data_18127
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18127
_Entry.PDB_ID 2LMN
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 18127
_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 10 10 TYR C C 10 175.000 175.000 175.777 -0.777 18127
2 1 1 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.263 0.037 18127
3 1 1 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.843 2.257 18127
4 1 1 . 1 1 12 12 VAL C C 12 174.600 174.600 175.679 -1.079 18127
5 1 1 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.963 -1.563 18127
6 1 1 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.247 2.053 18127
7 1 1 . 1 1 13 13 HIS C C 13 174.200 174.200 174.319 -0.119 18127
8 1 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.464 -1.264 18127
9 1 1 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.326 3.474 18127
10 1 1 . 1 1 14 14 HIS C C 14 174.200 174.200 173.714 0.486 18127
11 1 1 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.043 0.357 18127
12 1 1 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.966 1.133 18127
13 1 1 . 1 1 15 15 GLN N N 15 123.800 123.800 118.869 4.931 18127
14 1 1 . 1 1 15 15 GLN C C 15 173.600 173.600 174.432 -0.832 18127
15 1 1 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.994 0.006 18127
16 1 1 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.596 1.903 18127
17 1 1 . 1 1 16 16 LYS N N 16 126.400 126.400 121.369 5.031 18127
18 1 1 . 1 1 16 16 LYS C C 16 174.100 174.100 175.420 -1.320 18127
19 1 1 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.323 -1.623 18127
20 1 1 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.838 2.162 18127
21 1 1 . 1 1 17 17 LEU C C 17 174.600 174.600 176.383 -1.783 18127
22 1 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.300 0.200 18127
23 1 1 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.382 4.018 18127
24 1 1 . 1 1 18 18 VAL C C 18 172.800 172.800 174.953 -2.153 18127
25 1 1 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.810 -0.910 18127
26 1 1 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.080 2.520 18127
27 1 1 . 1 1 19 19 PHE C C 19 171.900 171.900 174.968 -3.068 18127
28 1 1 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.764 -1.264 18127
29 1 1 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.720 2.880 18127
30 1 1 . 1 1 20 20 PHE C C 20 172.200 172.200 174.235 -2.035 18127
31 1 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.981 -0.981 18127
32 1 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.263 2.637 18127
33 1 1 . 1 1 21 21 ALA C C 21 175.000 175.000 176.637 -1.637 18127
34 1 1 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.099 -2.000 18127
35 1 1 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.633 3.067 18127
36 1 1 . 1 1 22 22 GLU C C 22 174.900 174.900 174.641 0.259 18127
37 1 1 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.303 -2.403 18127
38 1 1 . 1 1 22 22 GLU CB C 22 34.100 34.100 30.598 3.502 18127
39 1 1 . 1 1 23 23 ASP N N 23 126.900 126.900 124.237 2.663 18127
40 1 1 . 1 1 23 23 ASP C C 23 174.200 174.200 175.392 -1.192 18127
41 1 1 . 1 1 23 23 ASP CA C 23 56.800 56.800 55.156 1.644 18127
42 1 1 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.462 -2.262 18127
43 1 1 . 1 1 24 24 VAL N N 24 121.200 121.200 125.599 -4.399 18127
44 1 1 . 1 1 24 24 VAL C C 24 174.500 174.500 176.501 -2.001 18127
45 1 1 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.575 -1.276 18127
46 1 1 . 1 1 24 24 VAL CB C 24 32.900 32.900 33.499 -0.599 18127
47 1 1 . 1 1 25 25 GLY N N 25 118.000 118.000 114.489 3.511 18127
48 1 1 . 1 1 25 25 GLY C C 25 171.300 171.300 174.342 -3.042 18127
49 1 1 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.081 0.918 18127
50 1 1 . 1 1 26 26 SER N N 26 112.600 112.600 118.579 -5.979 18127
51 1 1 . 1 1 26 26 SER C C 26 174.100 174.100 174.047 0.053 18127
52 1 1 . 1 1 26 26 SER CA C 26 56.400 56.400 57.713 -1.313 18127
53 1 1 . 1 1 26 26 SER CB C 26 65.700 65.700 64.710 0.990 18127
54 1 1 . 1 1 27 27 ASN N N 27 124.000 124.000 119.620 4.380 18127
55 1 1 . 1 1 27 27 ASN C C 27 174.300 174.300 176.144 -1.844 18127
56 1 1 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.137 0.163 18127
57 1 1 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.953 1.447 18127
58 1 1 . 1 1 28 28 LYS N N 28 124.000 124.000 120.246 3.754 18127
59 1 1 . 1 1 28 28 LYS C C 28 173.600 173.600 177.958 -4.358 18127
60 1 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.474 -1.974 18127
61 1 1 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.385 2.615 18127
62 1 1 . 1 1 29 29 GLY N N 29 107.500 107.500 108.656 -1.156 18127
63 1 1 . 1 1 29 29 GLY C C 29 171.400 171.400 173.305 -1.905 18127
64 1 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.462 -0.462 18127
65 1 1 . 1 1 30 30 ALA N N 30 127.800 127.800 125.512 2.288 18127
66 1 1 . 1 1 30 30 ALA C C 30 174.800 174.800 176.443 -1.643 18127
67 1 1 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.241 -1.341 18127
68 1 1 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.526 2.174 18127
69 1 1 . 1 1 31 31 ILE N N 31 117.900 117.900 118.433 -0.533 18127
70 1 1 . 1 1 31 31 ILE C C 31 174.100 174.100 174.803 -0.703 18127
71 1 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.842 -0.042 18127
72 1 1 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.425 0.775 18127
73 1 1 . 1 1 32 32 ILE C C 32 174.800 174.800 175.915 -1.115 18127
74 1 1 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.139 -2.939 18127
75 1 1 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.485 2.915 18127
76 1 1 . 1 1 33 33 GLY N N 33 110.800 110.800 114.309 -3.509 18127
77 1 1 . 1 1 33 33 GLY C C 33 171.600 171.600 173.521 -1.921 18127
78 1 1 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.146 3.654 18127
79 1 1 . 1 1 34 34 LEU C C 34 173.500 173.500 176.134 -2.634 18127
80 1 1 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.507 -0.707 18127
81 1 1 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.078 1.822 18127
82 1 1 . 1 1 35 35 MET N N 35 122.100 122.100 122.979 -0.879 18127
83 1 1 . 1 1 35 35 MET C C 35 173.300 173.300 174.793 -1.493 18127
84 1 1 . 1 1 35 35 MET CA C 35 54.400 54.400 55.200 -0.800 18127
85 1 1 . 1 1 35 35 MET CB C 35 37.100 37.100 33.811 3.289 18127
86 1 1 . 1 1 36 36 VAL N N 36 124.300 124.300 124.989 -0.689 18127
87 1 1 . 1 1 36 36 VAL C C 36 175.200 175.200 175.718 -0.518 18127
88 1 1 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.038 -2.338 18127
89 1 1 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.982 3.918 18127
90 1 1 . 1 1 37 37 GLY N N 37 116.500 116.500 112.091 4.409 18127
91 1 1 . 1 1 37 37 GLY C C 37 171.000 171.000 174.006 -3.006 18127
92 1 1 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.412 -0.512 18127
93 1 1 . 1 1 38 38 GLY N N 38 104.200 104.200 110.417 -6.217 18127
94 1 1 . 1 1 38 38 GLY C C 38 170.400 170.400 172.825 -2.425 18127
95 1 1 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.052 -0.252 18127
96 1 1 . 1 1 39 39 VAL N N 39 114.700 114.700 118.359 -3.659 18127
97 1 1 . 1 1 39 39 VAL C C 39 173.200 173.200 175.720 -2.520 18127
98 1 1 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.849 0.251 18127
99 1 1 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.243 0.957 18127
100 1 2 . 1 1 10 10 TYR C C 10 175.000 175.000 175.000 0.000 18127
101 1 2 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.103 0.197 18127
102 1 2 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.750 2.350 18127
103 1 2 . 1 1 12 12 VAL C C 12 174.600 174.600 175.596 -0.996 18127
104 1 2 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.961 -1.561 18127
105 1 2 . 1 1 12 12 VAL CB C 12 35.300 35.300 32.962 2.338 18127
106 1 2 . 1 1 13 13 HIS C C 13 174.200 174.200 173.850 0.350 18127
107 1 2 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.225 -1.025 18127
108 1 2 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.668 4.132 18127
109 1 2 . 1 1 14 14 HIS C C 14 174.200 174.200 173.870 0.330 18127
110 1 2 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.077 0.323 18127
111 1 2 . 1 1 14 14 HIS CB C 14 33.100 33.100 32.415 0.685 18127
112 1 2 . 1 1 15 15 GLN N N 15 123.800 123.800 119.257 4.543 18127
113 1 2 . 1 1 15 15 GLN C C 15 173.600 173.600 174.014 -0.414 18127
114 1 2 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.241 -0.241 18127
115 1 2 . 1 1 15 15 GLN CB C 15 33.500 33.500 30.632 2.868 18127
116 1 2 . 1 1 16 16 LYS N N 16 126.400 126.400 121.084 5.316 18127
117 1 2 . 1 1 16 16 LYS C C 16 174.100 174.100 174.993 -0.893 18127
118 1 2 . 1 1 16 16 LYS CA C 16 54.700 54.700 55.906 -1.206 18127
119 1 2 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.769 2.231 18127
120 1 2 . 1 1 17 17 LEU C C 17 174.600 174.600 175.781 -1.181 18127
121 1 2 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.826 -0.326 18127
122 1 2 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.085 3.315 18127
123 1 2 . 1 1 18 18 VAL C C 18 172.800 172.800 175.189 -2.389 18127
124 1 2 . 1 1 18 18 VAL CA C 18 60.900 60.900 62.199 -1.299 18127
125 1 2 . 1 1 18 18 VAL CB C 18 35.600 35.600 34.013 1.587 18127
126 1 2 . 1 1 19 19 PHE C C 19 171.900 171.900 175.259 -3.359 18127
127 1 2 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.658 -1.158 18127
128 1 2 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.906 2.695 18127
129 1 2 . 1 1 20 20 PHE C C 20 172.200 172.200 173.743 -1.543 18127
130 1 2 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.011 -1.011 18127
131 1 2 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.451 2.449 18127
132 1 2 . 1 1 21 21 ALA C C 21 175.000 175.000 176.657 -1.657 18127
133 1 2 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.257 -2.157 18127
134 1 2 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.022 2.678 18127
135 1 2 . 1 1 22 22 GLU C C 22 174.900 174.900 174.674 0.226 18127
136 1 2 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.654 -1.754 18127
137 1 2 . 1 1 22 22 GLU CB C 22 34.100 34.100 32.009 2.091 18127
138 1 2 . 1 1 23 23 ASP N N 23 126.900 126.900 121.664 5.236 18127
139 1 2 . 1 1 23 23 ASP C C 23 174.200 174.200 175.855 -1.655 18127
140 1 2 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.424 2.376 18127
141 1 2 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.055 -1.855 18127
142 1 2 . 1 1 24 24 VAL N N 24 121.200 121.200 125.306 -4.106 18127
143 1 2 . 1 1 24 24 VAL C C 24 174.500 174.500 175.933 -1.433 18127
144 1 2 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.613 -1.313 18127
145 1 2 . 1 1 24 24 VAL CB C 24 32.900 32.900 34.030 -1.130 18127
146 1 2 . 1 1 25 25 GLY N N 25 118.000 118.000 115.831 2.169 18127
147 1 2 . 1 1 25 25 GLY C C 25 171.300 171.300 174.567 -3.267 18127
148 1 2 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.156 0.844 18127
149 1 2 . 1 1 26 26 SER N N 26 112.600 112.600 117.578 -4.978 18127
150 1 2 . 1 1 26 26 SER C C 26 174.100 174.100 174.925 -0.825 18127
151 1 2 . 1 1 26 26 SER CA C 26 56.400 56.400 56.708 -0.308 18127
152 1 2 . 1 1 26 26 SER CB C 26 65.700 65.700 65.299 0.401 18127
153 1 2 . 1 1 27 27 ASN N N 27 124.000 124.000 118.528 5.472 18127
154 1 2 . 1 1 27 27 ASN C C 27 174.300 174.300 174.689 -0.389 18127
155 1 2 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.245 0.055 18127
156 1 2 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.669 1.731 18127
157 1 2 . 1 1 28 28 LYS N N 28 124.000 124.000 120.216 3.784 18127
158 1 2 . 1 1 28 28 LYS C C 28 173.600 173.600 177.080 -3.480 18127
159 1 2 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.242 -1.742 18127
160 1 2 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.581 3.419 18127
161 1 2 . 1 1 29 29 GLY N N 29 107.500 107.500 111.195 -3.695 18127
162 1 2 . 1 1 29 29 GLY C C 29 171.400 171.400 173.222 -1.822 18127
163 1 2 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.025 -1.025 18127
164 1 2 . 1 1 30 30 ALA N N 30 127.800 127.800 125.933 1.867 18127
165 1 2 . 1 1 30 30 ALA C C 30 174.800 174.800 176.849 -2.049 18127
166 1 2 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.251 -1.351 18127
167 1 2 . 1 1 30 30 ALA CB C 30 22.700 22.700 21.096 1.604 18127
168 1 2 . 1 1 31 31 ILE N N 31 117.900 117.900 118.283 -0.383 18127
169 1 2 . 1 1 31 31 ILE C C 31 174.100 174.100 174.620 -0.520 18127
170 1 2 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.768 0.032 18127
171 1 2 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.575 1.625 18127
172 1 2 . 1 1 32 32 ILE C C 32 174.800 174.800 175.925 -1.125 18127
173 1 2 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.411 -3.211 18127
174 1 2 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.556 2.844 18127
175 1 2 . 1 1 33 33 GLY N N 33 110.800 110.800 114.537 -3.737 18127
176 1 2 . 1 1 33 33 GLY C C 33 171.600 171.600 173.643 -2.043 18127
177 1 2 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.077 3.723 18127
178 1 2 . 1 1 34 34 LEU C C 34 173.500 173.500 176.352 -2.852 18127
179 1 2 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.383 -0.583 18127
180 1 2 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.324 2.576 18127
181 1 2 . 1 1 35 35 MET N N 35 122.100 122.100 124.591 -2.491 18127
182 1 2 . 1 1 35 35 MET C C 35 173.300 173.300 175.389 -2.089 18127
183 1 2 . 1 1 35 35 MET CA C 35 54.400 54.400 55.186 -0.786 18127
184 1 2 . 1 1 35 35 MET CB C 35 37.100 37.100 33.675 3.425 18127
185 1 2 . 1 1 36 36 VAL N N 36 124.300 124.300 127.505 -3.205 18127
186 1 2 . 1 1 36 36 VAL C C 36 175.200 175.200 175.899 -0.699 18127
187 1 2 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.914 -2.214 18127
188 1 2 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.926 3.974 18127
189 1 2 . 1 1 37 37 GLY N N 37 116.500 116.500 113.177 3.323 18127
190 1 2 . 1 1 37 37 GLY C C 37 171.000 171.000 174.149 -3.149 18127
191 1 2 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.162 -0.262 18127
192 1 2 . 1 1 38 38 GLY N N 38 104.200 104.200 110.888 -6.688 18127
193 1 2 . 1 1 38 38 GLY C C 38 170.400 170.400 172.805 -2.405 18127
194 1 2 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.179 -0.379 18127
195 1 2 . 1 1 39 39 VAL N N 39 114.700 114.700 119.534 -4.834 18127
196 1 2 . 1 1 39 39 VAL C C 39 173.200 173.200 176.028 -2.828 18127
197 1 2 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.923 0.177 18127
198 1 2 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.925 1.275 18127
199 1 3 . 1 1 10 10 TYR C C 10 175.000 175.000 175.858 -0.858 18127
200 1 3 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.642 -0.343 18127
201 1 3 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.483 2.617 18127
202 1 3 . 1 1 12 12 VAL C C 12 174.600 174.600 175.425 -0.825 18127
203 1 3 . 1 1 12 12 VAL CA C 12 60.400 60.400 62.084 -1.684 18127
204 1 3 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.150 2.150 18127
205 1 3 . 1 1 13 13 HIS C C 13 174.200 174.200 173.711 0.489 18127
206 1 3 . 1 1 13 13 HIS CA C 13 54.200 54.200 54.823 -0.623 18127
207 1 3 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.917 2.883 18127
208 1 3 . 1 1 14 14 HIS C C 14 174.200 174.200 174.175 0.025 18127
209 1 3 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.127 -0.727 18127
210 1 3 . 1 1 14 14 HIS CB C 14 33.100 33.100 30.960 2.140 18127
211 1 3 . 1 1 15 15 GLN N N 15 123.800 123.800 121.233 2.567 18127
212 1 3 . 1 1 15 15 GLN C C 15 173.600 173.600 173.289 0.311 18127
213 1 3 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.298 0.702 18127
214 1 3 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.162 2.338 18127
215 1 3 . 1 1 16 16 LYS N N 16 126.400 126.400 119.938 6.462 18127
216 1 3 . 1 1 16 16 LYS C C 16 174.100 174.100 175.461 -1.361 18127
217 1 3 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.097 -1.397 18127
218 1 3 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.756 2.244 18127
219 1 3 . 1 1 17 17 LEU C C 17 174.600 174.600 176.089 -1.489 18127
220 1 3 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.273 0.227 18127
221 1 3 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.885 3.515 18127
222 1 3 . 1 1 18 18 VAL C C 18 172.800 172.800 174.820 -2.020 18127
223 1 3 . 1 1 18 18 VAL CA C 18 60.900 60.900 62.006 -1.106 18127
224 1 3 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.790 1.810 18127
225 1 3 . 1 1 19 19 PHE C C 19 171.900 171.900 174.448 -2.548 18127
226 1 3 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.327 -0.827 18127
227 1 3 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.419 3.181 18127
228 1 3 . 1 1 20 20 PHE C C 20 172.200 172.200 174.209 -2.009 18127
229 1 3 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.087 -1.087 18127
230 1 3 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.406 2.494 18127
231 1 3 . 1 1 21 21 ALA C C 21 175.000 175.000 176.524 -1.524 18127
232 1 3 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.116 -2.016 18127
233 1 3 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.338 3.361 18127
234 1 3 . 1 1 22 22 GLU C C 22 174.900 174.900 174.497 0.403 18127
235 1 3 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.500 -2.600 18127
236 1 3 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.165 2.935 18127
237 1 3 . 1 1 23 23 ASP N N 23 126.900 126.900 123.944 2.956 18127
238 1 3 . 1 1 23 23 ASP C C 23 174.200 174.200 175.892 -1.692 18127
239 1 3 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.794 2.006 18127
240 1 3 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.074 -1.873 18127
241 1 3 . 1 1 24 24 VAL N N 24 121.200 121.200 121.822 -0.622 18127
242 1 3 . 1 1 24 24 VAL C C 24 174.500 174.500 176.693 -2.193 18127
243 1 3 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.722 -1.422 18127
244 1 3 . 1 1 24 24 VAL CB C 24 32.900 32.900 33.530 -0.630 18127
245 1 3 . 1 1 25 25 GLY N N 25 118.000 118.000 116.299 1.701 18127
246 1 3 . 1 1 25 25 GLY C C 25 171.300 171.300 174.091 -2.791 18127
247 1 3 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.883 1.117 18127
248 1 3 . 1 1 26 26 SER N N 26 112.600 112.600 119.098 -6.498 18127
249 1 3 . 1 1 26 26 SER C C 26 174.100 174.100 174.779 -0.679 18127
250 1 3 . 1 1 26 26 SER CA C 26 56.400 56.400 57.390 -0.990 18127
251 1 3 . 1 1 26 26 SER CB C 26 65.700 65.700 65.413 0.287 18127
252 1 3 . 1 1 27 27 ASN N N 27 124.000 124.000 119.151 4.849 18127
253 1 3 . 1 1 27 27 ASN C C 27 174.300 174.300 175.015 -0.715 18127
254 1 3 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.150 0.150 18127
255 1 3 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.869 1.531 18127
256 1 3 . 1 1 28 28 LYS N N 28 124.000 124.000 120.963 3.037 18127
257 1 3 . 1 1 28 28 LYS C C 28 173.600 173.600 177.148 -3.548 18127
258 1 3 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.323 -1.823 18127
259 1 3 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.749 3.251 18127
260 1 3 . 1 1 29 29 GLY N N 29 107.500 107.500 111.214 -3.714 18127
261 1 3 . 1 1 29 29 GLY C C 29 171.400 171.400 173.403 -2.003 18127
262 1 3 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.012 -1.012 18127
263 1 3 . 1 1 30 30 ALA N N 30 127.800 127.800 125.161 2.639 18127
264 1 3 . 1 1 30 30 ALA C C 30 174.800 174.800 176.768 -1.968 18127
265 1 3 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.467 -1.567 18127
266 1 3 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.731 1.969 18127
267 1 3 . 1 1 31 31 ILE N N 31 117.900 117.900 117.919 -0.019 18127
268 1 3 . 1 1 31 31 ILE C C 31 174.100 174.100 174.877 -0.777 18127
269 1 3 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.089 -0.289 18127
270 1 3 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.738 1.462 18127
271 1 3 . 1 1 32 32 ILE C C 32 174.800 174.800 176.198 -1.398 18127
272 1 3 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.293 -3.093 18127
273 1 3 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.669 2.731 18127
274 1 3 . 1 1 33 33 GLY N N 33 110.800 110.800 114.908 -4.108 18127
275 1 3 . 1 1 33 33 GLY C C 33 171.600 171.600 173.510 -1.910 18127
276 1 3 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.847 3.953 18127
277 1 3 . 1 1 34 34 LEU C C 34 173.500 173.500 176.132 -2.632 18127
278 1 3 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.952 -1.152 18127
279 1 3 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.999 1.901 18127
280 1 3 . 1 1 35 35 MET N N 35 122.100 122.100 124.523 -2.423 18127
281 1 3 . 1 1 35 35 MET C C 35 173.300 173.300 175.557 -2.257 18127
282 1 3 . 1 1 35 35 MET CA C 35 54.400 54.400 55.342 -0.942 18127
283 1 3 . 1 1 35 35 MET CB C 35 37.100 37.100 33.956 3.144 18127
284 1 3 . 1 1 36 36 VAL N N 36 124.300 124.300 125.893 -1.593 18127
285 1 3 . 1 1 36 36 VAL C C 36 175.200 175.200 175.528 -0.328 18127
286 1 3 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.888 -2.188 18127
287 1 3 . 1 1 36 36 VAL CB C 36 34.900 34.900 31.172 3.728 18127
288 1 3 . 1 1 37 37 GLY N N 37 116.500 116.500 112.369 4.131 18127
289 1 3 . 1 1 37 37 GLY C C 37 171.000 171.000 174.055 -3.055 18127
290 1 3 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.363 -0.463 18127
291 1 3 . 1 1 38 38 GLY N N 38 104.200 104.200 110.039 -5.839 18127
292 1 3 . 1 1 38 38 GLY C C 38 170.400 170.400 173.002 -2.602 18127
293 1 3 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.092 -0.292 18127
294 1 3 . 1 1 39 39 VAL N N 39 114.700 114.700 118.122 -3.422 18127
295 1 3 . 1 1 39 39 VAL C C 39 173.200 173.200 174.925 -1.725 18127
296 1 3 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.162 -0.062 18127
297 1 3 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.495 0.705 18127
298 1 4 . 1 1 10 10 TYR C C 10 175.000 175.000 175.490 -0.490 18127
299 1 4 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.348 -0.048 18127
300 1 4 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.498 2.602 18127
301 1 4 . 1 1 12 12 VAL C C 12 174.600 174.600 174.415 0.185 18127
302 1 4 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.159 -0.759 18127
303 1 4 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.808 1.492 18127
304 1 4 . 1 1 13 13 HIS C C 13 174.200 174.200 174.219 -0.019 18127
305 1 4 . 1 1 13 13 HIS CA C 13 54.200 54.200 56.312 -2.112 18127
306 1 4 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.274 4.526 18127
307 1 4 . 1 1 14 14 HIS C C 14 174.200 174.200 174.118 0.082 18127
308 1 4 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.232 0.168 18127
309 1 4 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.472 1.628 18127
310 1 4 . 1 1 15 15 GLN N N 15 123.800 123.800 119.195 4.605 18127
311 1 4 . 1 1 15 15 GLN C C 15 173.600 173.600 174.549 -0.949 18127
312 1 4 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.039 -0.040 18127
313 1 4 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.430 2.070 18127
314 1 4 . 1 1 16 16 LYS N N 16 126.400 126.400 121.372 5.028 18127
315 1 4 . 1 1 16 16 LYS C C 16 174.100 174.100 175.267 -1.167 18127
316 1 4 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.731 -2.031 18127
317 1 4 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.441 2.559 18127
318 1 4 . 1 1 17 17 LEU C C 17 174.600 174.600 176.194 -1.594 18127
319 1 4 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.774 -0.274 18127
320 1 4 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.715 2.684 18127
321 1 4 . 1 1 18 18 VAL C C 18 172.800 172.800 175.113 -2.313 18127
322 1 4 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.770 -0.870 18127
323 1 4 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.347 2.253 18127
324 1 4 . 1 1 19 19 PHE C C 19 171.900 171.900 174.770 -2.870 18127
325 1 4 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.696 -1.196 18127
326 1 4 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.622 1.978 18127
327 1 4 . 1 1 20 20 PHE C C 20 172.200 172.200 173.816 -1.616 18127
328 1 4 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.164 -1.165 18127
329 1 4 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.578 2.322 18127
330 1 4 . 1 1 21 21 ALA C C 21 175.000 175.000 176.773 -1.773 18127
331 1 4 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.895 -1.795 18127
332 1 4 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.821 2.879 18127
333 1 4 . 1 1 22 22 GLU C C 22 174.900 174.900 174.486 0.414 18127
334 1 4 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.020 -2.120 18127
335 1 4 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.763 2.337 18127
336 1 4 . 1 1 23 23 ASP N N 23 126.900 126.900 124.406 2.494 18127
337 1 4 . 1 1 23 23 ASP C C 23 174.200 174.200 176.422 -2.222 18127
338 1 4 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.416 2.384 18127
339 1 4 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.152 -1.952 18127
340 1 4 . 1 1 24 24 VAL N N 24 121.200 121.200 119.281 1.919 18127
341 1 4 . 1 1 24 24 VAL C C 24 174.500 174.500 176.654 -2.154 18127
342 1 4 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.493 -1.194 18127
343 1 4 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.327 0.573 18127
344 1 4 . 1 1 25 25 GLY N N 25 118.000 118.000 115.181 2.819 18127
345 1 4 . 1 1 25 25 GLY C C 25 171.300 171.300 174.319 -3.019 18127
346 1 4 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.587 1.413 18127
347 1 4 . 1 1 26 26 SER N N 26 112.600 112.600 119.742 -7.142 18127
348 1 4 . 1 1 26 26 SER C C 26 174.100 174.100 174.661 -0.561 18127
349 1 4 . 1 1 26 26 SER CA C 26 56.400 56.400 57.183 -0.783 18127
350 1 4 . 1 1 26 26 SER CB C 26 65.700 65.700 64.473 1.227 18127
351 1 4 . 1 1 27 27 ASN N N 27 124.000 124.000 118.500 5.500 18127
352 1 4 . 1 1 27 27 ASN C C 27 174.300 174.300 175.017 -0.717 18127
353 1 4 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.572 -0.272 18127
354 1 4 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.839 1.561 18127
355 1 4 . 1 1 28 28 LYS N N 28 124.000 124.000 121.126 2.874 18127
356 1 4 . 1 1 28 28 LYS C C 28 173.600 173.600 177.194 -3.594 18127
357 1 4 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.356 -1.856 18127
358 1 4 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.933 3.067 18127
359 1 4 . 1 1 29 29 GLY N N 29 107.500 107.500 112.273 -4.773 18127
360 1 4 . 1 1 29 29 GLY C C 29 171.400 171.400 173.173 -1.773 18127
361 1 4 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.977 -0.977 18127
362 1 4 . 1 1 30 30 ALA N N 30 127.800 127.800 125.095 2.705 18127
363 1 4 . 1 1 30 30 ALA C C 30 174.800 174.800 176.654 -1.854 18127
364 1 4 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.439 -1.539 18127
365 1 4 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.853 1.847 18127
366 1 4 . 1 1 31 31 ILE N N 31 117.900 117.900 118.649 -0.749 18127
367 1 4 . 1 1 31 31 ILE C C 31 174.100 174.100 174.972 -0.872 18127
368 1 4 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.224 -0.424 18127
369 1 4 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.549 1.651 18127
370 1 4 . 1 1 32 32 ILE C C 32 174.800 174.800 176.016 -1.216 18127
371 1 4 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.381 -3.181 18127
372 1 4 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.682 2.717 18127
373 1 4 . 1 1 33 33 GLY N N 33 110.800 110.800 114.588 -3.788 18127
374 1 4 . 1 1 33 33 GLY C C 33 171.600 171.600 173.514 -1.914 18127
375 1 4 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.174 3.626 18127
376 1 4 . 1 1 34 34 LEU C C 34 173.500 173.500 176.088 -2.588 18127
377 1 4 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.596 -0.796 18127
378 1 4 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.258 1.641 18127
379 1 4 . 1 1 35 35 MET N N 35 122.100 122.100 121.930 0.170 18127
380 1 4 . 1 1 35 35 MET C C 35 173.300 173.300 174.532 -1.232 18127
381 1 4 . 1 1 35 35 MET CA C 35 54.400 54.400 55.497 -1.097 18127
382 1 4 . 1 1 35 35 MET CB C 35 37.100 37.100 34.494 2.606 18127
383 1 4 . 1 1 36 36 VAL N N 36 124.300 124.300 125.899 -1.599 18127
384 1 4 . 1 1 36 36 VAL C C 36 175.200 175.200 175.096 0.104 18127
385 1 4 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.989 -2.289 18127
386 1 4 . 1 1 36 36 VAL CB C 36 34.900 34.900 33.502 1.398 18127
387 1 4 . 1 1 37 37 GLY N N 37 116.500 116.500 112.704 3.796 18127
388 1 4 . 1 1 37 37 GLY C C 37 171.000 171.000 174.511 -3.511 18127
389 1 4 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.397 -0.497 18127
390 1 4 . 1 1 38 38 GLY N N 38 104.200 104.200 112.219 -8.019 18127
391 1 4 . 1 1 38 38 GLY C C 38 170.400 170.400 173.182 -2.782 18127
392 1 4 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.393 0.407 18127
393 1 4 . 1 1 39 39 VAL N N 39 114.700 114.700 120.066 -5.366 18127
394 1 4 . 1 1 39 39 VAL C C 39 173.200 173.200 175.068 -1.868 18127
395 1 4 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.673 -0.574 18127
396 1 4 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.614 0.586 18127
397 1 5 . 1 1 10 10 TYR C C 10 175.000 175.000 176.228 -1.228 18127
398 1 5 . 1 1 10 10 TYR CA C 10 57.300 57.300 56.993 0.306 18127
399 1 5 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.294 2.806 18127
400 1 5 . 1 1 12 12 VAL C C 12 174.600 174.600 174.380 0.220 18127
401 1 5 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.464 -1.064 18127
402 1 5 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.252 2.048 18127
403 1 5 . 1 1 13 13 HIS C C 13 174.200 174.200 173.826 0.374 18127
404 1 5 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.298 -1.098 18127
405 1 5 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.776 3.024 18127
406 1 5 . 1 1 14 14 HIS C C 14 174.200 174.200 174.421 -0.221 18127
407 1 5 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.410 -0.010 18127
408 1 5 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.554 1.546 18127
409 1 5 . 1 1 15 15 GLN N N 15 123.800 123.800 119.629 4.171 18127
410 1 5 . 1 1 15 15 GLN C C 15 173.600 173.600 175.156 -1.556 18127
411 1 5 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.103 -0.103 18127
412 1 5 . 1 1 15 15 GLN CB C 15 33.500 33.500 30.183 3.317 18127
413 1 5 . 1 1 16 16 LYS N N 16 126.400 126.400 121.068 5.332 18127
414 1 5 . 1 1 16 16 LYS C C 16 174.100 174.100 175.571 -1.471 18127
415 1 5 . 1 1 16 16 LYS CA C 16 54.700 54.700 55.764 -1.064 18127
416 1 5 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.269 2.731 18127
417 1 5 . 1 1 17 17 LEU C C 17 174.600 174.600 175.754 -1.154 18127
418 1 5 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.439 0.061 18127
419 1 5 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.010 3.390 18127
420 1 5 . 1 1 18 18 VAL C C 18 172.800 172.800 174.905 -2.105 18127
421 1 5 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.786 -0.886 18127
422 1 5 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.122 2.478 18127
423 1 5 . 1 1 19 19 PHE C C 19 171.900 171.900 175.188 -3.288 18127
424 1 5 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.792 -1.292 18127
425 1 5 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.858 2.742 18127
426 1 5 . 1 1 20 20 PHE C C 20 172.200 172.200 174.147 -1.947 18127
427 1 5 . 1 1 20 20 PHE CA C 20 56.000 56.000 58.010 -2.010 18127
428 1 5 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.871 2.029 18127
429 1 5 . 1 1 21 21 ALA C C 21 175.000 175.000 175.788 -0.788 18127
430 1 5 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.696 -1.596 18127
431 1 5 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.761 2.939 18127
432 1 5 . 1 1 22 22 GLU C C 22 174.900 174.900 174.421 0.479 18127
433 1 5 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.853 -1.953 18127
434 1 5 . 1 1 22 22 GLU CB C 22 34.100 34.100 32.498 1.602 18127
435 1 5 . 1 1 23 23 ASP N N 23 126.900 126.900 123.294 3.606 18127
436 1 5 . 1 1 23 23 ASP C C 23 174.200 174.200 175.651 -1.451 18127
437 1 5 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.999 2.801 18127
438 1 5 . 1 1 23 23 ASP CB C 23 39.200 39.200 40.603 -1.403 18127
439 1 5 . 1 1 24 24 VAL N N 24 121.200 121.200 124.407 -3.207 18127
440 1 5 . 1 1 24 24 VAL C C 24 174.500 174.500 175.901 -1.401 18127
441 1 5 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.232 -0.932 18127
442 1 5 . 1 1 24 24 VAL CB C 24 32.900 32.900 34.175 -1.275 18127
443 1 5 . 1 1 25 25 GLY N N 25 118.000 118.000 113.862 4.138 18127
444 1 5 . 1 1 25 25 GLY C C 25 171.300 171.300 174.317 -3.017 18127
445 1 5 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.142 0.858 18127
446 1 5 . 1 1 26 26 SER N N 26 112.600 112.600 118.261 -5.661 18127
447 1 5 . 1 1 26 26 SER C C 26 174.100 174.100 174.757 -0.657 18127
448 1 5 . 1 1 26 26 SER CA C 26 56.400 56.400 57.099 -0.699 18127
449 1 5 . 1 1 26 26 SER CB C 26 65.700 65.700 64.936 0.764 18127
450 1 5 . 1 1 27 27 ASN N N 27 124.000 124.000 119.936 4.064 18127
451 1 5 . 1 1 27 27 ASN C C 27 174.300 174.300 176.255 -1.955 18127
452 1 5 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.042 0.258 18127
453 1 5 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.645 1.755 18127
454 1 5 . 1 1 28 28 LYS N N 28 124.000 124.000 120.309 3.691 18127
455 1 5 . 1 1 28 28 LYS C C 28 173.600 173.600 177.823 -4.223 18127
456 1 5 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.607 -2.107 18127
457 1 5 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.570 2.430 18127
458 1 5 . 1 1 29 29 GLY N N 29 107.500 107.500 108.520 -1.020 18127
459 1 5 . 1 1 29 29 GLY C C 29 171.400 171.400 173.332 -1.932 18127
460 1 5 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.497 -0.497 18127
461 1 5 . 1 1 30 30 ALA N N 30 127.800 127.800 125.504 2.296 18127
462 1 5 . 1 1 30 30 ALA C C 30 174.800 174.800 176.516 -1.716 18127
463 1 5 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.208 -1.308 18127
464 1 5 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.523 2.177 18127
465 1 5 . 1 1 31 31 ILE N N 31 117.900 117.900 118.360 -0.460 18127
466 1 5 . 1 1 31 31 ILE C C 31 174.100 174.100 174.791 -0.691 18127
467 1 5 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.661 0.139 18127
468 1 5 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.404 0.797 18127
469 1 5 . 1 1 32 32 ILE C C 32 174.800 174.800 176.073 -1.273 18127
470 1 5 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.113 -2.913 18127
471 1 5 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.912 3.488 18127
472 1 5 . 1 1 33 33 GLY N N 33 110.800 110.800 116.033 -5.233 18127
473 1 5 . 1 1 33 33 GLY C C 33 171.600 171.600 173.509 -1.909 18127
474 1 5 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.048 3.752 18127
475 1 5 . 1 1 34 34 LEU C C 34 173.500 173.500 175.960 -2.460 18127
476 1 5 . 1 1 34 34 LEU CA C 34 53.800 53.800 55.006 -1.206 18127
477 1 5 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.182 1.718 18127
478 1 5 . 1 1 35 35 MET N N 35 122.100 122.100 124.137 -2.037 18127
479 1 5 . 1 1 35 35 MET C C 35 173.300 173.300 175.194 -1.894 18127
480 1 5 . 1 1 35 35 MET CA C 35 54.400 54.400 55.653 -1.253 18127
481 1 5 . 1 1 35 35 MET CB C 35 37.100 37.100 33.916 3.184 18127
482 1 5 . 1 1 36 36 VAL N N 36 124.300 124.300 124.629 -0.329 18127
483 1 5 . 1 1 36 36 VAL C C 36 175.200 175.200 175.927 -0.727 18127
484 1 5 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.288 -2.588 18127
485 1 5 . 1 1 36 36 VAL CB C 36 34.900 34.900 32.700 2.200 18127
486 1 5 . 1 1 37 37 GLY N N 37 116.500 116.500 112.551 3.949 18127
487 1 5 . 1 1 37 37 GLY C C 37 171.000 171.000 174.336 -3.336 18127
488 1 5 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.017 -0.117 18127
489 1 5 . 1 1 38 38 GLY N N 38 104.200 104.200 110.280 -6.080 18127
490 1 5 . 1 1 38 38 GLY C C 38 170.400 170.400 172.456 -2.056 18127
491 1 5 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.970 -0.170 18127
492 1 5 . 1 1 39 39 VAL N N 39 114.700 114.700 118.307 -3.607 18127
493 1 5 . 1 1 39 39 VAL C C 39 173.200 173.200 175.234 -2.034 18127
494 1 5 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.386 -0.286 18127
495 1 5 . 1 1 39 39 VAL CB C 39 35.200 35.200 32.818 2.382 18127
496 1 6 . 1 1 10 10 TYR C C 10 175.000 175.000 175.914 -0.914 18127
497 1 6 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.751 -0.451 18127
498 1 6 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.698 2.402 18127
499 1 6 . 1 1 12 12 VAL C C 12 174.600 174.600 175.441 -0.841 18127
500 1 6 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.851 -1.451 18127
501 1 6 . 1 1 12 12 VAL CB C 12 35.300 35.300 32.861 2.439 18127
502 1 6 . 1 1 13 13 HIS C C 13 174.200 174.200 174.244 -0.044 18127
503 1 6 . 1 1 13 13 HIS CA C 13 54.200 54.200 56.133 -1.933 18127
504 1 6 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.649 4.151 18127
505 1 6 . 1 1 14 14 HIS C C 14 174.200 174.200 173.686 0.514 18127
506 1 6 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.934 -0.534 18127
507 1 6 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.365 1.735 18127
508 1 6 . 1 1 15 15 GLN N N 15 123.800 123.800 120.061 3.739 18127
509 1 6 . 1 1 15 15 GLN C C 15 173.600 173.600 173.130 0.470 18127
510 1 6 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.564 0.436 18127
511 1 6 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.236 2.264 18127
512 1 6 . 1 1 16 16 LYS N N 16 126.400 126.400 121.227 5.173 18127
513 1 6 . 1 1 16 16 LYS C C 16 174.100 174.100 174.782 -0.682 18127
514 1 6 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.127 -1.427 18127
515 1 6 . 1 1 16 16 LYS CB C 16 36.000 36.000 34.400 1.600 18127
516 1 6 . 1 1 17 17 LEU C C 17 174.600 174.600 176.200 -1.600 18127
517 1 6 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.278 0.222 18127
518 1 6 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.790 3.610 18127
519 1 6 . 1 1 18 18 VAL C C 18 172.800 172.800 175.039 -2.239 18127
520 1 6 . 1 1 18 18 VAL CA C 18 60.900 60.900 62.027 -1.127 18127
521 1 6 . 1 1 18 18 VAL CB C 18 35.600 35.600 32.548 3.052 18127
522 1 6 . 1 1 19 19 PHE C C 19 171.900 171.900 174.448 -2.548 18127
523 1 6 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.685 -1.185 18127
524 1 6 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.622 2.978 18127
525 1 6 . 1 1 20 20 PHE C C 20 172.200 172.200 173.857 -1.657 18127
526 1 6 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.813 -0.813 18127
527 1 6 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.236 2.664 18127
528 1 6 . 1 1 21 21 ALA C C 21 175.000 175.000 176.420 -1.420 18127
529 1 6 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.770 -1.671 18127
530 1 6 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.313 3.387 18127
531 1 6 . 1 1 22 22 GLU C C 22 174.900 174.900 174.424 0.476 18127
532 1 6 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.241 -2.341 18127
533 1 6 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.850 2.250 18127
534 1 6 . 1 1 23 23 ASP N N 23 126.900 126.900 125.779 1.121 18127
535 1 6 . 1 1 23 23 ASP C C 23 174.200 174.200 176.109 -1.909 18127
536 1 6 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.077 2.723 18127
537 1 6 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.339 -2.139 18127
538 1 6 . 1 1 24 24 VAL N N 24 121.200 121.200 123.116 -1.916 18127
539 1 6 . 1 1 24 24 VAL C C 24 174.500 174.500 176.716 -2.216 18127
540 1 6 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.907 -1.607 18127
541 1 6 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.368 0.532 18127
542 1 6 . 1 1 25 25 GLY N N 25 118.000 118.000 115.340 2.660 18127
543 1 6 . 1 1 25 25 GLY C C 25 171.300 171.300 174.350 -3.050 18127
544 1 6 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.822 1.178 18127
545 1 6 . 1 1 26 26 SER N N 26 112.600 112.600 118.883 -6.283 18127
546 1 6 . 1 1 26 26 SER C C 26 174.100 174.100 174.666 -0.566 18127
547 1 6 . 1 1 26 26 SER CA C 26 56.400 56.400 57.322 -0.922 18127
548 1 6 . 1 1 26 26 SER CB C 26 65.700 65.700 64.620 1.080 18127
549 1 6 . 1 1 27 27 ASN N N 27 124.000 124.000 119.492 4.508 18127
550 1 6 . 1 1 27 27 ASN C C 27 174.300 174.300 175.235 -0.935 18127
551 1 6 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.128 0.172 18127
552 1 6 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.759 1.641 18127
553 1 6 . 1 1 28 28 LYS N N 28 124.000 124.000 121.050 2.950 18127
554 1 6 . 1 1 28 28 LYS C C 28 173.600 173.600 177.138 -3.538 18127
555 1 6 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.263 -1.763 18127
556 1 6 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.835 3.165 18127
557 1 6 . 1 1 29 29 GLY N N 29 107.500 107.500 111.184 -3.684 18127
558 1 6 . 1 1 29 29 GLY C C 29 171.400 171.400 173.306 -1.906 18127
559 1 6 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.025 -1.025 18127
560 1 6 . 1 1 30 30 ALA N N 30 127.800 127.800 125.134 2.666 18127
561 1 6 . 1 1 30 30 ALA C C 30 174.800 174.800 176.532 -1.732 18127
562 1 6 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.451 -1.551 18127
563 1 6 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.856 1.844 18127
564 1 6 . 1 1 31 31 ILE N N 31 117.900 117.900 118.666 -0.766 18127
565 1 6 . 1 1 31 31 ILE C C 31 174.100 174.100 174.737 -0.637 18127
566 1 6 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.152 -0.352 18127
567 1 6 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.993 1.207 18127
568 1 6 . 1 1 32 32 ILE C C 32 174.800 174.800 175.304 -0.504 18127
569 1 6 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.358 -3.159 18127
570 1 6 . 1 1 32 32 ILE CB C 32 42.400 42.400 40.410 1.990 18127
571 1 6 . 1 1 33 33 GLY N N 33 110.800 110.800 114.870 -4.070 18127
572 1 6 . 1 1 33 33 GLY C C 33 171.600 171.600 173.712 -2.112 18127
573 1 6 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.922 3.878 18127
574 1 6 . 1 1 34 34 LEU C C 34 173.500 173.500 176.218 -2.718 18127
575 1 6 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.528 -0.728 18127
576 1 6 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.485 2.415 18127
577 1 6 . 1 1 35 35 MET N N 35 122.100 122.100 123.782 -1.682 18127
578 1 6 . 1 1 35 35 MET C C 35 173.300 173.300 175.651 -2.351 18127
579 1 6 . 1 1 35 35 MET CA C 35 54.400 54.400 55.116 -0.716 18127
580 1 6 . 1 1 35 35 MET CB C 35 37.100 37.100 34.566 2.534 18127
581 1 6 . 1 1 36 36 VAL N N 36 124.300 124.300 126.490 -2.190 18127
582 1 6 . 1 1 36 36 VAL C C 36 175.200 175.200 175.975 -0.775 18127
583 1 6 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.087 -2.387 18127
584 1 6 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.474 4.426 18127
585 1 6 . 1 1 37 37 GLY N N 37 116.500 116.500 113.835 2.665 18127
586 1 6 . 1 1 37 37 GLY C C 37 171.000 171.000 174.617 -3.617 18127
587 1 6 . 1 1 37 37 GLY CA C 37 44.900 44.900 44.905 -0.005 18127
588 1 6 . 1 1 38 38 GLY N N 38 104.200 104.200 110.708 -6.508 18127
589 1 6 . 1 1 38 38 GLY C C 38 170.400 170.400 173.762 -3.362 18127
590 1 6 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.865 -0.065 18127
591 1 6 . 1 1 39 39 VAL N N 39 114.700 114.700 117.138 -2.438 18127
592 1 6 . 1 1 39 39 VAL C C 39 173.200 173.200 175.108 -1.908 18127
593 1 6 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.822 0.278 18127
594 1 6 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.023 1.177 18127
595 1 7 . 1 1 10 10 TYR C C 10 175.000 175.000 175.240 -0.240 18127
596 1 7 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.048 0.252 18127
597 1 7 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.841 2.259 18127
598 1 7 . 1 1 12 12 VAL C C 12 174.600 174.600 175.088 -0.488 18127
599 1 7 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.276 -0.876 18127
600 1 7 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.776 1.524 18127
601 1 7 . 1 1 13 13 HIS C C 13 174.200 174.200 174.254 -0.054 18127
602 1 7 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.614 -1.414 18127
603 1 7 . 1 1 13 13 HIS CB C 13 34.800 34.800 32.254 2.546 18127
604 1 7 . 1 1 14 14 HIS C C 14 174.200 174.200 174.895 -0.695 18127
605 1 7 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.058 -0.658 18127
606 1 7 . 1 1 14 14 HIS CB C 14 33.100 33.100 30.861 2.239 18127
607 1 7 . 1 1 15 15 GLN N N 15 123.800 123.800 118.736 5.064 18127
608 1 7 . 1 1 15 15 GLN C C 15 173.600 173.600 174.693 -1.093 18127
609 1 7 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.106 -0.106 18127
610 1 7 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.383 2.117 18127
611 1 7 . 1 1 16 16 LYS N N 16 126.400 126.400 121.352 5.048 18127
612 1 7 . 1 1 16 16 LYS C C 16 174.100 174.100 175.271 -1.171 18127
613 1 7 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.606 -1.906 18127
614 1 7 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.814 2.186 18127
615 1 7 . 1 1 17 17 LEU C C 17 174.600 174.600 176.389 -1.789 18127
616 1 7 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.621 -0.121 18127
617 1 7 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.860 3.540 18127
618 1 7 . 1 1 18 18 VAL C C 18 172.800 172.800 175.273 -2.473 18127
619 1 7 . 1 1 18 18 VAL CA C 18 60.900 60.900 62.105 -1.205 18127
620 1 7 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.831 1.768 18127
621 1 7 . 1 1 19 19 PHE C C 19 171.900 171.900 175.095 -3.195 18127
622 1 7 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.592 -1.092 18127
623 1 7 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.721 2.879 18127
624 1 7 . 1 1 20 20 PHE C C 20 172.200 172.200 173.863 -1.663 18127
625 1 7 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.966 -0.966 18127
626 1 7 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.824 2.076 18127
627 1 7 . 1 1 21 21 ALA C C 21 175.000 175.000 176.610 -1.610 18127
628 1 7 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.188 -2.088 18127
629 1 7 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.192 2.508 18127
630 1 7 . 1 1 22 22 GLU C C 22 174.900 174.900 174.707 0.193 18127
631 1 7 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.715 -1.815 18127
632 1 7 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.915 2.185 18127
633 1 7 . 1 1 23 23 ASP N N 23 126.900 126.900 122.391 4.509 18127
634 1 7 . 1 1 23 23 ASP C C 23 174.200 174.200 175.756 -1.556 18127
635 1 7 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.970 2.830 18127
636 1 7 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.152 -1.952 18127
637 1 7 . 1 1 24 24 VAL N N 24 121.200 121.200 124.980 -3.780 18127
638 1 7 . 1 1 24 24 VAL C C 24 174.500 174.500 176.603 -2.103 18127
639 1 7 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.431 -1.131 18127
640 1 7 . 1 1 24 24 VAL CB C 24 32.900 32.900 33.927 -1.027 18127
641 1 7 . 1 1 25 25 GLY N N 25 118.000 118.000 114.658 3.342 18127
642 1 7 . 1 1 25 25 GLY C C 25 171.300 171.300 174.434 -3.134 18127
643 1 7 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.975 1.025 18127
644 1 7 . 1 1 26 26 SER N N 26 112.600 112.600 118.527 -5.927 18127
645 1 7 . 1 1 26 26 SER C C 26 174.100 174.100 174.506 -0.406 18127
646 1 7 . 1 1 26 26 SER CA C 26 56.400 56.400 57.575 -1.175 18127
647 1 7 . 1 1 26 26 SER CB C 26 65.700 65.700 64.789 0.911 18127
648 1 7 . 1 1 27 27 ASN N N 27 124.000 124.000 118.831 5.169 18127
649 1 7 . 1 1 27 27 ASN C C 27 174.300 174.300 176.235 -1.935 18127
650 1 7 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.229 0.071 18127
651 1 7 . 1 1 27 27 ASN CB C 27 40.400 40.400 39.226 1.174 18127
652 1 7 . 1 1 28 28 LYS N N 28 124.000 124.000 119.816 4.184 18127
653 1 7 . 1 1 28 28 LYS C C 28 173.600 173.600 177.480 -3.880 18127
654 1 7 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.763 -2.263 18127
655 1 7 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.475 2.525 18127
656 1 7 . 1 1 29 29 GLY N N 29 107.500 107.500 108.394 -0.894 18127
657 1 7 . 1 1 29 29 GLY C C 29 171.400 171.400 173.359 -1.959 18127
658 1 7 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.418 -0.418 18127
659 1 7 . 1 1 30 30 ALA N N 30 127.800 127.800 125.570 2.230 18127
660 1 7 . 1 1 30 30 ALA C C 30 174.800 174.800 176.653 -1.853 18127
661 1 7 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.449 -1.549 18127
662 1 7 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.193 2.507 18127
663 1 7 . 1 1 31 31 ILE N N 31 117.900 117.900 118.036 -0.136 18127
664 1 7 . 1 1 31 31 ILE C C 31 174.100 174.100 174.718 -0.618 18127
665 1 7 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.670 0.129 18127
666 1 7 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.545 0.655 18127
667 1 7 . 1 1 32 32 ILE C C 32 174.800 174.800 175.910 -1.110 18127
668 1 7 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.204 -3.004 18127
669 1 7 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.165 3.235 18127
670 1 7 . 1 1 33 33 GLY N N 33 110.800 110.800 115.212 -4.412 18127
671 1 7 . 1 1 33 33 GLY C C 33 171.600 171.600 173.482 -1.882 18127
672 1 7 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.030 3.770 18127
673 1 7 . 1 1 34 34 LEU C C 34 173.500 173.500 176.212 -2.712 18127
674 1 7 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.835 -1.035 18127
675 1 7 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.512 1.388 18127
676 1 7 . 1 1 35 35 MET N N 35 122.100 122.100 123.725 -1.625 18127
677 1 7 . 1 1 35 35 MET C C 35 173.300 173.300 175.413 -2.113 18127
678 1 7 . 1 1 35 35 MET CA C 35 54.400 54.400 55.444 -1.044 18127
679 1 7 . 1 1 35 35 MET CB C 35 37.100 37.100 33.604 3.496 18127
680 1 7 . 1 1 36 36 VAL N N 36 124.300 124.300 125.358 -1.058 18127
681 1 7 . 1 1 36 36 VAL C C 36 175.200 175.200 175.555 -0.355 18127
682 1 7 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.722 -3.022 18127
683 1 7 . 1 1 36 36 VAL CB C 36 34.900 34.900 32.082 2.818 18127
684 1 7 . 1 1 37 37 GLY N N 37 116.500 116.500 111.893 4.607 18127
685 1 7 . 1 1 37 37 GLY C C 37 171.000 171.000 174.150 -3.150 18127
686 1 7 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.286 -0.386 18127
687 1 7 . 1 1 38 38 GLY N N 38 104.200 104.200 110.134 -5.934 18127
688 1 7 . 1 1 38 38 GLY C C 38 170.400 170.400 172.757 -2.357 18127
689 1 7 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.251 -0.451 18127
690 1 7 . 1 1 39 39 VAL N N 39 114.700 114.700 118.786 -4.086 18127
691 1 7 . 1 1 39 39 VAL C C 39 173.200 173.200 175.803 -2.603 18127
692 1 7 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.991 0.109 18127
693 1 7 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.908 1.292 18127
694 1 8 . 1 1 10 10 TYR C C 10 175.000 175.000 175.408 -0.408 18127
695 1 8 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.486 -0.186 18127
696 1 8 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.236 1.864 18127
697 1 8 . 1 1 12 12 VAL C C 12 174.600 174.600 175.569 -0.969 18127
698 1 8 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.704 -1.304 18127
699 1 8 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.361 1.939 18127
700 1 8 . 1 1 13 13 HIS C C 13 174.200 174.200 174.455 -0.255 18127
701 1 8 . 1 1 13 13 HIS CA C 13 54.200 54.200 54.924 -0.724 18127
702 1 8 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.314 4.486 18127
703 1 8 . 1 1 14 14 HIS C C 14 174.200 174.200 173.450 0.750 18127
704 1 8 . 1 1 14 14 HIS CA C 14 55.400 55.400 54.972 0.428 18127
705 1 8 . 1 1 14 14 HIS CB C 14 33.100 33.100 32.054 1.046 18127
706 1 8 . 1 1 15 15 GLN N N 15 123.800 123.800 118.695 5.105 18127
707 1 8 . 1 1 15 15 GLN C C 15 173.600 173.600 174.466 -0.866 18127
708 1 8 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.952 0.049 18127
709 1 8 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.631 1.869 18127
710 1 8 . 1 1 16 16 LYS N N 16 126.400 126.400 121.553 4.847 18127
711 1 8 . 1 1 16 16 LYS C C 16 174.100 174.100 175.233 -1.133 18127
712 1 8 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.171 -1.471 18127
713 1 8 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.481 2.519 18127
714 1 8 . 1 1 17 17 LEU C C 17 174.600 174.600 176.486 -1.886 18127
715 1 8 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.230 0.270 18127
716 1 8 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.841 3.559 18127
717 1 8 . 1 1 18 18 VAL C C 18 172.800 172.800 174.942 -2.142 18127
718 1 8 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.696 -0.796 18127
719 1 8 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.443 2.157 18127
720 1 8 . 1 1 19 19 PHE C C 19 171.900 171.900 174.585 -2.685 18127
721 1 8 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.751 -1.251 18127
722 1 8 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.156 2.444 18127
723 1 8 . 1 1 20 20 PHE C C 20 172.200 172.200 173.473 -1.273 18127
724 1 8 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.823 -0.823 18127
725 1 8 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.816 2.084 18127
726 1 8 . 1 1 21 21 ALA C C 21 175.000 175.000 176.301 -1.301 18127
727 1 8 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.945 -1.845 18127
728 1 8 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.754 2.946 18127
729 1 8 . 1 1 22 22 GLU C C 22 174.900 174.900 174.337 0.563 18127
730 1 8 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.744 -1.844 18127
731 1 8 . 1 1 22 22 GLU CB C 22 34.100 34.100 30.598 3.502 18127
732 1 8 . 1 1 23 23 ASP N N 23 126.900 126.900 124.084 2.816 18127
733 1 8 . 1 1 23 23 ASP C C 23 174.200 174.200 176.459 -2.259 18127
734 1 8 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.994 2.806 18127
735 1 8 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.354 -2.154 18127
736 1 8 . 1 1 24 24 VAL N N 24 121.200 121.200 119.989 1.211 18127
737 1 8 . 1 1 24 24 VAL C C 24 174.500 174.500 176.325 -1.825 18127
738 1 8 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.444 -1.144 18127
739 1 8 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.894 0.006 18127
740 1 8 . 1 1 25 25 GLY N N 25 118.000 118.000 115.620 2.380 18127
741 1 8 . 1 1 25 25 GLY C C 25 171.300 171.300 174.521 -3.221 18127
742 1 8 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.689 1.311 18127
743 1 8 . 1 1 26 26 SER N N 26 112.600 112.600 118.126 -5.526 18127
744 1 8 . 1 1 26 26 SER C C 26 174.100 174.100 174.762 -0.662 18127
745 1 8 . 1 1 26 26 SER CA C 26 56.400 56.400 56.798 -0.398 18127
746 1 8 . 1 1 26 26 SER CB C 26 65.700 65.700 65.659 0.041 18127
747 1 8 . 1 1 27 27 ASN N N 27 124.000 124.000 118.575 5.425 18127
748 1 8 . 1 1 27 27 ASN C C 27 174.300 174.300 175.755 -1.455 18127
749 1 8 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.441 -0.141 18127
750 1 8 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.602 1.798 18127
751 1 8 . 1 1 28 28 LYS N N 28 124.000 124.000 118.960 5.040 18127
752 1 8 . 1 1 28 28 LYS C C 28 173.600 173.600 177.726 -4.126 18127
753 1 8 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.647 -2.147 18127
754 1 8 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.291 2.709 18127
755 1 8 . 1 1 29 29 GLY N N 29 107.500 107.500 108.253 -0.753 18127
756 1 8 . 1 1 29 29 GLY C C 29 171.400 171.400 173.204 -1.804 18127
757 1 8 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.394 -0.394 18127
758 1 8 . 1 1 30 30 ALA N N 30 127.800 127.800 125.694 2.106 18127
759 1 8 . 1 1 30 30 ALA C C 30 174.800 174.800 176.540 -1.740 18127
760 1 8 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.367 -1.467 18127
761 1 8 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.360 2.341 18127
762 1 8 . 1 1 31 31 ILE N N 31 117.900 117.900 118.290 -0.390 18127
763 1 8 . 1 1 31 31 ILE C C 31 174.100 174.100 174.914 -0.814 18127
764 1 8 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.661 0.139 18127
765 1 8 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.601 0.599 18127
766 1 8 . 1 1 32 32 ILE C C 32 174.800 174.800 176.110 -1.310 18127
767 1 8 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.131 -2.931 18127
768 1 8 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.816 3.584 18127
769 1 8 . 1 1 33 33 GLY N N 33 110.800 110.800 115.937 -5.137 18127
770 1 8 . 1 1 33 33 GLY C C 33 171.600 171.600 173.567 -1.967 18127
771 1 8 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.938 3.862 18127
772 1 8 . 1 1 34 34 LEU C C 34 173.500 173.500 175.700 -2.200 18127
773 1 8 . 1 1 34 34 LEU CA C 34 53.800 53.800 55.131 -1.331 18127
774 1 8 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.878 1.022 18127
775 1 8 . 1 1 35 35 MET N N 35 122.100 122.100 122.352 -0.252 18127
776 1 8 . 1 1 35 35 MET C C 35 173.300 173.300 175.111 -1.811 18127
777 1 8 . 1 1 35 35 MET CA C 35 54.400 54.400 55.420 -1.020 18127
778 1 8 . 1 1 35 35 MET CB C 35 37.100 37.100 34.188 2.912 18127
779 1 8 . 1 1 36 36 VAL N N 36 124.300 124.300 123.577 0.723 18127
780 1 8 . 1 1 36 36 VAL C C 36 175.200 175.200 175.781 -0.581 18127
781 1 8 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.135 -2.435 18127
782 1 8 . 1 1 36 36 VAL CB C 36 34.900 34.900 31.890 3.010 18127
783 1 8 . 1 1 37 37 GLY N N 37 116.500 116.500 112.710 3.790 18127
784 1 8 . 1 1 37 37 GLY C C 37 171.000 171.000 174.207 -3.207 18127
785 1 8 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.002 -0.102 18127
786 1 8 . 1 1 38 38 GLY N N 38 104.200 104.200 110.963 -6.763 18127
787 1 8 . 1 1 38 38 GLY C C 38 170.400 170.400 172.859 -2.459 18127
788 1 8 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.430 -0.630 18127
789 1 8 . 1 1 39 39 VAL N N 39 114.700 114.700 117.827 -3.127 18127
790 1 8 . 1 1 39 39 VAL C C 39 173.200 173.200 175.932 -2.732 18127
791 1 8 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.416 -0.316 18127
792 1 8 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.461 1.739 18127
793 1 9 . 1 1 10 10 TYR C C 10 175.000 175.000 174.019 0.981 18127
794 1 9 . 1 1 10 10 TYR CA C 10 57.300 57.300 56.353 0.947 18127
795 1 9 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.126 1.974 18127
796 1 9 . 1 1 12 12 VAL C C 12 174.600 174.600 174.643 -0.043 18127
797 1 9 . 1 1 12 12 VAL CA C 12 60.400 60.400 60.226 0.174 18127
798 1 9 . 1 1 12 12 VAL CB C 12 35.300 35.300 34.279 1.021 18127
799 1 9 . 1 1 13 13 HIS C C 13 174.200 174.200 174.407 -0.207 18127
800 1 9 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.563 -1.363 18127
801 1 9 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.263 4.537 18127
802 1 9 . 1 1 14 14 HIS C C 14 174.200 174.200 174.232 -0.032 18127
803 1 9 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.656 -0.256 18127
804 1 9 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.488 1.612 18127
805 1 9 . 1 1 15 15 GLN N N 15 123.800 123.800 119.644 4.156 18127
806 1 9 . 1 1 15 15 GLN C C 15 173.600 173.600 174.149 -0.549 18127
807 1 9 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.799 0.201 18127
808 1 9 . 1 1 15 15 GLN CB C 15 33.500 33.500 33.056 0.444 18127
809 1 9 . 1 1 16 16 LYS N N 16 126.400 126.400 121.615 4.785 18127
810 1 9 . 1 1 16 16 LYS C C 16 174.100 174.100 174.446 -0.346 18127
811 1 9 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.463 -1.763 18127
812 1 9 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.553 2.447 18127
813 1 9 . 1 1 17 17 LEU C C 17 174.600 174.600 176.170 -1.570 18127
814 1 9 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.464 0.036 18127
815 1 9 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.019 3.381 18127
816 1 9 . 1 1 18 18 VAL C C 18 172.800 172.800 175.296 -2.496 18127
817 1 9 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.642 -0.742 18127
818 1 9 . 1 1 18 18 VAL CB C 18 35.600 35.600 32.988 2.612 18127
819 1 9 . 1 1 19 19 PHE C C 19 171.900 171.900 174.648 -2.748 18127
820 1 9 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.626 -1.126 18127
821 1 9 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.984 2.615 18127
822 1 9 . 1 1 20 20 PHE C C 20 172.200 172.200 174.121 -1.921 18127
823 1 9 . 1 1 20 20 PHE CA C 20 56.000 56.000 58.003 -2.003 18127
824 1 9 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.892 2.008 18127
825 1 9 . 1 1 21 21 ALA C C 21 175.000 175.000 175.880 -0.880 18127
826 1 9 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.869 -1.769 18127
827 1 9 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.742 2.958 18127
828 1 9 . 1 1 22 22 GLU C C 22 174.900 174.900 174.171 0.729 18127
829 1 9 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.354 -2.454 18127
830 1 9 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.493 2.607 18127
831 1 9 . 1 1 23 23 ASP N N 23 126.900 126.900 125.502 1.398 18127
832 1 9 . 1 1 23 23 ASP C C 23 174.200 174.200 176.004 -1.804 18127
833 1 9 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.385 2.415 18127
834 1 9 . 1 1 23 23 ASP CB C 23 39.200 39.200 40.869 -1.669 18127
835 1 9 . 1 1 24 24 VAL N N 24 121.200 121.200 120.138 1.062 18127
836 1 9 . 1 1 24 24 VAL C C 24 174.500 174.500 175.873 -1.373 18127
837 1 9 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.629 -1.329 18127
838 1 9 . 1 1 24 24 VAL CB C 24 32.900 32.900 33.104 -0.204 18127
839 1 9 . 1 1 25 25 GLY N N 25 118.000 118.000 114.556 3.444 18127
840 1 9 . 1 1 25 25 GLY C C 25 171.300 171.300 174.385 -3.085 18127
841 1 9 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.021 0.979 18127
842 1 9 . 1 1 26 26 SER N N 26 112.600 112.600 116.594 -3.994 18127
843 1 9 . 1 1 26 26 SER C C 26 174.100 174.100 174.323 -0.223 18127
844 1 9 . 1 1 26 26 SER CA C 26 56.400 56.400 56.758 -0.358 18127
845 1 9 . 1 1 26 26 SER CB C 26 65.700 65.700 66.000 -0.300 18127
846 1 9 . 1 1 27 27 ASN N N 27 124.000 124.000 120.436 3.564 18127
847 1 9 . 1 1 27 27 ASN C C 27 174.300 174.300 175.175 -0.875 18127
848 1 9 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.161 -0.861 18127
849 1 9 . 1 1 27 27 ASN CB C 27 40.400 40.400 39.088 1.312 18127
850 1 9 . 1 1 28 28 LYS N N 28 124.000 124.000 121.032 2.968 18127
851 1 9 . 1 1 28 28 LYS C C 28 173.600 173.600 177.121 -3.521 18127
852 1 9 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.282 -0.782 18127
853 1 9 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.392 2.608 18127
854 1 9 . 1 1 29 29 GLY N N 29 107.500 107.500 112.760 -5.260 18127
855 1 9 . 1 1 29 29 GLY C C 29 171.400 171.400 173.621 -2.221 18127
856 1 9 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.133 -1.133 18127
857 1 9 . 1 1 30 30 ALA N N 30 127.800 127.800 125.483 2.317 18127
858 1 9 . 1 1 30 30 ALA C C 30 174.800 174.800 177.103 -2.303 18127
859 1 9 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.196 -1.296 18127
860 1 9 . 1 1 30 30 ALA CB C 30 22.700 22.700 21.096 1.604 18127
861 1 9 . 1 1 31 31 ILE N N 31 117.900 117.900 118.037 -0.137 18127
862 1 9 . 1 1 31 31 ILE C C 31 174.100 174.100 174.625 -0.525 18127
863 1 9 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.636 0.163 18127
864 1 9 . 1 1 31 31 ILE CB C 31 40.200 40.200 37.885 2.315 18127
865 1 9 . 1 1 32 32 ILE C C 32 174.800 174.800 176.091 -1.291 18127
866 1 9 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.367 -3.167 18127
867 1 9 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.762 2.638 18127
868 1 9 . 1 1 33 33 GLY N N 33 110.800 110.800 114.602 -3.802 18127
869 1 9 . 1 1 33 33 GLY C C 33 171.600 171.600 173.704 -2.104 18127
870 1 9 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.003 3.797 18127
871 1 9 . 1 1 34 34 LEU C C 34 173.500 173.500 176.381 -2.881 18127
872 1 9 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.337 -0.537 18127
873 1 9 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.003 2.897 18127
874 1 9 . 1 1 35 35 MET N N 35 122.100 122.100 124.300 -2.200 18127
875 1 9 . 1 1 35 35 MET C C 35 173.300 173.300 175.705 -2.405 18127
876 1 9 . 1 1 35 35 MET CA C 35 54.400 54.400 55.210 -0.810 18127
877 1 9 . 1 1 35 35 MET CB C 35 37.100 37.100 34.404 2.696 18127
878 1 9 . 1 1 36 36 VAL N N 36 124.300 124.300 127.373 -3.073 18127
879 1 9 . 1 1 36 36 VAL C C 36 175.200 175.200 176.022 -0.822 18127
880 1 9 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.952 -2.252 18127
881 1 9 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.257 4.643 18127
882 1 9 . 1 1 37 37 GLY N N 37 116.500 116.500 112.590 3.910 18127
883 1 9 . 1 1 37 37 GLY C C 37 171.000 171.000 174.891 -3.891 18127
884 1 9 . 1 1 37 37 GLY CA C 37 44.900 44.900 44.861 0.039 18127
885 1 9 . 1 1 38 38 GLY N N 38 104.200 104.200 107.848 -3.648 18127
886 1 9 . 1 1 38 38 GLY C C 38 170.400 170.400 173.440 -3.040 18127
887 1 9 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.736 0.064 18127
888 1 9 . 1 1 39 39 VAL N N 39 114.700 114.700 119.101 -4.401 18127
889 1 9 . 1 1 39 39 VAL C C 39 173.200 173.200 175.342 -2.142 18127
890 1 9 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.477 -0.377 18127
891 1 9 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.476 0.724 18127
892 1 10 . 1 1 10 10 TYR C C 10 175.000 175.000 175.540 -0.540 18127
893 1 10 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.559 -0.258 18127
894 1 10 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.852 2.248 18127
895 1 10 . 1 1 12 12 VAL C C 12 174.600 174.600 174.404 0.196 18127
896 1 10 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.569 -1.169 18127
897 1 10 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.211 2.089 18127
898 1 10 . 1 1 13 13 HIS C C 13 174.200 174.200 174.084 0.116 18127
899 1 10 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.836 -1.636 18127
900 1 10 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.128 3.671 18127
901 1 10 . 1 1 14 14 HIS C C 14 174.200 174.200 173.568 0.632 18127
902 1 10 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.112 -0.712 18127
903 1 10 . 1 1 14 14 HIS CB C 14 33.100 33.100 32.042 1.058 18127
904 1 10 . 1 1 15 15 GLN N N 15 123.800 123.800 120.155 3.645 18127
905 1 10 . 1 1 15 15 GLN C C 15 173.600 173.600 173.041 0.559 18127
906 1 10 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.668 0.332 18127
907 1 10 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.827 1.673 18127
908 1 10 . 1 1 16 16 LYS N N 16 126.400 126.400 120.691 5.709 18127
909 1 10 . 1 1 16 16 LYS C C 16 174.100 174.100 174.467 -0.367 18127
910 1 10 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.046 -1.346 18127
911 1 10 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.754 2.247 18127
912 1 10 . 1 1 17 17 LEU C C 17 174.600 174.600 175.743 -1.143 18127
913 1 10 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.416 0.084 18127
914 1 10 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.379 3.021 18127
915 1 10 . 1 1 18 18 VAL C C 18 172.800 172.800 175.123 -2.323 18127
916 1 10 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.954 -1.054 18127
917 1 10 . 1 1 18 18 VAL CB C 18 35.600 35.600 32.850 2.750 18127
918 1 10 . 1 1 19 19 PHE C C 19 171.900 171.900 174.687 -2.787 18127
919 1 10 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.911 -1.411 18127
920 1 10 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.088 2.512 18127
921 1 10 . 1 1 20 20 PHE C C 20 172.200 172.200 173.938 -1.738 18127
922 1 10 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.064 -1.064 18127
923 1 10 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.942 1.958 18127
924 1 10 . 1 1 21 21 ALA C C 21 175.000 175.000 176.207 -1.207 18127
925 1 10 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.264 -2.163 18127
926 1 10 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.611 3.089 18127
927 1 10 . 1 1 22 22 GLU C C 22 174.900 174.900 174.952 -0.052 18127
928 1 10 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.798 -1.898 18127
929 1 10 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.937 2.163 18127
930 1 10 . 1 1 23 23 ASP N N 23 126.900 126.900 123.748 3.152 18127
931 1 10 . 1 1 23 23 ASP C C 23 174.200 174.200 174.932 -0.732 18127
932 1 10 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.024 2.776 18127
933 1 10 . 1 1 23 23 ASP CB C 23 39.200 39.200 40.812 -1.611 18127
934 1 10 . 1 1 24 24 VAL N N 24 121.200 121.200 125.884 -4.684 18127
935 1 10 . 1 1 24 24 VAL C C 24 174.500 174.500 175.073 -0.573 18127
936 1 10 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.380 -1.081 18127
937 1 10 . 1 1 24 24 VAL CB C 24 32.900 32.900 34.283 -1.383 18127
938 1 10 . 1 1 25 25 GLY N N 25 118.000 118.000 114.233 3.767 18127
939 1 10 . 1 1 25 25 GLY C C 25 171.300 171.300 174.482 -3.182 18127
940 1 10 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.390 0.610 18127
941 1 10 . 1 1 26 26 SER N N 26 112.600 112.600 116.626 -4.026 18127
942 1 10 . 1 1 26 26 SER C C 26 174.100 174.100 174.921 -0.821 18127
943 1 10 . 1 1 26 26 SER CA C 26 56.400 56.400 57.756 -1.356 18127
944 1 10 . 1 1 26 26 SER CB C 26 65.700 65.700 64.275 1.425 18127
945 1 10 . 1 1 27 27 ASN N N 27 124.000 124.000 119.012 4.988 18127
946 1 10 . 1 1 27 27 ASN C C 27 174.300 174.300 174.993 -0.693 18127
947 1 10 . 1 1 27 27 ASN CA C 27 53.300 53.300 52.832 0.468 18127
948 1 10 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.790 1.610 18127
949 1 10 . 1 1 28 28 LYS N N 28 124.000 124.000 119.406 4.594 18127
950 1 10 . 1 1 28 28 LYS C C 28 173.600 173.600 177.693 -4.093 18127
951 1 10 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.431 -1.931 18127
952 1 10 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.945 3.055 18127
953 1 10 . 1 1 29 29 GLY N N 29 107.500 107.500 107.852 -0.352 18127
954 1 10 . 1 1 29 29 GLY C C 29 171.400 171.400 174.071 -2.671 18127
955 1 10 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.891 -0.891 18127
956 1 10 . 1 1 30 30 ALA N N 30 127.800 127.800 123.626 4.174 18127
957 1 10 . 1 1 30 30 ALA C C 30 174.800 174.800 177.276 -2.476 18127
958 1 10 . 1 1 30 30 ALA CA C 30 49.900 49.900 52.568 -2.668 18127
959 1 10 . 1 1 30 30 ALA CB C 30 22.700 22.700 18.354 4.346 18127
960 1 10 . 1 1 31 31 ILE N N 31 117.900 117.900 120.428 -2.528 18127
961 1 10 . 1 1 31 31 ILE C C 31 174.100 174.100 175.059 -0.959 18127
962 1 10 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.423 -0.623 18127
963 1 10 . 1 1 31 31 ILE CB C 31 40.200 40.200 36.366 3.834 18127
964 1 10 . 1 1 32 32 ILE C C 32 174.800 174.800 175.708 -0.908 18127
965 1 10 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.187 -2.987 18127
966 1 10 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.482 2.918 18127
967 1 10 . 1 1 33 33 GLY N N 33 110.800 110.800 115.169 -4.369 18127
968 1 10 . 1 1 33 33 GLY C C 33 171.600 171.600 173.585 -1.985 18127
969 1 10 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.114 3.686 18127
970 1 10 . 1 1 34 34 LEU C C 34 173.500 173.500 176.200 -2.700 18127
971 1 10 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.517 -0.717 18127
972 1 10 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.912 1.988 18127
973 1 10 . 1 1 35 35 MET N N 35 122.100 122.100 123.100 -1.000 18127
974 1 10 . 1 1 35 35 MET C C 35 173.300 173.300 175.600 -2.300 18127
975 1 10 . 1 1 35 35 MET CA C 35 54.400 54.400 55.118 -0.718 18127
976 1 10 . 1 1 35 35 MET CB C 35 37.100 37.100 34.209 2.891 18127
977 1 10 . 1 1 36 36 VAL N N 36 124.300 124.300 126.403 -2.103 18127
978 1 10 . 1 1 36 36 VAL C C 36 175.200 175.200 175.752 -0.552 18127
979 1 10 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.120 -2.420 18127
980 1 10 . 1 1 36 36 VAL CB C 36 34.900 34.900 29.999 4.901 18127
981 1 10 . 1 1 37 37 GLY N N 37 116.500 116.500 112.370 4.130 18127
982 1 10 . 1 1 37 37 GLY C C 37 171.000 171.000 173.884 -2.884 18127
983 1 10 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.369 -0.469 18127
984 1 10 . 1 1 38 38 GLY N N 38 104.200 104.200 110.544 -6.344 18127
985 1 10 . 1 1 38 38 GLY C C 38 170.400 170.400 172.977 -2.577 18127
986 1 10 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.315 -0.514 18127
987 1 10 . 1 1 39 39 VAL N N 39 114.700 114.700 118.189 -3.489 18127
988 1 10 . 1 1 39 39 VAL C C 39 173.200 173.200 174.781 -1.581 18127
989 1 10 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.681 -0.581 18127
990 1 10 . 1 1 39 39 VAL CB C 39 35.200 35.200 32.957 2.243 18127
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 17 3.830 -0.232 3.940 18127
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18127
3 1 1 "Average Difference" C 29 1.931 1.597 1.104 18127
4 1 1 "Average Difference" CA 29 1.460 0.646 1.333 18127
5 1 1 "Average Difference" CB 24 2.500 -2.069 1.434 18127
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18127
7 1 2 "Average Difference" N 17 4.157 0.142 4.283 18127
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18127
9 1 2 "Average Difference" C 29 1.894 1.523 1.147 18127
10 1 2 "Average Difference" CA 29 1.455 0.593 1.352 18127
11 1 2 "Average Difference" CB 24 2.489 -2.054 1.435 18127
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18127
13 1 3 "Average Difference" N 17 3.790 -0.006 3.907 18127
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18127
15 1 3 "Average Difference" C 29 1.831 1.506 1.060 18127
16 1 3 "Average Difference" CA 29 1.531 0.674 1.399 18127
17 1 3 "Average Difference" CB 24 2.458 -2.078 1.341 18127
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18127
19 1 4 "Average Difference" N 17 4.263 -0.028 4.394 18127
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18127
21 1 4 "Average Difference" C 29 1.869 1.513 1.116 18127
22 1 4 "Average Difference" CA 29 1.535 0.686 1.398 18127
23 1 4 "Average Difference" CB 24 2.246 -1.927 1.179 18127
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18127
25 1 5 "Average Difference" N 17 3.851 -0.213 3.964 18127
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18127
27 1 5 "Average Difference" C 29 1.902 1.566 1.098 18127
28 1 5 "Average Difference" CA 29 1.500 0.585 1.406 18127
29 1 5 "Average Difference" CB 24 2.388 -2.036 1.274 18127
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18127
31 1 6 "Average Difference" N 17 3.615 0.239 3.718 18127
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18127
33 1 6 "Average Difference" C 29 1.916 1.528 1.175 18127
34 1 6 "Average Difference" CA 29 1.565 0.632 1.457 18127
35 1 6 "Average Difference" CB 24 2.544 -2.183 1.333 18127
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18127
37 1 7 "Average Difference" N 17 4.047 -0.371 4.154 18127
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18127
39 1 7 "Average Difference" C 29 1.952 1.655 1.053 18127
40 1 7 "Average Difference" CA 29 1.581 0.674 1.456 18127
41 1 7 "Average Difference" CB 24 2.254 -1.869 1.287 18127
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18127
43 1 8 "Average Difference" N 17 3.850 -0.676 3.907 18127
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18127
45 1 8 "Average Difference" C 29 1.911 1.579 1.096 18127
46 1 8 "Average Difference" CA 29 1.499 0.546 1.420 18127
47 1 8 "Average Difference" CB 24 2.436 -2.001 1.419 18127
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18127
49 1 9 "Average Difference" N 17 3.450 -0.064 3.555 18127
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18127
51 1 9 "Average Difference" C 29 1.955 1.503 1.273 18127
52 1 9 "Average Difference" CA 29 1.493 0.537 1.418 18127
53 1 9 "Average Difference" CB 24 2.441 -1.978 1.461 18127
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18127
55 1 10 "Average Difference" N 17 4.000 -0.310 4.111 18127
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18127
57 1 10 "Average Difference" C 29 1.841 1.391 1.228 18127
58 1 10 "Average Difference" CA 29 1.582 0.749 1.419 18127
59 1 10 "Average Difference" CB 24 2.699 -2.279 1.477 18127
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18127
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 18127
_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 10 10 TYR C C 10 175.000 175.000 175.447 -0.447 18127
2 1 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.255 0.045 18127
3 1 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.762 2.338 18127
4 1 . 1 1 12 12 VAL C C 12 174.600 174.600 175.064 -0.464 18127
5 1 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.526 -1.126 18127
6 1 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.391 1.909 18127
7 1 . 1 1 13 13 HIS C C 13 174.200 174.200 174.137 0.063 18127
8 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.519 -1.319 18127
9 1 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.057 3.743 18127
10 1 . 1 1 14 14 HIS C C 14 174.200 174.200 174.013 0.187 18127
11 1 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.562 -0.162 18127
12 1 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.618 1.482 18127
13 1 . 1 1 15 15 GLN N N 15 123.800 123.800 119.547 4.253 18127
14 1 . 1 1 15 15 GLN C C 15 173.600 173.600 174.092 -0.492 18127
15 1 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.876 0.124 18127
16 1 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.414 2.086 18127
17 1 . 1 1 16 16 LYS N N 16 126.400 126.400 121.127 5.273 18127
18 1 . 1 1 16 16 LYS C C 16 174.100 174.100 175.091 -0.991 18127
19 1 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.223 -1.523 18127
20 1 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.708 2.293 18127
21 1 . 1 1 17 17 LEU C C 17 174.600 174.600 176.119 -1.519 18127
22 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.462 0.038 18127
23 1 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.997 3.403 18127
24 1 . 1 1 18 18 VAL C C 18 172.800 172.800 175.065 -2.265 18127
25 1 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.900 -0.999 18127
26 1 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.301 2.299 18127
27 1 . 1 1 19 19 PHE C C 19 171.900 171.900 174.810 -2.910 18127
28 1 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.680 -1.180 18127
29 1 . 1 1 19 19 PHE CB C 19 42.600 42.600 39.910 2.690 18127
30 1 . 1 1 20 20 PHE C C 20 172.200 172.200 173.940 -1.740 18127
31 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.192 -1.192 18127
32 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.628 2.272 18127
33 1 . 1 1 21 21 ALA C C 21 175.000 175.000 176.380 -1.380 18127
34 1 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.010 -1.910 18127
35 1 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.719 2.981 18127
36 1 . 1 1 22 22 GLU C C 22 174.900 174.900 174.531 0.369 18127
37 1 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.018 -2.118 18127
38 1 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.583 2.517 18127
39 1 . 1 1 23 23 ASP N N 23 126.900 126.900 123.905 2.995 18127
40 1 . 1 1 23 23 ASP C C 23 174.200 174.200 175.847 -1.647 18127
41 1 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.324 2.476 18127
42 1 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.087 -1.887 18127
43 1 . 1 1 24 24 VAL N N 24 121.200 121.200 123.052 -1.852 18127
44 1 . 1 1 24 24 VAL C C 24 174.500 174.500 176.227 -1.727 18127
45 1 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.543 -1.243 18127
46 1 . 1 1 24 24 VAL CB C 24 32.900 32.900 33.414 -0.514 18127
47 1 . 1 1 25 25 GLY N N 25 118.000 118.000 115.007 2.993 18127
48 1 . 1 1 25 25 GLY C C 25 171.300 171.300 174.381 -3.081 18127
49 1 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.975 1.025 18127
50 1 . 1 1 26 26 SER N N 26 112.600 112.600 118.201 -5.601 18127
51 1 . 1 1 26 26 SER C C 26 174.100 174.100 174.635 -0.535 18127
52 1 . 1 1 26 26 SER CA C 26 56.400 56.400 57.230 -0.830 18127
53 1 . 1 1 26 26 SER CB C 26 65.700 65.700 65.017 0.683 18127
54 1 . 1 1 27 27 ASN N N 27 124.000 124.000 119.208 4.792 18127
55 1 . 1 1 27 27 ASN C C 27 174.300 174.300 175.451 -1.151 18127
56 1 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.294 0.006 18127
57 1 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.844 1.556 18127
58 1 . 1 1 28 28 LYS N N 28 124.000 124.000 120.312 3.688 18127
59 1 . 1 1 28 28 LYS C C 28 173.600 173.600 177.436 -3.836 18127
60 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.339 -1.839 18127
61 1 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.116 2.884 18127
62 1 . 1 1 29 29 GLY N N 29 107.500 107.500 110.030 -2.530 18127
63 1 . 1 1 29 29 GLY C C 29 171.400 171.400 173.400 -2.000 18127
64 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.783 -0.783 18127
65 1 . 1 1 30 30 ALA N N 30 127.800 127.800 125.271 2.529 18127
66 1 . 1 1 30 30 ALA C C 30 174.800 174.800 176.733 -1.933 18127
67 1 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.464 -1.564 18127
68 1 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.459 2.241 18127
69 1 . 1 1 31 31 ILE N N 31 117.900 117.900 118.510 -0.610 18127
70 1 . 1 1 31 31 ILE C C 31 174.100 174.100 174.812 -0.712 18127
71 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.913 -0.113 18127
72 1 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.708 1.492 18127
73 1 . 1 1 32 32 ILE C C 32 174.800 174.800 175.925 -1.125 18127
74 1 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.258 -3.058 18127
75 1 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.494 2.906 18127
76 1 . 1 1 33 33 GLY N N 33 110.800 110.800 115.017 -4.216 18127
77 1 . 1 1 33 33 GLY C C 33 171.600 171.600 173.575 -1.975 18127
78 1 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.030 3.770 18127
79 1 . 1 1 34 34 LEU C C 34 173.500 173.500 176.138 -2.638 18127
80 1 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.679 -0.879 18127
81 1 . 1 1 34 34 LEU CB C 34 45.900 45.900 43.963 1.937 18127
82 1 . 1 1 35 35 MET N N 35 122.100 122.100 123.542 -1.442 18127
83 1 . 1 1 35 35 MET C C 35 173.300 173.300 175.294 -1.994 18127
84 1 . 1 1 35 35 MET CA C 35 54.400 54.400 55.319 -0.919 18127
85 1 . 1 1 35 35 MET CB C 35 37.100 37.100 34.082 3.018 18127
86 1 . 1 1 36 36 VAL N N 36 124.300 124.300 125.812 -1.512 18127
87 1 . 1 1 36 36 VAL C C 36 175.200 175.200 175.725 -0.525 18127
88 1 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.113 -2.413 18127
89 1 . 1 1 36 36 VAL CB C 36 34.900 34.900 31.398 3.502 18127
90 1 . 1 1 37 37 GLY N N 37 116.500 116.500 112.629 3.871 18127
91 1 . 1 1 37 37 GLY C C 37 171.000 171.000 174.281 -3.281 18127
92 1 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.177 -0.277 18127
93 1 . 1 1 38 38 GLY N N 38 104.200 104.200 110.404 -6.204 18127
94 1 . 1 1 38 38 GLY C C 38 170.400 170.400 173.007 -2.606 18127
95 1 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.028 -0.228 18127
96 1 . 1 1 39 39 VAL N N 39 114.700 114.700 118.543 -3.843 18127
97 1 . 1 1 39 39 VAL C C 39 173.200 173.200 175.394 -2.194 18127
98 1 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.238 -0.138 18127
99 1 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.892 1.308 18127
stop_
save_