14 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.767 -0.667 19062
479 1 14 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.315 1.985 19062
480 1 14 . 1 1 8 8 SER N N 8 117.200 117.200 118.583 -1.383 19062
481 1 14 . 1 1 8 8 SER C C 8 173.600 173.600 172.637 0.963 19062
482 1 14 . 1 1 8 8 SER CA C 8 55.400 55.400 56.886 -1.486 19062
483 1 14 . 1 1 8 8 SER CB C 8 63.200 63.200 63.315 -0.115 19062
484 1 14 . 1 1 9 9 PRO C C 9 174.800 174.800 175.733 -0.933 19062
485 1 14 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.175 -0.575 19062
486 1 14 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.139 0.460 19062
487 1 14 . 1 1 10 10 TYR N N 10 127.300 127.300 120.395 6.905 19062
488 1 14 . 1 1 10 10 TYR C C 10 173.600 173.600 175.893 -2.293 19062
489 1 14 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.975 -0.275 19062
490 1 14 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.266 3.534 19062
491 1 15 . 1 1 2 2 THR N N 2 117.000 117.000 117.006 -0.006 19062
492 1 15 . 1 1 2 2 THR C C 2 173.500 173.500 173.746 -0.246 19062
493 1 15 . 1 1 2 2 THR CA C 2 62.600 62.600 62.109 0.491 19062
494 1 15 . 1 1 2 2 THR CB C 2 72.500 72.500 70.020 2.480 19062
495 1 15 . 1 1 3 3 ILE N N 3 127.000 127.000 123.983 3.017 19062
496 1 15 . 1 1 3 3 ILE C C 3 174.100 174.100 175.041 -0.941 19062
497 1 15 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.585 -1.385 19062
498 1 15 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.030 1.770 19062
499 1 15 . 1 1 4 4 ALA N N 4 128.000 128.000 129.679 -1.679 19062
500 1 15 . 1 1 4 4 ALA C C 4 174.500 174.500 176.126 -1.626 19062
501 1 15 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.033 -2.134 19062
502 1 15 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.268 1.832 19062
503 1 15 . 1 1 5 5 ALA N N 5 125.100 125.100 125.655 -0.555 19062
504 1 15 . 1 1 5 5 ALA C C 5 173.300 173.300 176.230 -2.930 19062
505 1 15 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.026 -1.726 19062
506 1 15 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.264 2.636 19062
507 1 15 . 1 1 6 6 LEU N N 6 127.000 127.000 123.977 3.023 19062
508 1 15 . 1 1 6 6 LEU C C 6 174.200 174.200 175.721 -1.521 19062
509 1 15 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.780 -0.380 19062
510 1 15 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.465 3.035 19062
511 1 15 . 1 1 7 7 LEU N N 7 127.500 127.500 122.860 4.640 19062
512 1 15 . 1 1 7 7 LEU C C 7 173.900 173.900 176.938 -3.038 19062
513 1 15 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.782 -0.682 19062
514 1 15 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.495 1.806 19062
515 1 15 . 1 1 8 8 SER N N 8 117.200 117.200 119.607 -2.407 19062
516 1 15 . 1 1 8 8 SER C C 8 173.600 173.600 172.604 0.996 19062
517 1 15 . 1 1 8 8 SER CA C 8 55.400 55.400 57.040 -1.640 19062
518 1 15 . 1 1 8 8 SER CB C 8 63.200 63.200 63.630 -0.430 19062
519 1 15 . 1 1 9 9 PRO C C 9 174.800 174.800 175.808 -1.008 19062
520 1 15 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.212 -0.612 19062
521 1 15 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.195 0.405 19062
522 1 15 . 1 1 10 10 TYR N N 10 127.300 127.300 120.367 6.933 19062
523 1 15 . 1 1 10 10 TYR C C 10 173.600 173.600 175.902 -2.302 19062
524 1 15 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.972 -0.272 19062
525 1 15 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.287 3.513 19062
526 1 16 . 1 1 2 2 THR N N 2 117.000 117.000 117.611 -0.611 19062
527 1 16 . 1 1 2 2 THR C C 2 173.500 173.500 173.744 -0.244 19062
528 1 16 . 1 1 2 2 THR CA C 2 62.600 62.600 61.956 0.644 19062
529 1 16 . 1 1 2 2 THR CB C 2 72.500 72.500 70.097 2.403 19062
530 1 16 . 1 1 3 3 ILE N N 3 127.000 127.000 123.774 3.226 19062
531 1 16 . 1 1 3 3 ILE C C 3 174.100 174.100 174.975 -0.875 19062
532 1 16 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.648 -1.448 19062
533 1 16 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.947 1.853 19062
534 1 16 . 1 1 4 4 ALA N N 4 128.000 128.000 129.727 -1.727 19062
535 1 16 . 1 1 4 4 ALA C C 4 174.500 174.500 176.137 -1.637 19062
536 1 16 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.051 -2.151 19062
537 1 16 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.233 1.867 19062
538 1 16 . 1 1 5 5 ALA N N 5 125.100 125.100 125.715 -0.615 19062
539 1 16 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062
540 1 16 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.026 -1.726 19062
541 1 16 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.272 2.628 19062
542 1 16 . 1 1 6 6 LEU N N 6 127.000 127.000 123.966 3.034 19062
543 1 16 . 1 1 6 6 LEU C C 6 174.200 174.200 175.721 -1.521 19062
544 1 16 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.791 -0.391 19062
545 1 16 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.462 3.038 19062
546 1 16 . 1 1 7 7 LEU N N 7 127.500 127.500 124.090 3.410 19062
547 1 16 . 1 1 7 7 LEU C C 7 173.900 173.900 176.992 -3.092 19062
548 1 16 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.798 -0.698 19062
549 1 16 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.592 1.708 19062
550 1 16 . 1 1 8 8 SER N N 8 117.200 117.200 118.935 -1.735 19062
551 1 16 . 1 1 8 8 SER C C 8 173.600 173.600 172.619 0.981 19062
552 1 16 . 1 1 8 8 SER CA C 8 55.400 55.400 56.863 -1.463 19062
553 1 16 . 1 1 8 8 SER CB C 8 63.200 63.200 63.189 0.011 19062
554 1 16 . 1 1 9 9 PRO C C 9 174.800 174.800 175.846 -1.046 19062
555 1 16 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.118 -0.518 19062
556 1 16 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.201 0.399 19062
557 1 16 . 1 1 10 10 TYR N N 10 127.300 127.300 120.487 6.813 19062
558 1 16 . 1 1 10 10 TYR C C 10 173.600 173.600 175.850 -2.250 19062
559 1 16 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.964 -0.264 19062
560 1 16 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.256 3.544 19062
561 1 17 . 1 1 2 2 THR N N 2 117.000 117.000 117.608 -0.608 19062
562 1 17 . 1 1 2 2 THR C C 2 173.500 173.500 173.706 -0.206 19062
563 1 17 . 1 1 2 2 THR CA C 2 62.600 62.600 61.995 0.605 19062
564 1 17 . 1 1 2 2 THR CB C 2 72.500 72.500 70.127 2.373 19062
565 1 17 . 1 1 3 3 ILE N N 3 127.000 127.000 123.705 3.295 19062
566 1 17 . 1 1 3 3 ILE C C 3 174.100 174.100 174.943 -0.843 19062
567 1 17 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.654 -1.454 19062
568 1 17 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062
569 1 17 . 1 1 4 4 ALA N N 4 128.000 128.000 129.748 -1.748 19062
570 1 17 . 1 1 4 4 ALA C C 4 174.500 174.500 176.128 -1.628 19062
571 1 17 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.045 -2.145 19062
572 1 17 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.231 1.869 19062
573 1 17 . 1 1 5 5 ALA N N 5 125.100 125.100 125.760 -0.660 19062
574 1 17 . 1 1 5 5 ALA C C 5 173.300 173.300 176.231 -2.931 19062
575 1 17 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.039 -1.739 19062
576 1 17 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.265 2.635 19062
577 1 17 . 1 1 6 6 LEU N N 6 127.000 127.000 123.675 3.325 19062
578 1 17 . 1 1 6 6 LEU C C 6 174.200 174.200 175.902 -1.702 19062
579 1 17 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.653 -0.253 19062
580 1 17 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.883 3.616 19062
581 1 17 . 1 1 7 7 LEU N N 7 127.500 127.500 123.882 3.618 19062
582 1 17 . 1 1 7 7 LEU C C 7 173.900 173.900 177.099 -3.199 19062
583 1 17 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.772 -0.672 19062
584 1 17 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.650 1.650 19062
585 1 17 . 1 1 8 8 SER N N 8 117.200 117.200 119.098 -1.898 19062
586 1 17 . 1 1 8 8 SER C C 8 173.600 173.600 172.589 1.011 19062
587 1 17 . 1 1 8 8 SER CA C 8 55.400 55.400 56.735 -1.335 19062
588 1 17 . 1 1 8 8 SER CB C 8 63.200 63.200 63.518 -0.318 19062
589 1 17 . 1 1 9 9 PRO C C 9 174.800 174.800 175.839 -1.039 19062
590 1 17 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.088 -0.488 19062
591 1 17 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.231 0.369 19062
592 1 17 . 1 1 10 10 TYR N N 10 127.300 127.300 120.369 6.931 19062
593 1 17 . 1 1 10 10 TYR C C 10 173.600 173.600 175.993 -2.393 19062
594 1 17 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.973 -0.273 19062
595 1 17 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.209 3.591 19062
596 1 18 . 1 1 2 2 THR N N 2 117.000 117.000 117.624 -0.624 19062
597 1 18 . 1 1 2 2 THR C C 2 173.500 173.500 173.727 -0.227 19062
598 1 18 . 1 1 2 2 THR CA C 2 62.600 62.600 61.958 0.642 19062
599 1 18 . 1 1 2 2 THR CB C 2 72.500 72.500 70.112 2.388 19062
600 1 18 . 1 1 3 3 ILE N N 3 127.000 127.000 123.745 3.255 19062
601 1 18 . 1 1 3 3 ILE C C 3 174.100 174.100 174.963 -0.863 19062
602 1 18 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.634 -1.434 19062
603 1 18 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.945 1.855 19062
604 1 18 . 1 1 4 4 ALA N N 4 128.000 128.000 129.668 -1.668 19062
605 1 18 . 1 1 4 4 ALA C C 4 174.500 174.500 176.130 -1.630 19062
606 1 18 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.021 -2.121 19062
607 1 18 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.268 1.832 19062
608 1 18 . 1 1 5 5 ALA N N 5 125.100 125.100 125.661 -0.561 19062
609 1 18 . 1 1 5 5 ALA C C 5 173.300 173.300 176.228 -2.928 19062
610 1 18 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.040 -1.740 19062
611 1 18 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.258 2.642 19062
612 1 18 . 1 1 6 6 LEU N N 6 127.000 127.000 124.003 2.997 19062
613 1 18 . 1 1 6 6 LEU C C 6 174.200 174.200 175.732 -1.532 19062
614 1 18 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.782 -0.382 19062
615 1 18 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.480 3.020 19062
616 1 18 . 1 1 7 7 LEU N N 7 127.500 127.500 123.360 4.140 19062
617 1 18 . 1 1 7 7 LEU C C 7 173.900 173.900 177.049 -3.149 19062
618 1 18 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.786 -0.686 19062
619 1 18 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.593 1.706 19062
620 1 18 . 1 1 8 8 SER N N 8 117.200 117.200 119.465 -2.265 19062
621 1 18 . 1 1 8 8 SER C C 8 173.600 173.600 172.610 0.990 19062
622 1 18 . 1 1 8 8 SER CA C 8 55.400 55.400 57.391 -1.991 19062
623 1 18 . 1 1 8 8 SER CB C 8 63.200 63.200 63.726 -0.526 19062
624 1 18 . 1 1 9 9 PRO C C 9 174.800 174.800 175.845 -1.045 19062
625 1 18 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.217 -0.617 19062
626 1 18 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.167 0.433 19062
627 1 18 . 1 1 10 10 TYR N N 10 127.300 127.300 120.514 6.786 19062
628 1 18 . 1 1 10 10 TYR C C 10 173.600 173.600 175.900 -2.300 19062
629 1 18 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.985 -0.285 19062
630 1 18 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.264 3.536 19062
631 1 19 . 1 1 2 2 THR N N 2 117.000 117.000 116.959 0.041 19062
632 1 19 . 1 1 2 2 THR C C 2 173.500 173.500 173.732 -0.232 19062
633 1 19 . 1 1 2 2 THR CA C 2 62.600 62.600 62.122 0.478 19062
634 1 19 . 1 1 2 2 THR CB C 2 72.500 72.500 70.018 2.482 19062
635 1 19 . 1 1 3 3 ILE N N 3 127.000 127.000 123.926 3.074 19062
636 1 19 . 1 1 3 3 ILE C C 3 174.100 174.100 175.054 -0.954 19062
637 1 19 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.587 -1.387 19062
638 1 19 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.052 1.748 19062
639 1 19 . 1 1 4 4 ALA N N 4 128.000 128.000 129.717 -1.717 19062
640 1 19 . 1 1 4 4 ALA C C 4 174.500 174.500 176.140 -1.640 19062
641 1 19 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.043 -2.143 19062
642 1 19 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.225 1.875 19062
643 1 19 . 1 1 5 5 ALA N N 5 125.100 125.100 125.746 -0.646 19062
644 1 19 . 1 1 5 5 ALA C C 5 173.300 173.300 176.224 -2.924 19062
645 1 19 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.025 -1.725 19062
646 1 19 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.276 2.624 19062
647 1 19 . 1 1 6 6 LEU N N 6 127.000 127.000 123.647 3.353 19062
648 1 19 . 1 1 6 6 LEU C C 6 174.200 174.200 175.898 -1.698 19062
649 1 19 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.636 -0.236 19062
650 1 19 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.886 3.614 19062
651 1 19 . 1 1 7 7 LEU N N 7 127.500 127.500 123.985 3.515 19062
652 1 19 . 1 1 7 7 LEU C C 7 173.900 173.900 177.078 -3.178 19062
653 1 19 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.771 -0.671 19062
654 1 19 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.628 1.672 19062
655 1 19 . 1 1 8 8 SER N N 8 117.200 117.200 119.136 -1.936 19062
656 1 19 . 1 1 8 8 SER C C 8 173.600 173.600 172.600 1.000 19062
657 1 19 . 1 1 8 8 SER CA C 8 55.400 55.400 56.798 -1.398 19062
658 1 19 . 1 1 8 8 SER CB C 8 63.200 63.200 63.477 -0.277 19062
659 1 19 . 1 1 9 9 PRO C C 9 174.800 174.800 175.811 -1.011 19062
660 1 19 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.092 -0.492 19062
661 1 19 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062
662 1 19 . 1 1 10 10 TYR N N 10 127.300 127.300 120.216 7.084 19062
663 1 19 . 1 1 10 10 TYR C C 10 173.600 173.600 175.943 -2.343 19062
664 1 19 . 1 1 10 10 TYR CA C 10 57.700 57.700 58.005 -0.305 19062
665 1 19 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.270 3.530 19062
666 1 20 . 1 1 2 2 THR N N 2 117.000 117.000 117.025 -0.025 19062
667 1 20 . 1 1 2 2 THR C C 2 173.500 173.500 173.748 -0.248 19062
668 1 20 . 1 1 2 2 THR CA C 2 62.600 62.600 62.089 0.511 19062
669 1 20 . 1 1 2 2 THR CB C 2 72.500 72.500 70.008 2.492 19062
670 1 20 . 1 1 3 3 ILE N N 3 127.000 127.000 123.952 3.048 19062
671 1 20 . 1 1 3 3 ILE C C 3 174.100 174.100 175.039 -0.939 19062
672 1 20 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.603 -1.403 19062
673 1 20 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.057 1.743 19062
674 1 20 . 1 1 4 4 ALA N N 4 128.000 128.000 129.693 -1.693 19062
675 1 20 . 1 1 4 4 ALA C C 4 174.500 174.500 176.137 -1.637 19062
676 1 20 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.031 -2.131 19062
677 1 20 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.242 1.858 19062
678 1 20 . 1 1 5 5 ALA N N 5 125.100 125.100 125.710 -0.610 19062
679 1 20 . 1 1 5 5 ALA C C 5 173.300 173.300 176.226 -2.926 19062
680 1 20 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.038 -1.738 19062
681 1 20 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.267 2.633 19062
682 1 20 . 1 1 6 6 LEU N N 6 127.000 127.000 123.994 3.006 19062
683 1 20 . 1 1 6 6 LEU C C 6 174.200 174.200 175.729 -1.529 19062
684 1 20 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.767 -0.367 19062
685 1 20 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.467 3.033 19062
686 1 20 . 1 1 7 7 LEU N N 7 127.500 127.500 123.088 4.412 19062
687 1 20 . 1 1 7 7 LEU C C 7 173.900 173.900 176.775 -2.875 19062
688 1 20 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.762 -0.662 19062
689 1 20 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.301 1.999 19062
690 1 20 . 1 1 8 8 SER N N 8 117.200 117.200 118.386 -1.186 19062
691 1 20 . 1 1 8 8 SER C C 8 173.600 173.600 172.663 0.937 19062
692 1 20 . 1 1 8 8 SER CA C 8 55.400 55.400 56.820 -1.420 19062
693 1 20 . 1 1 8 8 SER CB C 8 63.200 63.200 63.346 -0.146 19062
694 1 20 . 1 1 9 9 PRO C C 9 174.800 174.800 175.778 -0.978 19062
695 1 20 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.170 -0.570 19062
696 1 20 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.155 0.445 19062
697 1 20 . 1 1 10 10 TYR N N 10 127.300 127.300 120.567 6.733 19062
698 1 20 . 1 1 10 10 TYR C C 10 173.600 173.600 175.812 -2.212 19062
699 1 20 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.945 -0.245 19062
700 1 20 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.239 3.561 19062
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 8 4.304 -2.067 4.036 19062
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19062
3 1 1 "Average Difference" C 9 1.911 1.461 1.307 19062
4 1 1 "Average Difference" CA 9 1.313 1.004 0.898 19062
5 1 1 "Average Difference" CB 9 2.085 -1.763 1.181 19062
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19062
7 1 2 "Average Difference" N 8 4.280 -2.100 3.987 19062
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19062
9 1 2 "Average Difference" C 9 1.905 1.445 1.317 19062
10 1 2 "Average Difference" CA 9 1.316 1.011 0.893 19062
11 1 2 "Average Difference" CB 9 2.086 -1.758 1.192 19062
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19062
13 1 3 "Average Difference" N 8 4.075 -2.024 3.781 19062
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19062
15 1 3 "Average Difference" C 9 1.879 1.449 1.269 19062
16 1 3 "Average Difference" CA 9 1.247 0.942 0.866 19062
17 1 3 "Average Difference" CB 9 2.074 -1.782 1.125 19062
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19062
19 1 4 "Average Difference" N 8 4.090 -1.963 3.836 19062
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19062
21 1 4 "Average Difference" C 9 1.892 1.444 1.296 19062
22 1 4 "Average Difference" CA 9 1.248 0.957 0.850 19062
23 1 4 "Average Difference" CB 9 2.067 -1.773 1.127 19062
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19062
25 1 5 "Average Difference" N 8 4.139 -2.179 3.762 19062
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19062
27 1 5 "Average Difference" C 9 1.876 1.448 1.265 19062
28 1 5 "Average Difference" CA 9 1.277 0.964 0.888 19062
29 1 5 "Average Difference" CB 9 2.094 -1.822 1.095 19062
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19062
31 1 6 "Average Difference" N 8 4.345 -2.179 4.019 19062
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19062
33 1 6 "Average Difference" C 9 1.916 1.455 1.322 19062
34 1 6 "Average Difference" CA 9 1.255 0.951 0.868 19062
35 1 6 "Average Difference" CB 9 2.128 -1.768 1.256 19062
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19062
37 1 7 "Average Difference" N 8 4.290 -2.132 3.979 19062
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19062
39 1 7 "Average Difference" C 9 1.949 1.493 1.328 19062
40 1 7 "Average Difference" CA 9 1.296 0.991 0.885 19062
41 1 7 "Average Difference" CB 9 2.170 -1.793 1.297 19062
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19062
43 1 8 "Average Difference" N 8 4.275 -2.154 3.947 19062
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19062
45 1 8 "Average Difference" C 9 1.874 1.416 1.301 19062
46 1 8 "Average Difference" CA 9 1.290 0.969 0.903 19062
47 1 8 "Average Difference" CB 9 2.131 -1.804 1.203 19062
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19062
49 1 9 "Average Difference" N 8 4.113 -2.098 3.782 19062
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19062
51 1 9 "Average Difference" C 9 1.912 1.477 1.289 19062
52 1 9 "Average Difference" CA 9 1.245 0.943 0.862 19062
53 1 9 "Average Difference" CB 9 2.134 -1.808 1.202 19062
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19062
55 1 10 "Average Difference" N 8 4.348 -2.109 4.065 19062
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19062
57 1 10 "Average Difference" C 9 1.925 1.474 1.313 19062
58 1 10 "Average Difference" CA 9 1.309 0.960 0.944 19062
59 1 10 "Average Difference" CB 9 2.118 -1.756 1.256 19062
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19062
61 1 11 "Average Difference" N 8 4.036 -1.648 3.938 19062
62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19062
63 1 11 "Average Difference" C 9 1.913 1.459 1.312 19062
64 1 11 "Average Difference" CA 9 1.272 0.935 0.914 19062
65 1 11 "Average Difference" CB 9 2.044 -1.795 1.037 19062
66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19062
67 1 12 "Average Difference" N 8 3.582 -1.643 3.403 19062
68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19062
69 1 12 "Average Difference" C 9 1.855 1.397 1.294 19062
70 1 12 "Average Difference" CA 9 1.234 0.924 0.867 19062
71 1 12 "Average Difference" CB 9 2.216 -1.871 1.259 19062
72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19062
73 1 13 "Average Difference" N 8 3.348 -1.519 3.190 19062
74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19062
75 1 13 "Average Difference" C 9 1.922 1.441 1.349 19062
76 1 13 "Average Difference" CA 9 1.186 0.873 0.852 19062
77 1 13 "Average Difference" CB 9 2.329 -1.966 1.325 19062
78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19062
79 1 14 "Average Difference" N 8 3.354 -1.678 3.104 19062
80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19062
81 1 14 "Average Difference" C 9 1.821 1.369 1.274 19062
82 1 14 "Average Difference" CA 9 1.197 0.881 0.859 19062
83 1 14 "Average Difference" CB 9 2.253 -1.967 1.166 19062
84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19062
85 1 15 "Average Difference" N 8 3.478 -1.621 3.289 19062
86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19062
87 1 15 "Average Difference" C 9 1.857 1.402 1.291 19062
88 1 15 "Average Difference" CA 9 1.222 0.927 0.845 19062
89 1 15 "Average Difference" CB 9 2.230 -1.894 1.248 19062
90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19062
91 1 16 "Average Difference" N 8 3.248 -1.474 3.094 19062
92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19062
93 1 16 "Average Difference" C 9 1.857 1.401 1.293 19062
94 1 16 "Average Difference" CA 9 1.213 0.890 0.873 19062
95 1 16 "Average Difference" CB 9 2.223 -1.939 1.153 19062
96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19062
97 1 17 "Average Difference" N 8 3.363 -1.532 3.201 19062
98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19062
99 1 17 "Average Difference" C 9 1.913 1.437 1.341 19062
100 1 17 "Average Difference" CA 9 1.189 0.862 0.868 19062
101 1 17 "Average Difference" CB 9 2.321 -1.962 1.316 19062
102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19062
103 1 18 "Average Difference" N 8 3.380 -1.507 3.234 19062
104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19062
105 1 18 "Average Difference" C 9 1.875 1.409 1.312 19062
106 1 18 "Average Difference" CA 9 1.293 0.957 0.921 19062
107 1 18 "Average Difference" CB 9 2.223 -1.876 1.265 19062
108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19062
109 1 19 "Average Difference" N 8 3.361 -1.596 3.162 19062
110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19062
111 1 19 "Average Difference" C 9 1.906 1.442 1.322 19062
112 1 19 "Average Difference" CA 9 1.179 0.875 0.838 19062
113 1 19 "Average Difference" CB 9 2.313 -1.960 1.303 19062
114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19062
115 1 20 "Average Difference" N 8 3.312 -1.711 3.032 19062
116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19062
117 1 20 "Average Difference" C 9 1.811 1.379 1.246 19062
118 1 20 "Average Difference" CA 9 1.191 0.892 0.837 19062
119 1 20 "Average Difference" CB 9 2.254 -1.957 1.185 19062
120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19062
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 19062
_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 THR N N 2 117.000 117.000 117.308 -0.307 19062
2 1 . 1 1 2 2 THR C C 2 173.500 173.500 173.715 -0.215 19062
3 1 . 1 1 2 2 THR CA C 2 62.600 62.600 62.022 0.578 19062
4 1 . 1 1 2 2 THR CB C 2 72.500 72.500 70.055 2.445 19062
5 1 . 1 1 3 3 ILE N N 3 127.000 127.000 123.891 3.109 19062
6 1 . 1 1 3 3 ILE C C 3 174.100 174.100 175.012 -0.912 19062
7 1 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.655 -1.455 19062
8 1 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.958 1.843 19062
9 1 . 1 1 4 4 ALA N N 4 128.000 128.000 129.941 -1.941 19062
10 1 . 1 1 4 4 ALA C C 4 174.500 174.500 176.167 -1.667 19062
11 1 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.105 -2.205 19062
12 1 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.138 1.962 19062
13 1 . 1 1 5 5 ALA N N 5 125.100 125.100 126.241 -1.141 19062
14 1 . 1 1 5 5 ALA C C 5 173.300 173.300 176.193 -2.893 19062
15 1 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.037 -1.737 19062
16 1 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.234 2.666 19062
17 1 . 1 1 6 6 LEU N N 6 127.000 127.000 122.134 4.866 19062
18 1 . 1 1 6 6 LEU C C 6 174.200 174.200 175.844 -1.644 19062
19 1 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.945 -0.545 19062
20 1 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.907 2.593 19062
21 1 . 1 1 7 7 LEU N N 7 127.500 127.500 122.547 4.953 19062
22 1 . 1 1 7 7 LEU C C 7 173.900 173.900 177.044 -3.144 19062
23 1 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.829 -0.729 19062
24 1 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.785 1.515 19062
25 1 . 1 1 8 8 SER N N 8 117.200 117.200 118.958 -1.758 19062
26 1 . 1 1 8 8 SER C C 8 173.600 173.600 172.658 0.942 19062
27 1 . 1 1 8 8 SER CA C 8 55.400 55.400 56.948 -1.548 19062
28 1 . 1 1 8 8 SER CB C 8 63.200 63.200 63.499 -0.299 19062
29 1 . 1 1 9 9 PRO C C 9 174.800 174.800 175.840 -1.040 19062
30 1 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.186 -0.587 19062
31 1 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.206 0.394 19062
32 1 . 1 1 10 10 TYR N N 10 127.300 127.300 120.306 6.994 19062
33 1 . 1 1 10 10 TYR C C 10 173.600 173.600 175.941 -2.341 19062
34 1 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.890 -0.190 19062
35 1 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.264 3.536 19062
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