data_25270
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25270
_Entry.PDB_ID 2MVJ
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 25270
_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 LYS HA H 2 4.426 4.426 4.180 0.246 25270
2 1 1 . 1 1 2 2 LYS CA C 2 56.100 56.100 58.069 -1.969 25270
3 1 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.512 0.788 25270
4 1 1 . 1 1 3 3 PHE N N 3 120.310 120.310 112.237 8.073 25270
5 1 1 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.120 0.421 25270
6 1 1 . 1 1 3 3 PHE CA C 3 59.200 59.200 59.944 -0.744 25270
7 1 1 . 1 1 3 3 PHE CB C 3 39.500 39.500 36.487 3.013 25270
8 1 1 . 1 1 3 3 PHE H H 3 8.514 8.514 7.609 0.905 25270
9 1 1 . 1 1 4 4 TYR N N 4 118.370 118.370 120.080 -1.710 25270
10 1 1 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.518 -0.055 25270
11 1 1 . 1 1 4 4 TYR CA C 4 59.000 59.000 60.709 -1.709 25270
12 1 1 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.393 0.607 25270
13 1 1 . 1 1 4 4 TYR H H 4 7.919 7.919 8.194 -0.275 25270
14 1 1 . 1 1 5 5 THR N N 5 115.210 115.210 116.569 -1.359 25270
15 1 1 . 1 1 5 5 THR HA H 5 4.097 4.097 3.867 0.230 25270
16 1 1 . 1 1 5 5 THR CA C 5 64.420 64.420 66.779 -2.359 25270
17 1 1 . 1 1 5 5 THR CB C 5 69.000 69.000 68.266 0.734 25270
18 1 1 . 1 1 5 5 THR H H 5 7.791 7.791 8.225 -0.434 25270
19 1 1 . 1 1 6 6 ILE N N 6 121.450 121.450 120.997 0.453 25270
20 1 1 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.750 0.191 25270
21 1 1 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.057 -0.357 25270
22 1 1 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.516 0.284 25270
23 1 1 . 1 1 6 6 ILE H H 6 8.075 8.075 7.605 0.470 25270
24 1 1 . 1 1 7 7 LYS N N 7 120.790 120.790 120.524 0.266 25270
25 1 1 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.937 0.200 25270
26 1 1 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.686 -0.686 25270
27 1 1 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.318 0.182 25270
28 1 1 . 1 1 7 7 LYS H H 7 7.960 7.960 7.287 0.673 25270
29 1 1 . 1 1 8 8 LEU N N 8 120.300 120.300 119.642 0.658 25270
30 1 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 3.889 0.371 25270
31 1 1 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.589 0.411 25270
32 1 1 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.296 0.604 25270
33 1 1 . 1 1 8 8 LEU H H 8 8.230 8.230 7.832 0.398 25270
34 1 1 . 1 1 9 9 ALA N N 9 121.240 121.240 121.519 -0.279 25270
35 1 1 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.847 0.208 25270
36 1 1 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.491 0.409 25270
37 1 1 . 1 1 9 9 ALA CB C 9 18.200 18.200 18.005 0.195 25270
38 1 1 . 1 1 9 9 ALA H H 9 8.453 8.453 7.966 0.487 25270
39 1 1 . 1 1 10 10 LYS N N 10 117.500 117.500 119.134 -1.634 25270
40 1 1 . 1 1 10 10 LYS HA H 10 4.122 4.122 3.992 0.130 25270
41 1 1 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.150 0.450 25270
42 1 1 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.425 -0.125 25270
43 1 1 . 1 1 10 10 LYS H H 10 8.250 8.250 7.707 0.543 25270
44 1 1 . 1 1 11 11 PHE N N 11 121.010 121.010 121.038 -0.028 25270
45 1 1 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.114 0.407 25270
46 1 1 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.182 -0.582 25270
47 1 1 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.069 0.430 25270
48 1 1 . 1 1 11 11 PHE H H 11 8.190 8.190 8.071 0.119 25270
49 1 1 . 1 1 12 12 LEU N N 12 118.470 118.470 118.352 0.118 25270
50 1 1 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.795 0.199 25270
51 1 1 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.692 0.008 25270
52 1 1 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.446 0.255 25270
53 1 1 . 1 1 12 12 LEU H H 12 8.697 8.697 8.977 -0.280 25270
54 1 1 . 1 1 13 13 GLY N N 13 106.150 106.150 105.347 0.803 25270
55 1 1 . 1 1 13 13 GLY CA C 13 47.600 47.600 46.955 0.645 25270
56 1 1 . 1 1 13 13 GLY H H 13 8.686 8.686 8.534 0.152 25270
57 1 1 . 1 1 14 14 GLY N N 14 108.600 108.600 109.871 -1.271 25270
58 1 1 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.739 1.361 25270
59 1 1 . 1 1 14 14 GLY H H 14 8.050 8.050 7.547 0.503 25270
60 1 1 . 1 1 15 15 ILE N N 15 122.400 122.400 123.163 -0.763 25270
61 1 1 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.645 0.168 25270
62 1 1 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.545 -0.045 25270
63 1 1 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.956 -0.556 25270
64 1 1 . 1 1 15 15 ILE H H 15 7.764 7.764 7.525 0.239 25270
65 1 1 . 1 1 16 16 VAL N N 16 119.610 119.610 119.892 -0.282 25270
66 1 1 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.618 0.007 25270
67 1 1 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.356 0.944 25270
68 1 1 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.900 -0.600 25270
69 1 1 . 1 1 16 16 VAL H H 16 8.133 8.133 8.674 -0.541 25270
70 1 1 . 1 1 17 17 ARG N N 17 118.380 118.380 119.621 -1.241 25270
71 1 1 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.037 -0.055 25270
72 1 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.384 1.716 25270
73 1 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.288 0.812 25270
74 1 1 . 1 1 17 17 ARG H H 17 8.324 8.324 7.870 0.454 25270
75 1 1 . 1 1 18 18 ALA N N 18 121.190 121.190 122.333 -1.143 25270
76 1 1 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.017 0.239 25270
77 1 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.937 -0.237 25270
78 1 1 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.018 0.082 25270
79 1 1 . 1 1 18 18 ALA H H 18 7.914 7.914 7.478 0.436 25270
80 1 1 . 1 1 19 19 MET N N 19 117.090 117.090 118.026 -0.936 25270
81 1 1 . 1 1 19 19 MET HA H 19 4.221 4.221 4.022 0.199 25270
82 1 1 . 1 1 19 19 MET CA C 19 58.700 58.700 59.374 -0.674 25270
83 1 1 . 1 1 19 19 MET CB C 19 33.500 33.500 32.587 0.913 25270
84 1 1 . 1 1 19 19 MET H H 19 8.239 8.239 8.102 0.137 25270
85 1 1 . 1 1 20 20 LEU N N 20 117.790 117.790 118.563 -0.773 25270
86 1 1 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.065 0.231 25270
87 1 1 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.134 -0.234 25270
88 1 1 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.616 0.184 25270
89 1 1 . 1 1 20 20 LEU H H 20 8.238 8.238 7.601 0.637 25270
90 1 1 . 1 1 21 21 GLY N N 21 105.850 105.850 106.933 -1.083 25270
91 1 1 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.701 -0.401 25270
92 1 1 . 1 1 21 21 GLY H H 21 8.036 8.036 8.583 -0.547 25270
93 1 1 . 1 1 22 22 SER N N 22 115.100 115.100 116.516 -1.416 25270
94 1 1 . 1 1 22 22 SER HA H 22 4.447 4.447 4.257 0.190 25270
95 1 1 . 1 1 22 22 SER CA C 22 59.700 59.700 60.283 -0.583 25270
96 1 1 . 1 1 22 22 SER CB C 22 63.700 63.700 63.714 -0.014 25270
97 1 1 . 1 1 22 22 SER H H 22 7.868 7.868 7.741 0.127 25270
98 1 1 . 1 1 23 23 PHE N N 23 119.750 119.750 121.908 -2.158 25270
99 1 1 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.543 0.113 25270
100 1 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 57.606 0.494 25270
101 1 1 . 1 1 23 23 PHE CB C 23 39.500 39.500 40.193 -0.693 25270
102 1 1 . 1 1 23 23 PHE H H 23 7.855 7.855 7.470 0.385 25270
103 1 1 . 1 1 24 24 ARG N N 24 120.690 120.690 127.286 -6.596 25270
104 1 1 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.470 -0.040 25270
105 1 1 . 1 1 24 24 ARG CA C 24 56.100 56.100 55.044 1.056 25270
106 1 1 . 1 1 24 24 ARG CB C 24 31.200 31.200 31.292 -0.092 25270
107 1 1 . 1 1 24 24 ARG H H 24 7.903 7.903 8.094 -0.191 25270
108 1 1 . 1 1 25 25 LYS N N 25 123.030 123.030 121.258 1.772 25270
109 1 1 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.229 0.217 25270
110 1 1 . 1 1 25 25 LYS CA C 25 56.100 56.100 58.243 -2.143 25270
111 1 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.138 0.162 25270
112 1 1 . 1 1 25 25 LYS H H 25 8.368 8.368 8.524 -0.156 25270
113 1 2 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.167 0.259 25270
114 1 2 . 1 1 2 2 LYS CA C 2 56.100 56.100 58.794 -2.693 25270
115 1 2 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.053 0.247 25270
116 1 2 . 1 1 3 3 PHE N N 3 120.310 120.310 113.980 6.330 25270
117 1 2 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.438 0.103 25270
118 1 2 . 1 1 3 3 PHE CA C 3 59.200 59.200 59.123 0.077 25270
119 1 2 . 1 1 3 3 PHE CB C 3 39.500 39.500 39.677 -0.177 25270
120 1 2 . 1 1 3 3 PHE H H 3 8.514 8.514 7.869 0.645 25270
121 1 2 . 1 1 4 4 TYR N N 4 118.370 118.370 118.120 0.250 25270
122 1 2 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.426 0.037 25270
123 1 2 . 1 1 4 4 TYR CA C 4 59.000 59.000 60.486 -1.486 25270
124 1 2 . 1 1 4 4 TYR CB C 4 38.000 38.000 36.638 1.362 25270
125 1 2 . 1 1 4 4 TYR H H 4 7.919 7.919 8.469 -0.550 25270
126 1 2 . 1 1 5 5 THR N N 5 115.210 115.210 116.192 -0.982 25270
127 1 2 . 1 1 5 5 THR HA H 5 4.097 4.097 3.766 0.331 25270
128 1 2 . 1 1 5 5 THR CA C 5 64.420 64.420 66.322 -1.902 25270
129 1 2 . 1 1 5 5 THR CB C 5 69.000 69.000 67.684 1.316 25270
130 1 2 . 1 1 5 5 THR H H 5 7.791 7.791 7.578 0.213 25270
131 1 2 . 1 1 6 6 ILE N N 6 121.450 121.450 121.590 -0.140 25270
132 1 2 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.639 0.302 25270
133 1 2 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.028 -0.328 25270
134 1 2 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.284 0.516 25270
135 1 2 . 1 1 6 6 ILE H H 6 8.075 8.075 7.097 0.978 25270
136 1 2 . 1 1 7 7 LYS N N 7 120.790 120.790 120.406 0.384 25270
137 1 2 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.867 0.270 25270
138 1 2 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.770 -0.770 25270
139 1 2 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.307 0.193 25270
140 1 2 . 1 1 7 7 LYS H H 7 7.960 7.960 7.168 0.792 25270
141 1 2 . 1 1 8 8 LEU N N 8 120.300 120.300 119.851 0.449 25270
142 1 2 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.103 0.157 25270
143 1 2 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.656 0.345 25270
144 1 2 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.722 0.178 25270
145 1 2 . 1 1 8 8 LEU H H 8 8.230 8.230 8.007 0.223 25270
146 1 2 . 1 1 9 9 ALA N N 9 121.240 121.240 121.982 -0.742 25270
147 1 2 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.865 0.190 25270
148 1 2 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.515 0.385 25270
149 1 2 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.988 0.212 25270
150 1 2 . 1 1 9 9 ALA H H 9 8.453 8.453 8.518 -0.065 25270
151 1 2 . 1 1 10 10 LYS N N 10 117.500 117.500 119.080 -1.580 25270
152 1 2 . 1 1 10 10 LYS HA H 10 4.122 4.122 3.978 0.144 25270
153 1 2 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.219 0.381 25270
154 1 2 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.387 -0.087 25270
155 1 2 . 1 1 10 10 LYS H H 10 8.250 8.250 7.749 0.501 25270
156 1 2 . 1 1 11 11 PHE N N 11 121.010 121.010 120.976 0.034 25270
157 1 2 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.140 0.381 25270
158 1 2 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.082 -0.482 25270
159 1 2 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.078 0.422 25270
160 1 2 . 1 1 11 11 PHE H H 11 8.190 8.190 7.744 0.446 25270
161 1 2 . 1 1 12 12 LEU N N 12 118.470 118.470 118.610 -0.140 25270
162 1 2 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.795 0.199 25270
163 1 2 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.715 -0.015 25270
164 1 2 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.492 0.208 25270
165 1 2 . 1 1 12 12 LEU H H 12 8.697 8.697 8.928 -0.231 25270
166 1 2 . 1 1 13 13 GLY N N 13 106.150 106.150 105.761 0.389 25270
167 1 2 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.106 0.494 25270
168 1 2 . 1 1 13 13 GLY H H 13 8.686 8.686 8.679 0.007 25270
169 1 2 . 1 1 14 14 GLY N N 14 108.600 108.600 109.996 -1.396 25270
170 1 2 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.894 1.206 25270
171 1 2 . 1 1 14 14 GLY H H 14 8.050 8.050 7.612 0.438 25270
172 1 2 . 1 1 15 15 ILE N N 15 122.400 122.400 123.098 -0.698 25270
173 1 2 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.636 0.177 25270
174 1 2 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.537 -0.037 25270
175 1 2 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.979 -0.579 25270
176 1 2 . 1 1 15 15 ILE H H 15 7.764 7.764 7.438 0.326 25270
177 1 2 . 1 1 16 16 VAL N N 16 119.610 119.610 119.929 -0.319 25270
178 1 2 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.607 0.018 25270
179 1 2 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.373 0.927 25270
180 1 2 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.866 -0.566 25270
181 1 2 . 1 1 16 16 VAL H H 16 8.133 8.133 8.748 -0.615 25270
182 1 2 . 1 1 17 17 ARG N N 17 118.380 118.380 119.513 -1.133 25270
183 1 2 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.033 -0.051 25270
184 1 2 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.473 1.627 25270
185 1 2 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.442 0.658 25270
186 1 2 . 1 1 17 17 ARG H H 17 8.324 8.324 7.714 0.610 25270
187 1 2 . 1 1 18 18 ALA N N 18 121.190 121.190 122.499 -1.309 25270
188 1 2 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.026 0.230 25270
189 1 2 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.963 -0.263 25270
190 1 2 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.046 0.054 25270
191 1 2 . 1 1 18 18 ALA H H 18 7.914 7.914 7.468 0.446 25270
192 1 2 . 1 1 19 19 MET N N 19 117.090 117.090 118.145 -1.055 25270
193 1 2 . 1 1 19 19 MET HA H 19 4.221 4.221 4.020 0.201 25270
194 1 2 . 1 1 19 19 MET CA C 19 58.700 58.700 59.386 -0.686 25270
195 1 2 . 1 1 19 19 MET CB C 19 33.500 33.500 32.593 0.907 25270
196 1 2 . 1 1 19 19 MET H H 19 8.239 8.239 8.328 -0.089 25270
197 1 2 . 1 1 20 20 LEU N N 20 117.790 117.790 118.651 -0.861 25270
198 1 2 . 1 1 20 20 LEU HA H 20 4.296 4.296 3.985 0.311 25270
199 1 2 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.574 -0.674 25270
200 1 2 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.473 0.327 25270
201 1 2 . 1 1 20 20 LEU H H 20 8.238 8.238 7.653 0.585 25270
202 1 2 . 1 1 21 21 GLY N N 21 105.850 105.850 105.921 -0.071 25270
203 1 2 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.918 -0.618 25270
204 1 2 . 1 1 21 21 GLY H H 21 8.036 8.036 8.401 -0.365 25270
205 1 2 . 1 1 22 22 SER N N 22 115.100 115.100 115.463 -0.363 25270
206 1 2 . 1 1 22 22 SER HA H 22 4.447 4.447 4.287 0.160 25270
207 1 2 . 1 1 22 22 SER CA C 22 59.700 59.700 60.397 -0.697 25270
208 1 2 . 1 1 22 22 SER CB C 22 63.700 63.700 63.434 0.266 25270
209 1 2 . 1 1 22 22 SER H H 22 7.868 7.868 7.802 0.066 25270
210 1 2 . 1 1 23 23 PHE N N 23 119.750 119.750 121.544 -1.794 25270
211 1 2 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.258 0.398 25270
212 1 2 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.462 -2.362 25270
213 1 2 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.719 -0.220 25270
214 1 2 . 1 1 23 23 PHE H H 23 7.855 7.855 7.661 0.194 25270
215 1 2 . 1 1 24 24 ARG N N 24 120.690 120.690 119.078 1.612 25270
216 1 2 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.540 -0.110 25270
217 1 2 . 1 1 24 24 ARG CA C 24 56.100 56.100 55.194 0.906 25270
218 1 2 . 1 1 24 24 ARG CB C 24 31.200 31.200 31.544 -0.344 25270
219 1 2 . 1 1 24 24 ARG H H 24 7.903 7.903 7.600 0.303 25270
220 1 2 . 1 1 25 25 LYS N N 25 123.030 123.030 120.817 2.213 25270
221 1 2 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.082 0.364 25270
222 1 2 . 1 1 25 25 LYS CA C 25 56.100 56.100 57.896 -1.796 25270
223 1 2 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.249 1.051 25270
224 1 2 . 1 1 25 25 LYS H H 25 8.368 8.368 8.608 -0.240 25270
225 1 3 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.281 0.145 25270
226 1 3 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.117 -0.018 25270
227 1 3 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.213 0.087 25270
228 1 3 . 1 1 3 3 PHE N N 3 120.310 120.310 121.554 -1.244 25270
229 1 3 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.220 0.321 25270
230 1 3 . 1 1 3 3 PHE CA C 3 59.200 59.200 60.814 -1.614 25270
231 1 3 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.596 0.904 25270
232 1 3 . 1 1 3 3 PHE H H 3 8.514 8.514 8.801 -0.287 25270
233 1 3 . 1 1 4 4 TYR N N 4 118.370 118.370 120.039 -1.669 25270
234 1 3 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.163 0.300 25270
235 1 3 . 1 1 4 4 TYR CA C 4 59.000 59.000 61.904 -2.904 25270
236 1 3 . 1 1 4 4 TYR CB C 4 38.000 38.000 38.180 -0.180 25270
237 1 3 . 1 1 4 4 TYR H H 4 7.919 7.919 8.449 -0.530 25270
238 1 3 . 1 1 5 5 THR N N 5 115.210 115.210 116.725 -1.515 25270
239 1 3 . 1 1 5 5 THR HA H 5 4.097 4.097 3.805 0.292 25270
240 1 3 . 1 1 5 5 THR CA C 5 64.420 64.420 66.830 -2.410 25270
241 1 3 . 1 1 5 5 THR CB C 5 69.000 69.000 68.348 0.652 25270
242 1 3 . 1 1 5 5 THR H H 5 7.791 7.791 7.732 0.059 25270
243 1 3 . 1 1 6 6 ILE N N 6 121.450 121.450 121.717 -0.267 25270
244 1 3 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.696 0.245 25270
245 1 3 . 1 1 6 6 ILE CA C 6 63.700 63.700 65.013 -1.313 25270
246 1 3 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.630 0.170 25270
247 1 3 . 1 1 6 6 ILE H H 6 8.075 8.075 7.496 0.579 25270
248 1 3 . 1 1 7 7 LYS N N 7 120.790 120.790 120.713 0.077 25270
249 1 3 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.988 0.149 25270
250 1 3 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.859 -0.859 25270
251 1 3 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.480 0.020 25270
252 1 3 . 1 1 7 7 LYS H H 7 7.960 7.960 8.019 -0.059 25270
253 1 3 . 1 1 8 8 LEU N N 8 120.300 120.300 119.783 0.517 25270
254 1 3 . 1 1 8 8 LEU HA H 8 4.260 4.260 3.972 0.288 25270
255 1 3 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.558 0.442 25270
256 1 3 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.355 0.545 25270
257 1 3 . 1 1 8 8 LEU H H 8 8.230 8.230 8.064 0.166 25270
258 1 3 . 1 1 9 9 ALA N N 9 121.240 121.240 121.584 -0.344 25270
259 1 3 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.856 0.199 25270
260 1 3 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.486 0.414 25270
261 1 3 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.894 0.306 25270
262 1 3 . 1 1 9 9 ALA H H 9 8.453 8.453 8.296 0.157 25270
263 1 3 . 1 1 10 10 LYS N N 10 117.500 117.500 119.115 -1.615 25270
264 1 3 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.040 0.082 25270
265 1 3 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.132 0.468 25270
266 1 3 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.536 -0.236 25270
267 1 3 . 1 1 10 10 LYS H H 10 8.250 8.250 7.757 0.493 25270
268 1 3 . 1 1 11 11 PHE N N 11 121.010 121.010 120.481 0.529 25270
269 1 3 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.133 0.388 25270
270 1 3 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.203 -0.603 25270
271 1 3 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.113 0.387 25270
272 1 3 . 1 1 11 11 PHE H H 11 8.190 8.190 7.913 0.277 25270
273 1 3 . 1 1 12 12 LEU N N 12 118.470 118.470 118.245 0.225 25270
274 1 3 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.825 0.169 25270
275 1 3 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.581 0.119 25270
276 1 3 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.385 0.316 25270
277 1 3 . 1 1 12 12 LEU H H 12 8.697 8.697 8.935 -0.238 25270
278 1 3 . 1 1 13 13 GLY N N 13 106.150 106.150 105.494 0.656 25270
279 1 3 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.048 0.552 25270
280 1 3 . 1 1 13 13 GLY H H 13 8.686 8.686 8.613 0.073 25270
281 1 3 . 1 1 14 14 GLY N N 14 108.600 108.600 109.341 -0.741 25270
282 1 3 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.527 1.573 25270
283 1 3 . 1 1 14 14 GLY H H 14 8.050 8.050 7.390 0.660 25270
284 1 3 . 1 1 15 15 ILE N N 15 122.400 122.400 122.373 0.027 25270
285 1 3 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.645 0.168 25270
286 1 3 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.457 0.043 25270
287 1 3 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.880 -0.479 25270
288 1 3 . 1 1 15 15 ILE H H 15 7.764 7.764 7.450 0.314 25270
289 1 3 . 1 1 16 16 VAL N N 16 119.610 119.610 120.826 -1.216 25270
290 1 3 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.676 -0.051 25270
291 1 3 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.309 0.991 25270
292 1 3 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.446 -0.146 25270
293 1 3 . 1 1 16 16 VAL H H 16 8.133 8.133 8.625 -0.492 25270
294 1 3 . 1 1 17 17 ARG N N 17 118.380 118.380 119.317 -0.937 25270
295 1 3 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.055 -0.073 25270
296 1 3 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.619 1.481 25270
297 1 3 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.459 0.641 25270
298 1 3 . 1 1 17 17 ARG H H 17 8.324 8.324 8.154 0.170 25270
299 1 3 . 1 1 18 18 ALA N N 18 121.190 121.190 122.592 -1.402 25270
300 1 3 . 1 1 18 18 ALA HA H 18 4.256 4.256 3.999 0.257 25270
301 1 3 . 1 1 18 18 ALA CA C 18 54.700 54.700 55.005 -0.305 25270
302 1 3 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.206 -0.106 25270
303 1 3 . 1 1 18 18 ALA H H 18 7.914 7.914 7.434 0.480 25270
304 1 3 . 1 1 19 19 MET N N 19 117.090 117.090 118.177 -1.087 25270
305 1 3 . 1 1 19 19 MET HA H 19 4.221 4.221 3.999 0.222 25270
306 1 3 . 1 1 19 19 MET CA C 19 58.700 58.700 59.269 -0.569 25270
307 1 3 . 1 1 19 19 MET CB C 19 33.500 33.500 32.573 0.927 25270
308 1 3 . 1 1 19 19 MET H H 19 8.239 8.239 8.070 0.169 25270
309 1 3 . 1 1 20 20 LEU N N 20 117.790 117.790 118.390 -0.600 25270
310 1 3 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.064 0.232 25270
311 1 3 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.296 -0.396 25270
312 1 3 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.513 0.287 25270
313 1 3 . 1 1 20 20 LEU H H 20 8.238 8.238 7.542 0.696 25270
314 1 3 . 1 1 21 21 GLY N N 21 105.850 105.850 107.161 -1.311 25270
315 1 3 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.926 -0.626 25270
316 1 3 . 1 1 21 21 GLY H H 21 8.036 8.036 8.584 -0.548 25270
317 1 3 . 1 1 22 22 SER N N 22 115.100 115.100 115.737 -0.637 25270
318 1 3 . 1 1 22 22 SER HA H 22 4.447 4.447 4.425 0.022 25270
319 1 3 . 1 1 22 22 SER CA C 22 59.700 59.700 59.258 0.442 25270
320 1 3 . 1 1 22 22 SER CB C 22 63.700 63.700 63.613 0.087 25270
321 1 3 . 1 1 22 22 SER H H 22 7.868 7.868 7.953 -0.085 25270
322 1 3 . 1 1 23 23 PHE N N 23 119.750 119.750 124.556 -4.806 25270
323 1 3 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.445 0.211 25270
324 1 3 . 1 1 23 23 PHE CA C 23 58.100 58.100 56.202 1.898 25270
325 1 3 . 1 1 23 23 PHE CB C 23 39.500 39.500 38.191 1.309 25270
326 1 3 . 1 1 23 23 PHE H H 23 7.855 7.855 7.595 0.260 25270
327 1 3 . 1 1 24 24 ARG N N 24 120.690 120.690 120.917 -0.227 25270
328 1 3 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.089 0.341 25270
329 1 3 . 1 1 24 24 ARG CA C 24 56.100 56.100 55.882 0.218 25270
330 1 3 . 1 1 24 24 ARG CB C 24 31.200 31.200 30.306 0.894 25270
331 1 3 . 1 1 24 24 ARG H H 24 7.903 7.903 7.810 0.093 25270
332 1 3 . 1 1 25 25 LYS N N 25 123.030 123.030 121.193 1.837 25270
333 1 3 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.063 0.383 25270
334 1 3 . 1 1 25 25 LYS CA C 25 56.100 56.100 56.146 -0.046 25270
335 1 3 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.332 0.968 25270
336 1 3 . 1 1 25 25 LYS H H 25 8.368 8.368 8.198 0.170 25270
337 1 4 . 1 1 2 2 LYS HA H 2 4.426 4.426 3.751 0.675 25270
338 1 4 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.750 -0.650 25270
339 1 4 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.422 0.878 25270
340 1 4 . 1 1 3 3 PHE N N 3 120.310 120.310 119.808 0.502 25270
341 1 4 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.297 0.244 25270
342 1 4 . 1 1 3 3 PHE CA C 3 59.200 59.200 60.747 -1.547 25270
343 1 4 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.858 0.641 25270
344 1 4 . 1 1 3 3 PHE H H 3 8.514 8.514 8.566 -0.052 25270
345 1 4 . 1 1 4 4 TYR N N 4 118.370 118.370 117.953 0.417 25270
346 1 4 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.196 0.267 25270
347 1 4 . 1 1 4 4 TYR CA C 4 59.000 59.000 60.073 -1.073 25270
348 1 4 . 1 1 4 4 TYR CB C 4 38.000 38.000 36.939 1.061 25270
349 1 4 . 1 1 4 4 TYR H H 4 7.919 7.919 8.460 -0.541 25270
350 1 4 . 1 1 5 5 THR N N 5 115.210 115.210 117.692 -2.482 25270
351 1 4 . 1 1 5 5 THR HA H 5 4.097 4.097 3.453 0.644 25270
352 1 4 . 1 1 5 5 THR CA C 5 64.420 64.420 66.673 -2.253 25270
353 1 4 . 1 1 5 5 THR CB C 5 69.000 69.000 68.141 0.858 25270
354 1 4 . 1 1 5 5 THR H H 5 7.791 7.791 7.219 0.572 25270
355 1 4 . 1 1 6 6 ILE N N 6 121.450 121.450 121.492 -0.042 25270
356 1 4 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.713 0.228 25270
357 1 4 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.307 -0.607 25270
358 1 4 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.426 0.374 25270
359 1 4 . 1 1 6 6 ILE H H 6 8.075 8.075 8.217 -0.142 25270
360 1 4 . 1 1 7 7 LYS N N 7 120.790 120.790 120.608 0.182 25270
361 1 4 . 1 1 7 7 LYS HA H 7 4.137 4.137 4.017 0.120 25270
362 1 4 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.887 -0.887 25270
363 1 4 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.437 0.063 25270
364 1 4 . 1 1 7 7 LYS H H 7 7.960 7.960 7.386 0.574 25270
365 1 4 . 1 1 8 8 LEU N N 8 120.300 120.300 119.855 0.445 25270
366 1 4 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.136 0.124 25270
367 1 4 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.888 0.112 25270
368 1 4 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.892 0.007 25270
369 1 4 . 1 1 8 8 LEU H H 8 8.230 8.230 8.078 0.152 25270
370 1 4 . 1 1 9 9 ALA N N 9 121.240 121.240 121.868 -0.628 25270
371 1 4 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.893 0.162 25270
372 1 4 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.481 0.419 25270
373 1 4 . 1 1 9 9 ALA CB C 9 18.200 18.200 18.031 0.169 25270
374 1 4 . 1 1 9 9 ALA H H 9 8.453 8.453 8.425 0.028 25270
375 1 4 . 1 1 10 10 LYS N N 10 117.500 117.500 119.042 -1.542 25270
376 1 4 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.018 0.104 25270
377 1 4 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.225 0.375 25270
378 1 4 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.444 -0.144 25270
379 1 4 . 1 1 10 10 LYS H H 10 8.250 8.250 7.859 0.391 25270
380 1 4 . 1 1 11 11 PHE N N 11 121.010 121.010 120.881 0.129 25270
381 1 4 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.155 0.366 25270
382 1 4 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.172 -0.572 25270
383 1 4 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.146 0.354 25270
384 1 4 . 1 1 11 11 PHE H H 11 8.190 8.190 7.725 0.465 25270
385 1 4 . 1 1 12 12 LEU N N 12 118.470 118.470 118.274 0.196 25270
386 1 4 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.848 0.146 25270
387 1 4 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.521 0.179 25270
388 1 4 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.460 0.240 25270
389 1 4 . 1 1 12 12 LEU H H 12 8.697 8.697 8.937 -0.240 25270
390 1 4 . 1 1 13 13 GLY N N 13 106.150 106.150 104.964 1.186 25270
391 1 4 . 1 1 13 13 GLY CA C 13 47.600 47.600 46.913 0.686 25270
392 1 4 . 1 1 13 13 GLY H H 13 8.686 8.686 8.643 0.043 25270
393 1 4 . 1 1 14 14 GLY N N 14 108.600 108.600 109.182 -0.582 25270
394 1 4 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.414 1.686 25270
395 1 4 . 1 1 14 14 GLY H H 14 8.050 8.050 7.312 0.738 25270
396 1 4 . 1 1 15 15 ILE N N 15 122.400 122.400 122.597 -0.197 25270
397 1 4 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.638 0.175 25270
398 1 4 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.446 0.054 25270
399 1 4 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.897 -0.497 25270
400 1 4 . 1 1 15 15 ILE H H 15 7.764 7.764 7.205 0.559 25270
401 1 4 . 1 1 16 16 VAL N N 16 119.610 119.610 121.596 -1.986 25270
402 1 4 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.660 -0.035 25270
403 1 4 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.698 0.603 25270
404 1 4 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.965 -0.665 25270
405 1 4 . 1 1 16 16 VAL H H 16 8.133 8.133 8.690 -0.557 25270
406 1 4 . 1 1 17 17 ARG N N 17 118.380 118.380 118.999 -0.619 25270
407 1 4 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.039 -0.057 25270
408 1 4 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.630 1.470 25270
409 1 4 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.262 0.838 25270
410 1 4 . 1 1 17 17 ARG H H 17 8.324 8.324 7.859 0.465 25270
411 1 4 . 1 1 18 18 ALA N N 18 121.190 121.190 122.564 -1.374 25270
412 1 4 . 1 1 18 18 ALA HA H 18 4.256 4.256 3.995 0.261 25270
413 1 4 . 1 1 18 18 ALA CA C 18 54.700 54.700 55.010 -0.310 25270
414 1 4 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.208 -0.108 25270
415 1 4 . 1 1 18 18 ALA H H 18 7.914 7.914 7.405 0.509 25270
416 1 4 . 1 1 19 19 MET N N 19 117.090 117.090 118.134 -1.044 25270
417 1 4 . 1 1 19 19 MET HA H 19 4.221 4.221 4.035 0.186 25270
418 1 4 . 1 1 19 19 MET CA C 19 58.700 58.700 59.338 -0.638 25270
419 1 4 . 1 1 19 19 MET CB C 19 33.500 33.500 32.596 0.904 25270
420 1 4 . 1 1 19 19 MET H H 19 8.239 8.239 8.131 0.108 25270
421 1 4 . 1 1 20 20 LEU N N 20 117.790 117.790 119.147 -1.357 25270
422 1 4 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.053 0.243 25270
423 1 4 . 1 1 20 20 LEU CA C 20 56.900 56.900 58.591 -1.691 25270
424 1 4 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.067 0.733 25270
425 1 4 . 1 1 20 20 LEU H H 20 8.238 8.238 7.658 0.580 25270
426 1 4 . 1 1 21 21 GLY N N 21 105.850 105.850 105.453 0.397 25270
427 1 4 . 1 1 21 21 GLY CA C 21 46.300 46.300 47.034 -0.734 25270
428 1 4 . 1 1 21 21 GLY H H 21 8.036 8.036 8.473 -0.437 25270
429 1 4 . 1 1 22 22 SER N N 22 115.100 115.100 115.813 -0.713 25270
430 1 4 . 1 1 22 22 SER HA H 22 4.447 4.447 4.363 0.084 25270
431 1 4 . 1 1 22 22 SER CA C 22 59.700 59.700 59.954 -0.254 25270
432 1 4 . 1 1 22 22 SER CB C 22 63.700 63.700 63.902 -0.202 25270
433 1 4 . 1 1 22 22 SER H H 22 7.868 7.868 7.842 0.026 25270
434 1 4 . 1 1 23 23 PHE N N 23 119.750 119.750 122.822 -3.072 25270
435 1 4 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.199 0.457 25270
436 1 4 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.773 -2.673 25270
437 1 4 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.618 -0.118 25270
438 1 4 . 1 1 23 23 PHE H H 23 7.855 7.855 8.369 -0.514 25270
439 1 4 . 1 1 24 24 ARG N N 24 120.690 120.690 119.426 1.264 25270
440 1 4 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.144 0.286 25270
441 1 4 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.615 -0.515 25270
442 1 4 . 1 1 24 24 ARG CB C 24 31.200 31.200 28.800 2.400 25270
443 1 4 . 1 1 24 24 ARG H H 24 7.903 7.903 7.729 0.174 25270
444 1 4 . 1 1 25 25 LYS N N 25 123.030 123.030 122.600 0.430 25270
445 1 4 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.057 0.389 25270
446 1 4 . 1 1 25 25 LYS CA C 25 56.100 56.100 57.788 -1.688 25270
447 1 4 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.751 0.549 25270
448 1 4 . 1 1 25 25 LYS H H 25 8.368 8.368 8.287 0.081 25270
449 1 5 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.137 0.289 25270
450 1 5 . 1 1 2 2 LYS CA C 2 56.100 56.100 55.631 0.469 25270
451 1 5 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.839 0.461 25270
452 1 5 . 1 1 3 3 PHE N N 3 120.310 120.310 119.984 0.326 25270
453 1 5 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.169 0.372 25270
454 1 5 . 1 1 3 3 PHE CA C 3 59.200 59.200 61.249 -2.049 25270
455 1 5 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.313 1.187 25270
456 1 5 . 1 1 3 3 PHE H H 3 8.514 8.514 8.514 -0.000 25270
457 1 5 . 1 1 4 4 TYR N N 4 118.370 118.370 114.917 3.453 25270
458 1 5 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.363 0.100 25270
459 1 5 . 1 1 4 4 TYR CA C 4 59.000 59.000 59.443 -0.443 25270
460 1 5 . 1 1 4 4 TYR CB C 4 38.000 38.000 36.778 1.222 25270
461 1 5 . 1 1 4 4 TYR H H 4 7.919 7.919 8.331 -0.412 25270
462 1 5 . 1 1 5 5 THR N N 5 115.210 115.210 117.908 -2.698 25270
463 1 5 . 1 1 5 5 THR HA H 5 4.097 4.097 3.850 0.247 25270
464 1 5 . 1 1 5 5 THR CA C 5 64.420 64.420 66.442 -2.022 25270
465 1 5 . 1 1 5 5 THR CB C 5 69.000 69.000 68.013 0.987 25270
466 1 5 . 1 1 5 5 THR H H 5 7.791 7.791 7.080 0.711 25270
467 1 5 . 1 1 6 6 ILE N N 6 121.450 121.450 121.628 -0.178 25270
468 1 5 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.717 0.224 25270
469 1 5 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.413 -0.713 25270
470 1 5 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.221 0.579 25270
471 1 5 . 1 1 6 6 ILE H H 6 8.075 8.075 7.622 0.453 25270
472 1 5 . 1 1 7 7 LYS N N 7 120.790 120.790 120.657 0.133 25270
473 1 5 . 1 1 7 7 LYS HA H 7 4.137 4.137 4.049 0.088 25270
474 1 5 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.864 -0.863 25270
475 1 5 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.553 -0.053 25270
476 1 5 . 1 1 7 7 LYS H H 7 7.960 7.960 7.374 0.586 25270
477 1 5 . 1 1 8 8 LEU N N 8 120.300 120.300 120.062 0.238 25270
478 1 5 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.181 0.079 25270
479 1 5 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.722 0.278 25270
480 1 5 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.778 0.122 25270
481 1 5 . 1 1 8 8 LEU H H 8 8.230 8.230 8.386 -0.156 25270
482 1 5 . 1 1 9 9 ALA N N 9 121.240 121.240 121.875 -0.635 25270
483 1 5 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.942 0.113 25270
484 1 5 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.588 0.312 25270
485 1 5 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.953 0.247 25270
486 1 5 . 1 1 9 9 ALA H H 9 8.453 8.453 8.641 -0.188 25270
487 1 5 . 1 1 10 10 LYS N N 10 117.500 117.500 119.563 -2.063 25270
488 1 5 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.093 0.029 25270
489 1 5 . 1 1 10 10 LYS CA C 10 59.600 59.600 58.726 0.874 25270
490 1 5 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.392 -0.092 25270
491 1 5 . 1 1 10 10 LYS H H 10 8.250 8.250 7.904 0.346 25270
492 1 5 . 1 1 11 11 PHE N N 11 121.010 121.010 120.431 0.579 25270
493 1 5 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.195 0.326 25270
494 1 5 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.241 -0.641 25270
495 1 5 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.191 0.310 25270
496 1 5 . 1 1 11 11 PHE H H 11 8.190 8.190 7.969 0.221 25270
497 1 5 . 1 1 12 12 LEU N N 12 118.470 118.470 118.406 0.064 25270
498 1 5 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.863 0.131 25270
499 1 5 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.644 0.056 25270
500 1 5 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.538 0.162 25270
501 1 5 . 1 1 12 12 LEU H H 12 8.697 8.697 8.980 -0.283 25270
502 1 5 . 1 1 13 13 GLY N N 13 106.150 106.150 104.737 1.413 25270
503 1 5 . 1 1 13 13 GLY CA C 13 47.600 47.600 46.767 0.832 25270
504 1 5 . 1 1 13 13 GLY H H 13 8.686 8.686 8.629 0.057 25270
505 1 5 . 1 1 14 14 GLY N N 14 108.600 108.600 109.264 -0.664 25270
506 1 5 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.431 1.669 25270
507 1 5 . 1 1 14 14 GLY H H 14 8.050 8.050 7.315 0.735 25270
508 1 5 . 1 1 15 15 ILE N N 15 122.400 122.400 122.880 -0.480 25270
509 1 5 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.684 0.129 25270
510 1 5 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.279 0.220 25270
511 1 5 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.999 -0.599 25270
512 1 5 . 1 1 15 15 ILE H H 15 7.764 7.764 7.469 0.295 25270
513 1 5 . 1 1 16 16 VAL N N 16 119.610 119.610 120.722 -1.112 25270
514 1 5 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.655 -0.030 25270
515 1 5 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.513 0.787 25270
516 1 5 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.949 -0.649 25270
517 1 5 . 1 1 16 16 VAL H H 16 8.133 8.133 8.619 -0.486 25270
518 1 5 . 1 1 17 17 ARG N N 17 118.380 118.380 118.944 -0.564 25270
519 1 5 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.033 -0.051 25270
520 1 5 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.502 1.598 25270
521 1 5 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.402 0.698 25270
522 1 5 . 1 1 17 17 ARG H H 17 8.324 8.324 8.103 0.221 25270
523 1 5 . 1 1 18 18 ALA N N 18 121.190 121.190 122.394 -1.204 25270
524 1 5 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.022 0.234 25270
525 1 5 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.959 -0.259 25270
526 1 5 . 1 1 18 18 ALA CB C 18 18.100 18.100 17.988 0.112 25270
527 1 5 . 1 1 18 18 ALA H H 18 7.914 7.914 7.461 0.453 25270
528 1 5 . 1 1 19 19 MET N N 19 117.090 117.090 118.037 -0.947 25270
529 1 5 . 1 1 19 19 MET HA H 19 4.221 4.221 4.017 0.204 25270
530 1 5 . 1 1 19 19 MET CA C 19 58.700 58.700 59.299 -0.599 25270
531 1 5 . 1 1 19 19 MET CB C 19 33.500 33.500 32.514 0.986 25270
532 1 5 . 1 1 19 19 MET H H 19 8.239 8.239 7.962 0.277 25270
533 1 5 . 1 1 20 20 LEU N N 20 117.790 117.790 118.900 -1.110 25270
534 1 5 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.057 0.239 25270
535 1 5 . 1 1 20 20 LEU CA C 20 56.900 56.900 58.371 -1.471 25270
536 1 5 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.054 0.746 25270
537 1 5 . 1 1 20 20 LEU H H 20 8.238 8.238 7.547 0.691 25270
538 1 5 . 1 1 21 21 GLY N N 21 105.850 105.850 106.309 -0.459 25270
539 1 5 . 1 1 21 21 GLY CA C 21 46.300 46.300 47.057 -0.757 25270
540 1 5 . 1 1 21 21 GLY H H 21 8.036 8.036 8.395 -0.359 25270
541 1 5 . 1 1 22 22 SER N N 22 115.100 115.100 115.333 -0.233 25270
542 1 5 . 1 1 22 22 SER HA H 22 4.447 4.447 4.439 0.008 25270
543 1 5 . 1 1 22 22 SER CA C 22 59.700 59.700 59.322 0.378 25270
544 1 5 . 1 1 22 22 SER CB C 22 63.700 63.700 63.688 0.012 25270
545 1 5 . 1 1 22 22 SER H H 22 7.868 7.868 7.919 -0.051 25270
546 1 5 . 1 1 23 23 PHE N N 23 119.750 119.750 123.079 -3.329 25270
547 1 5 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.265 0.391 25270
548 1 5 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.603 -2.503 25270
549 1 5 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.566 -0.066 25270
550 1 5 . 1 1 23 23 PHE H H 23 7.855 7.855 7.911 -0.056 25270
551 1 5 . 1 1 24 24 ARG N N 24 120.690 120.690 120.247 0.443 25270
552 1 5 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.093 0.337 25270
553 1 5 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.990 -0.890 25270
554 1 5 . 1 1 24 24 ARG CB C 24 31.200 31.200 28.819 2.381 25270
555 1 5 . 1 1 24 24 ARG H H 24 7.903 7.903 7.630 0.273 25270
556 1 5 . 1 1 25 25 LYS N N 25 123.030 123.030 125.602 -2.572 25270
557 1 5 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.430 0.016 25270
558 1 5 . 1 1 25 25 LYS CA C 25 56.100 56.100 55.576 0.524 25270
559 1 5 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.423 -0.123 25270
560 1 5 . 1 1 25 25 LYS H H 25 8.368 8.368 8.014 0.354 25270
561 1 6 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.377 0.049 25270
562 1 6 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.302 -0.202 25270
563 1 6 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.925 0.375 25270
564 1 6 . 1 1 3 3 PHE N N 3 120.310 120.310 120.626 -0.316 25270
565 1 6 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.249 0.292 25270
566 1 6 . 1 1 3 3 PHE CA C 3 59.200 59.200 59.801 -0.601 25270
567 1 6 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.037 1.463 25270
568 1 6 . 1 1 3 3 PHE H H 3 8.514 8.514 8.722 -0.208 25270
569 1 6 . 1 1 4 4 TYR N N 4 118.370 118.370 119.716 -1.346 25270
570 1 6 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.066 0.397 25270
571 1 6 . 1 1 4 4 TYR CA C 4 59.000 59.000 60.310 -1.310 25270
572 1 6 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.062 0.938 25270
573 1 6 . 1 1 4 4 TYR H H 4 7.919 7.919 7.250 0.669 25270
574 1 6 . 1 1 5 5 THR N N 5 115.210 115.210 116.953 -1.743 25270
575 1 6 . 1 1 5 5 THR HA H 5 4.097 4.097 3.457 0.640 25270
576 1 6 . 1 1 5 5 THR CA C 5 64.420 64.420 66.872 -2.452 25270
577 1 6 . 1 1 5 5 THR CB C 5 69.000 69.000 68.288 0.712 25270
578 1 6 . 1 1 5 5 THR H H 5 7.791 7.791 7.496 0.295 25270
579 1 6 . 1 1 6 6 ILE N N 6 121.450 121.450 121.496 -0.046 25270
580 1 6 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.666 0.275 25270
581 1 6 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.290 -0.590 25270
582 1 6 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.517 0.283 25270
583 1 6 . 1 1 6 6 ILE H H 6 8.075 8.075 7.647 0.428 25270
584 1 6 . 1 1 7 7 LYS N N 7 120.790 120.790 120.577 0.213 25270
585 1 6 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.992 0.145 25270
586 1 6 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.889 -0.889 25270
587 1 6 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.440 0.061 25270
588 1 6 . 1 1 7 7 LYS H H 7 7.960 7.960 7.337 0.623 25270
589 1 6 . 1 1 8 8 LEU N N 8 120.300 120.300 119.680 0.620 25270
590 1 6 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.045 0.215 25270
591 1 6 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.588 0.412 25270
592 1 6 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.514 0.386 25270
593 1 6 . 1 1 8 8 LEU H H 8 8.230 8.230 7.841 0.389 25270
594 1 6 . 1 1 9 9 ALA N N 9 121.240 121.240 122.060 -0.820 25270
595 1 6 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.865 0.190 25270
596 1 6 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.572 0.328 25270
597 1 6 . 1 1 9 9 ALA CB C 9 18.200 18.200 18.023 0.177 25270
598 1 6 . 1 1 9 9 ALA H H 9 8.453 8.453 8.456 -0.003 25270
599 1 6 . 1 1 10 10 LYS N N 10 117.500 117.500 118.676 -1.176 25270
600 1 6 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.034 0.088 25270
601 1 6 . 1 1 10 10 LYS CA C 10 59.600 59.600 58.879 0.721 25270
602 1 6 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.247 0.053 25270
603 1 6 . 1 1 10 10 LYS H H 10 8.250 8.250 7.860 0.390 25270
604 1 6 . 1 1 11 11 PHE N N 11 121.010 121.010 121.146 -0.136 25270
605 1 6 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.149 0.372 25270
606 1 6 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.298 -0.698 25270
607 1 6 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.055 0.445 25270
608 1 6 . 1 1 11 11 PHE H H 11 8.190 8.190 7.707 0.483 25270
609 1 6 . 1 1 12 12 LEU N N 12 118.470 118.470 118.367 0.103 25270
610 1 6 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.803 0.191 25270
611 1 6 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.677 0.023 25270
612 1 6 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.450 0.250 25270
613 1 6 . 1 1 12 12 LEU H H 12 8.697 8.697 8.919 -0.222 25270
614 1 6 . 1 1 13 13 GLY N N 13 106.150 106.150 105.580 0.570 25270
615 1 6 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.017 0.583 25270
616 1 6 . 1 1 13 13 GLY H H 13 8.686 8.686 8.646 0.040 25270
617 1 6 . 1 1 14 14 GLY N N 14 108.600 108.600 110.120 -1.520 25270
618 1 6 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.932 1.168 25270
619 1 6 . 1 1 14 14 GLY H H 14 8.050 8.050 7.714 0.336 25270
620 1 6 . 1 1 15 15 ILE N N 15 122.400 122.400 122.996 -0.596 25270
621 1 6 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.652 0.161 25270
622 1 6 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.562 -0.062 25270
623 1 6 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.929 -0.529 25270
624 1 6 . 1 1 15 15 ILE H H 15 7.764 7.764 7.485 0.279 25270
625 1 6 . 1 1 16 16 VAL N N 16 119.610 119.610 119.924 -0.314 25270
626 1 6 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.615 0.010 25270
627 1 6 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.350 0.950 25270
628 1 6 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.902 -0.602 25270
629 1 6 . 1 1 16 16 VAL H H 16 8.133 8.133 8.649 -0.516 25270
630 1 6 . 1 1 17 17 ARG N N 17 118.380 118.380 119.558 -1.178 25270
631 1 6 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.034 -0.052 25270
632 1 6 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.359 1.741 25270
633 1 6 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.377 0.723 25270
634 1 6 . 1 1 17 17 ARG H H 17 8.324 8.324 7.591 0.733 25270
635 1 6 . 1 1 18 18 ALA N N 18 121.190 121.190 122.513 -1.323 25270
636 1 6 . 1 1 18 18 ALA HA H 18 4.256 4.256 3.995 0.261 25270
637 1 6 . 1 1 18 18 ALA CA C 18 54.700 54.700 55.001 -0.301 25270
638 1 6 . 1 1 18 18 ALA CB C 18 18.100 18.100 17.958 0.142 25270
639 1 6 . 1 1 18 18 ALA H H 18 7.914 7.914 7.549 0.365 25270
640 1 6 . 1 1 19 19 MET N N 19 117.090 117.090 118.038 -0.948 25270
641 1 6 . 1 1 19 19 MET HA H 19 4.221 4.221 4.024 0.197 25270
642 1 6 . 1 1 19 19 MET CA C 19 58.700 58.700 59.344 -0.644 25270
643 1 6 . 1 1 19 19 MET CB C 19 33.500 33.500 32.515 0.985 25270
644 1 6 . 1 1 19 19 MET H H 19 8.239 8.239 7.904 0.335 25270
645 1 6 . 1 1 20 20 LEU N N 20 117.790 117.790 118.584 -0.794 25270
646 1 6 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.045 0.251 25270
647 1 6 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.715 -0.815 25270
648 1 6 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.321 0.479 25270
649 1 6 . 1 1 20 20 LEU H H 20 8.238 8.238 7.591 0.647 25270
650 1 6 . 1 1 21 21 GLY N N 21 105.850 105.850 105.050 0.800 25270
651 1 6 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.347 -0.047 25270
652 1 6 . 1 1 21 21 GLY H H 21 8.036 8.036 8.214 -0.178 25270
653 1 6 . 1 1 22 22 SER N N 22 115.100 115.100 117.652 -2.552 25270
654 1 6 . 1 1 22 22 SER HA H 22 4.447 4.447 4.337 0.110 25270
655 1 6 . 1 1 22 22 SER CA C 22 59.700 59.700 59.841 -0.141 25270
656 1 6 . 1 1 22 22 SER CB C 22 63.700 63.700 63.927 -0.227 25270
657 1 6 . 1 1 22 22 SER H H 22 7.868 7.868 7.841 0.027 25270
658 1 6 . 1 1 23 23 PHE N N 23 119.750 119.750 123.913 -4.163 25270
659 1 6 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.383 0.273 25270
660 1 6 . 1 1 23 23 PHE CA C 23 58.100 58.100 58.619 -0.519 25270
661 1 6 . 1 1 23 23 PHE CB C 23 39.500 39.500 38.487 1.013 25270
662 1 6 . 1 1 23 23 PHE H H 23 7.855 7.855 7.743 0.112 25270
663 1 6 . 1 1 24 24 ARG N N 24 120.690 120.690 126.128 -5.438 25270
664 1 6 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.481 -0.051 25270
665 1 6 . 1 1 24 24 ARG CA C 24 56.100 56.100 54.441 1.659 25270
666 1 6 . 1 1 24 24 ARG CB C 24 31.200 31.200 32.202 -1.002 25270
667 1 6 . 1 1 24 24 ARG H H 24 7.903 7.903 7.822 0.081 25270
668 1 6 . 1 1 25 25 LYS N N 25 123.030 123.030 121.838 1.192 25270
669 1 6 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.107 0.339 25270
670 1 6 . 1 1 25 25 LYS CA C 25 56.100 56.100 56.163 -0.064 25270
671 1 6 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.621 0.679 25270
672 1 6 . 1 1 25 25 LYS H H 25 8.368 8.368 8.354 0.014 25270
673 1 7 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.280 0.146 25270
674 1 7 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.104 -0.004 25270
675 1 7 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.031 0.270 25270
676 1 7 . 1 1 3 3 PHE N N 3 120.310 120.310 121.403 -1.093 25270
677 1 7 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.252 0.289 25270
678 1 7 . 1 1 3 3 PHE CA C 3 59.200 59.200 60.454 -1.254 25270
679 1 7 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.496 1.004 25270
680 1 7 . 1 1 3 3 PHE H H 3 8.514 8.514 8.841 -0.327 25270
681 1 7 . 1 1 4 4 TYR N N 4 118.370 118.370 120.115 -1.745 25270
682 1 7 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.168 0.295 25270
683 1 7 . 1 1 4 4 TYR CA C 4 59.000 59.000 61.678 -2.678 25270
684 1 7 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.948 0.052 25270
685 1 7 . 1 1 4 4 TYR H H 4 7.919 7.919 8.500 -0.581 25270
686 1 7 . 1 1 5 5 THR N N 5 115.210 115.210 117.197 -1.987 25270
687 1 7 . 1 1 5 5 THR HA H 5 4.097 4.097 3.688 0.409 25270
688 1 7 . 1 1 5 5 THR CA C 5 64.420 64.420 66.745 -2.325 25270
689 1 7 . 1 1 5 5 THR CB C 5 69.000 69.000 68.542 0.458 25270
690 1 7 . 1 1 5 5 THR H H 5 7.791 7.791 7.709 0.082 25270
691 1 7 . 1 1 6 6 ILE N N 6 121.450 121.450 121.369 0.081 25270
692 1 7 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.673 0.268 25270
693 1 7 . 1 1 6 6 ILE CA C 6 63.700 63.700 65.076 -1.376 25270
694 1 7 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.602 0.197 25270
695 1 7 . 1 1 6 6 ILE H H 6 8.075 8.075 7.581 0.494 25270
696 1 7 . 1 1 7 7 LYS N N 7 120.790 120.790 120.657 0.133 25270
697 1 7 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.985 0.152 25270
698 1 7 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.799 -0.799 25270
699 1 7 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.507 -0.007 25270
700 1 7 . 1 1 7 7 LYS H H 7 7.960 7.960 7.784 0.176 25270
701 1 7 . 1 1 8 8 LEU N N 8 120.300 120.300 119.754 0.546 25270
702 1 7 . 1 1 8 8 LEU HA H 8 4.260 4.260 3.994 0.266 25270
703 1 7 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.550 0.450 25270
704 1 7 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.339 0.562 25270
705 1 7 . 1 1 8 8 LEU H H 8 8.230 8.230 8.024 0.206 25270
706 1 7 . 1 1 9 9 ALA N N 9 121.240 121.240 121.452 -0.212 25270
707 1 7 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.867 0.188 25270
708 1 7 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.444 0.456 25270
709 1 7 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.860 0.340 25270
710 1 7 . 1 1 9 9 ALA H H 9 8.453 8.453 8.259 0.194 25270
711 1 7 . 1 1 10 10 LYS N N 10 117.500 117.500 119.735 -2.235 25270
712 1 7 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.058 0.064 25270
713 1 7 . 1 1 10 10 LYS CA C 10 59.600 59.600 58.775 0.825 25270
714 1 7 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.330 -0.030 25270
715 1 7 . 1 1 10 10 LYS H H 10 8.250 8.250 7.787 0.463 25270
716 1 7 . 1 1 11 11 PHE N N 11 121.010 121.010 120.406 0.604 25270
717 1 7 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.173 0.348 25270
718 1 7 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.133 -0.533 25270
719 1 7 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.087 0.413 25270
720 1 7 . 1 1 11 11 PHE H H 11 8.190 8.190 7.789 0.401 25270
721 1 7 . 1 1 12 12 LEU N N 12 118.470 118.470 118.449 0.021 25270
722 1 7 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.764 0.230 25270
723 1 7 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.667 0.033 25270
724 1 7 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.385 0.315 25270
725 1 7 . 1 1 12 12 LEU H H 12 8.697 8.697 8.913 -0.216 25270
726 1 7 . 1 1 13 13 GLY N N 13 106.150 106.150 106.068 0.082 25270
727 1 7 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.271 0.329 25270
728 1 7 . 1 1 13 13 GLY H H 13 8.686 8.686 8.668 0.018 25270
729 1 7 . 1 1 14 14 GLY N N 14 108.600 108.600 110.012 -1.412 25270
730 1 7 . 1 1 14 14 GLY CA C 14 47.100 47.100 46.100 1.000 25270
731 1 7 . 1 1 14 14 GLY H H 14 8.050 8.050 7.543 0.507 25270
732 1 7 . 1 1 15 15 ILE N N 15 122.400 122.400 122.805 -0.405 25270
733 1 7 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.662 0.151 25270
734 1 7 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.426 0.074 25270
735 1 7 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.915 -0.515 25270
736 1 7 . 1 1 15 15 ILE H H 15 7.764 7.764 7.238 0.526 25270
737 1 7 . 1 1 16 16 VAL N N 16 119.610 119.610 120.617 -1.007 25270
738 1 7 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.576 0.049 25270
739 1 7 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.744 0.556 25270
740 1 7 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.912 -0.612 25270
741 1 7 . 1 1 16 16 VAL H H 16 8.133 8.133 8.798 -0.665 25270
742 1 7 . 1 1 17 17 ARG N N 17 118.380 118.380 119.668 -1.288 25270
743 1 7 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.000 -0.018 25270
744 1 7 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.526 1.574 25270
745 1 7 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.284 0.816 25270
746 1 7 . 1 1 17 17 ARG H H 17 8.324 8.324 7.586 0.738 25270
747 1 7 . 1 1 18 18 ALA N N 18 121.190 121.190 122.348 -1.158 25270
748 1 7 . 1 1 18 18 ALA HA H 18 4.256 4.256 3.994 0.262 25270
749 1 7 . 1 1 18 18 ALA CA C 18 54.700 54.700 55.034 -0.334 25270
750 1 7 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.294 -0.194 25270
751 1 7 . 1 1 18 18 ALA H H 18 7.914 7.914 7.455 0.459 25270
752 1 7 . 1 1 19 19 MET N N 19 117.090 117.090 118.305 -1.215 25270
753 1 7 . 1 1 19 19 MET HA H 19 4.221 4.221 4.063 0.158 25270
754 1 7 . 1 1 19 19 MET CA C 19 58.700 58.700 59.253 -0.553 25270
755 1 7 . 1 1 19 19 MET CB C 19 33.500 33.500 32.736 0.764 25270
756 1 7 . 1 1 19 19 MET H H 19 8.239 8.239 8.242 -0.003 25270
757 1 7 . 1 1 20 20 LEU N N 20 117.790 117.790 118.371 -0.581 25270
758 1 7 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.125 0.171 25270
759 1 7 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.900 -1.000 25270
760 1 7 . 1 1 20 20 LEU CB C 20 41.800 41.800 40.656 1.144 25270
761 1 7 . 1 1 20 20 LEU H H 20 8.238 8.238 8.371 -0.133 25270
762 1 7 . 1 1 21 21 GLY N N 21 105.850 105.850 105.783 0.067 25270
763 1 7 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.798 -0.498 25270
764 1 7 . 1 1 21 21 GLY H H 21 8.036 8.036 8.591 -0.555 25270
765 1 7 . 1 1 22 22 SER N N 22 115.100 115.100 115.249 -0.149 25270
766 1 7 . 1 1 22 22 SER HA H 22 4.447 4.447 4.418 0.029 25270
767 1 7 . 1 1 22 22 SER CA C 22 59.700 59.700 59.396 0.304 25270
768 1 7 . 1 1 22 22 SER CB C 22 63.700 63.700 63.805 -0.105 25270
769 1 7 . 1 1 22 22 SER H H 22 7.868 7.868 7.721 0.147 25270
770 1 7 . 1 1 23 23 PHE N N 23 119.750 119.750 122.512 -2.762 25270
771 1 7 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.223 0.433 25270
772 1 7 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.160 -2.060 25270
773 1 7 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.498 0.002 25270
774 1 7 . 1 1 23 23 PHE H H 23 7.855 7.855 7.538 0.317 25270
775 1 7 . 1 1 24 24 ARG N N 24 120.690 120.690 120.076 0.614 25270
776 1 7 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.169 0.261 25270
777 1 7 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.742 -0.642 25270
778 1 7 . 1 1 24 24 ARG CB C 24 31.200 31.200 30.047 1.153 25270
779 1 7 . 1 1 24 24 ARG H H 24 7.903 7.903 7.970 -0.067 25270
780 1 7 . 1 1 25 25 LYS N N 25 123.030 123.030 123.713 -0.683 25270
781 1 7 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.024 0.422 25270
782 1 7 . 1 1 25 25 LYS CA C 25 56.100 56.100 57.941 -1.841 25270
783 1 7 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.628 0.672 25270
784 1 7 . 1 1 25 25 LYS H H 25 8.368 8.368 8.297 0.071 25270
785 1 8 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.507 -0.081 25270
786 1 8 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.044 0.056 25270
787 1 8 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.830 0.470 25270
788 1 8 . 1 1 3 3 PHE N N 3 120.310 120.310 121.819 -1.509 25270
789 1 8 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.184 0.356 25270
790 1 8 . 1 1 3 3 PHE CA C 3 59.200 59.200 60.070 -0.870 25270
791 1 8 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.358 1.142 25270
792 1 8 . 1 1 3 3 PHE H H 3 8.514 8.514 8.733 -0.219 25270
793 1 8 . 1 1 4 4 TYR N N 4 118.370 118.370 120.135 -1.765 25270
794 1 8 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.088 0.375 25270
795 1 8 . 1 1 4 4 TYR CA C 4 59.000 59.000 61.275 -2.275 25270
796 1 8 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.542 0.458 25270
797 1 8 . 1 1 4 4 TYR H H 4 7.919 7.919 7.199 0.720 25270
798 1 8 . 1 1 5 5 THR N N 5 115.210 115.210 117.255 -2.045 25270
799 1 8 . 1 1 5 5 THR HA H 5 4.097 4.097 3.795 0.302 25270
800 1 8 . 1 1 5 5 THR CA C 5 64.420 64.420 67.279 -2.859 25270
801 1 8 . 1 1 5 5 THR CB C 5 69.000 69.000 68.155 0.845 25270
802 1 8 . 1 1 5 5 THR H H 5 7.791 7.791 7.686 0.105 25270
803 1 8 . 1 1 6 6 ILE N N 6 121.450 121.450 121.430 0.020 25270
804 1 8 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.639 0.302 25270
805 1 8 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.704 -1.004 25270
806 1 8 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.210 0.590 25270
807 1 8 . 1 1 6 6 ILE H H 6 8.075 8.075 7.537 0.538 25270
808 1 8 . 1 1 7 7 LYS N N 7 120.790 120.790 120.569 0.221 25270
809 1 8 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.975 0.162 25270
810 1 8 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.791 -0.791 25270
811 1 8 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.397 0.103 25270
812 1 8 . 1 1 7 7 LYS H H 7 7.960 7.960 7.422 0.538 25270
813 1 8 . 1 1 8 8 LEU N N 8 120.300 120.300 119.771 0.529 25270
814 1 8 . 1 1 8 8 LEU HA H 8 4.260 4.260 3.953 0.307 25270
815 1 8 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.628 0.372 25270
816 1 8 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.501 0.399 25270
817 1 8 . 1 1 8 8 LEU H H 8 8.230 8.230 7.847 0.383 25270
818 1 8 . 1 1 9 9 ALA N N 9 121.240 121.240 121.529 -0.289 25270
819 1 8 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.881 0.174 25270
820 1 8 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.415 0.485 25270
821 1 8 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.924 0.276 25270
822 1 8 . 1 1 9 9 ALA H H 9 8.453 8.453 8.562 -0.109 25270
823 1 8 . 1 1 10 10 LYS N N 10 117.500 117.500 119.272 -1.772 25270
824 1 8 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.043 0.079 25270
825 1 8 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.128 0.472 25270
826 1 8 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.527 -0.227 25270
827 1 8 . 1 1 10 10 LYS H H 10 8.250 8.250 7.715 0.535 25270
828 1 8 . 1 1 11 11 PHE N N 11 121.010 121.010 120.477 0.533 25270
829 1 8 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.142 0.379 25270
830 1 8 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.086 -0.486 25270
831 1 8 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.113 0.387 25270
832 1 8 . 1 1 11 11 PHE H H 11 8.190 8.190 7.748 0.442 25270
833 1 8 . 1 1 12 12 LEU N N 12 118.470 118.470 118.325 0.145 25270
834 1 8 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.801 0.193 25270
835 1 8 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.517 0.183 25270
836 1 8 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.453 0.247 25270
837 1 8 . 1 1 12 12 LEU H H 12 8.697 8.697 8.931 -0.234 25270
838 1 8 . 1 1 13 13 GLY N N 13 106.150 106.150 104.842 1.308 25270
839 1 8 . 1 1 13 13 GLY CA C 13 47.600 47.600 46.890 0.710 25270
840 1 8 . 1 1 13 13 GLY H H 13 8.686 8.686 8.618 0.068 25270
841 1 8 . 1 1 14 14 GLY N N 14 108.600 108.600 109.138 -0.538 25270
842 1 8 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.430 1.670 25270
843 1 8 . 1 1 14 14 GLY H H 14 8.050 8.050 7.262 0.788 25270
844 1 8 . 1 1 15 15 ILE N N 15 122.400 122.400 122.932 -0.532 25270
845 1 8 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.710 0.103 25270
846 1 8 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.002 0.498 25270
847 1 8 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.945 -0.545 25270
848 1 8 . 1 1 15 15 ILE H H 15 7.764 7.764 7.357 0.407 25270
849 1 8 . 1 1 16 16 VAL N N 16 119.610 119.610 120.821 -1.211 25270
850 1 8 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.613 0.012 25270
851 1 8 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.493 0.807 25270
852 1 8 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.912 -0.612 25270
853 1 8 . 1 1 16 16 VAL H H 16 8.133 8.133 8.603 -0.470 25270
854 1 8 . 1 1 17 17 ARG N N 17 118.380 118.380 119.500 -1.120 25270
855 1 8 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.043 -0.061 25270
856 1 8 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.696 1.405 25270
857 1 8 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.494 0.606 25270
858 1 8 . 1 1 17 17 ARG H H 17 8.324 8.324 7.940 0.384 25270
859 1 8 . 1 1 18 18 ALA N N 18 121.190 121.190 122.383 -1.193 25270
860 1 8 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.003 0.253 25270
861 1 8 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.943 -0.243 25270
862 1 8 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.016 0.084 25270
863 1 8 . 1 1 18 18 ALA H H 18 7.914 7.914 7.457 0.457 25270
864 1 8 . 1 1 19 19 MET N N 19 117.090 117.090 117.962 -0.872 25270
865 1 8 . 1 1 19 19 MET HA H 19 4.221 4.221 4.013 0.208 25270
866 1 8 . 1 1 19 19 MET CA C 19 58.700 58.700 59.255 -0.555 25270
867 1 8 . 1 1 19 19 MET CB C 19 33.500 33.500 32.579 0.921 25270
868 1 8 . 1 1 19 19 MET H H 19 8.239 8.239 8.008 0.231 25270
869 1 8 . 1 1 20 20 LEU N N 20 117.790 117.790 118.971 -1.181 25270
870 1 8 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.029 0.267 25270
871 1 8 . 1 1 20 20 LEU CA C 20 56.900 56.900 58.239 -1.339 25270
872 1 8 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.143 0.657 25270
873 1 8 . 1 1 20 20 LEU H H 20 8.238 8.238 7.575 0.663 25270
874 1 8 . 1 1 21 21 GLY N N 21 105.850 105.850 105.295 0.555 25270
875 1 8 . 1 1 21 21 GLY CA C 21 46.300 46.300 47.011 -0.711 25270
876 1 8 . 1 1 21 21 GLY H H 21 8.036 8.036 8.448 -0.412 25270
877 1 8 . 1 1 22 22 SER N N 22 115.100 115.100 115.232 -0.132 25270
878 1 8 . 1 1 22 22 SER HA H 22 4.447 4.447 4.509 -0.062 25270
879 1 8 . 1 1 22 22 SER CA C 22 59.700 59.700 58.714 0.986 25270
880 1 8 . 1 1 22 22 SER CB C 22 63.700 63.700 63.595 0.105 25270
881 1 8 . 1 1 22 22 SER H H 22 7.868 7.868 7.855 0.013 25270
882 1 8 . 1 1 23 23 PHE N N 23 119.750 119.750 122.164 -2.414 25270
883 1 8 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.241 0.415 25270
884 1 8 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.186 -2.086 25270
885 1 8 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.430 0.070 25270
886 1 8 . 1 1 23 23 PHE H H 23 7.855 7.855 7.778 0.077 25270
887 1 8 . 1 1 24 24 ARG N N 24 120.690 120.690 116.873 3.817 25270
888 1 8 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.004 0.426 25270
889 1 8 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.985 -0.885 25270
890 1 8 . 1 1 24 24 ARG CB C 24 31.200 31.200 29.753 1.447 25270
891 1 8 . 1 1 24 24 ARG H H 24 7.903 7.903 7.793 0.110 25270
892 1 8 . 1 1 25 25 LYS N N 25 123.030 123.030 121.031 1.999 25270
893 1 8 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.349 0.097 25270
894 1 8 . 1 1 25 25 LYS CA C 25 56.100 56.100 55.353 0.747 25270
895 1 8 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.632 -0.332 25270
896 1 8 . 1 1 25 25 LYS H H 25 8.368 8.368 8.167 0.201 25270
897 1 9 . 1 1 2 2 LYS HA H 2 4.426 4.426 4.325 0.101 25270
898 1 9 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.322 -0.222 25270
899 1 9 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.443 -0.143 25270
900 1 9 . 1 1 3 3 PHE N N 3 120.310 120.310 122.568 -2.258 25270
901 1 9 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.205 0.336 25270
902 1 9 . 1 1 3 3 PHE CA C 3 59.200 59.200 59.949 -0.749 25270
903 1 9 . 1 1 3 3 PHE CB C 3 39.500 39.500 37.741 1.759 25270
904 1 9 . 1 1 3 3 PHE H H 3 8.514 8.514 8.862 -0.348 25270
905 1 9 . 1 1 4 4 TYR N N 4 118.370 118.370 120.377 -2.007 25270
906 1 9 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.106 0.357 25270
907 1 9 . 1 1 4 4 TYR CA C 4 59.000 59.000 61.186 -2.186 25270
908 1 9 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.672 0.328 25270
909 1 9 . 1 1 4 4 TYR H H 4 7.919 7.919 7.375 0.544 25270
910 1 9 . 1 1 5 5 THR N N 5 115.210 115.210 117.517 -2.307 25270
911 1 9 . 1 1 5 5 THR HA H 5 4.097 4.097 3.528 0.569 25270
912 1 9 . 1 1 5 5 THR CA C 5 64.420 64.420 66.791 -2.371 25270
913 1 9 . 1 1 5 5 THR CB C 5 69.000 69.000 68.502 0.498 25270
914 1 9 . 1 1 5 5 THR H H 5 7.791 7.791 7.651 0.140 25270
915 1 9 . 1 1 6 6 ILE N N 6 121.450 121.450 121.413 0.037 25270
916 1 9 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.647 0.294 25270
917 1 9 . 1 1 6 6 ILE CA C 6 63.700 63.700 65.203 -1.503 25270
918 1 9 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.553 0.246 25270
919 1 9 . 1 1 6 6 ILE H H 6 8.075 8.075 7.484 0.591 25270
920 1 9 . 1 1 7 7 LYS N N 7 120.790 120.790 120.615 0.175 25270
921 1 9 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.994 0.143 25270
922 1 9 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.806 -0.806 25270
923 1 9 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.540 -0.040 25270
924 1 9 . 1 1 7 7 LYS H H 7 7.960 7.960 7.662 0.298 25270
925 1 9 . 1 1 8 8 LEU N N 8 120.300 120.300 119.793 0.507 25270
926 1 9 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.007 0.253 25270
927 1 9 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.544 0.456 25270
928 1 9 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.371 0.529 25270
929 1 9 . 1 1 8 8 LEU H H 8 8.230 8.230 7.969 0.261 25270
930 1 9 . 1 1 9 9 ALA N N 9 121.240 121.240 121.513 -0.273 25270
931 1 9 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.853 0.202 25270
932 1 9 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.464 0.436 25270
933 1 9 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.867 0.333 25270
934 1 9 . 1 1 9 9 ALA H H 9 8.453 8.453 8.300 0.153 25270
935 1 9 . 1 1 10 10 LYS N N 10 117.500 117.500 119.678 -2.178 25270
936 1 9 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.053 0.069 25270
937 1 9 . 1 1 10 10 LYS CA C 10 59.600 59.600 58.803 0.797 25270
938 1 9 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.334 -0.034 25270
939 1 9 . 1 1 10 10 LYS H H 10 8.250 8.250 7.751 0.499 25270
940 1 9 . 1 1 11 11 PHE N N 11 121.010 121.010 120.343 0.667 25270
941 1 9 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.173 0.348 25270
942 1 9 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.151 -0.551 25270
943 1 9 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.100 0.400 25270
944 1 9 . 1 1 11 11 PHE H H 11 8.190 8.190 7.757 0.433 25270
945 1 9 . 1 1 12 12 LEU N N 12 118.470 118.470 118.457 0.013 25270
946 1 9 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.790 0.204 25270
947 1 9 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.654 0.047 25270
948 1 9 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.428 0.272 25270
949 1 9 . 1 1 12 12 LEU H H 12 8.697 8.697 8.933 -0.236 25270
950 1 9 . 1 1 13 13 GLY N N 13 106.150 106.150 106.019 0.131 25270
951 1 9 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.206 0.394 25270
952 1 9 . 1 1 13 13 GLY H H 13 8.686 8.686 8.670 0.016 25270
953 1 9 . 1 1 14 14 GLY N N 14 108.600 108.600 109.925 -1.325 25270
954 1 9 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.980 1.120 25270
955 1 9 . 1 1 14 14 GLY H H 14 8.050 8.050 7.513 0.537 25270
956 1 9 . 1 1 15 15 ILE N N 15 122.400 122.400 122.614 -0.214 25270
957 1 9 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.716 0.096 25270
958 1 9 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.459 0.041 25270
959 1 9 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.905 -0.505 25270
960 1 9 . 1 1 15 15 ILE H H 15 7.764 7.764 7.246 0.518 25270
961 1 9 . 1 1 16 16 VAL N N 16 119.610 119.610 120.480 -0.870 25270
962 1 9 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.583 0.042 25270
963 1 9 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.726 0.574 25270
964 1 9 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.398 -0.098 25270
965 1 9 . 1 1 16 16 VAL H H 16 8.133 8.133 8.764 -0.631 25270
966 1 9 . 1 1 17 17 ARG N N 17 118.380 118.380 119.789 -1.409 25270
967 1 9 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.041 -0.059 25270
968 1 9 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.559 1.541 25270
969 1 9 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.470 0.630 25270
970 1 9 . 1 1 17 17 ARG H H 17 8.324 8.324 7.584 0.740 25270
971 1 9 . 1 1 18 18 ALA N N 18 121.190 121.190 122.472 -1.282 25270
972 1 9 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.035 0.221 25270
973 1 9 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.925 -0.225 25270
974 1 9 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.056 0.044 25270
975 1 9 . 1 1 18 18 ALA H H 18 7.914 7.914 7.465 0.449 25270
976 1 9 . 1 1 19 19 MET N N 19 117.090 117.090 117.989 -0.899 25270
977 1 9 . 1 1 19 19 MET HA H 19 4.221 4.221 4.033 0.188 25270
978 1 9 . 1 1 19 19 MET CA C 19 58.700 58.700 59.446 -0.746 25270
979 1 9 . 1 1 19 19 MET CB C 19 33.500 33.500 32.640 0.860 25270
980 1 9 . 1 1 19 19 MET H H 19 8.239 8.239 8.053 0.186 25270
981 1 9 . 1 1 20 20 LEU N N 20 117.790 117.790 117.998 -0.208 25270
982 1 9 . 1 1 20 20 LEU HA H 20 4.296 4.296 3.998 0.298 25270
983 1 9 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.306 -0.406 25270
984 1 9 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.516 0.284 25270
985 1 9 . 1 1 20 20 LEU H H 20 8.238 8.238 7.558 0.680 25270
986 1 9 . 1 1 21 21 GLY N N 21 105.850 105.850 104.974 0.876 25270
987 1 9 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.842 -0.542 25270
988 1 9 . 1 1 21 21 GLY H H 21 8.036 8.036 8.278 -0.242 25270
989 1 9 . 1 1 22 22 SER N N 22 115.100 115.100 117.236 -2.136 25270
990 1 9 . 1 1 22 22 SER HA H 22 4.447 4.447 4.237 0.210 25270
991 1 9 . 1 1 22 22 SER CA C 22 59.700 59.700 59.963 -0.263 25270
992 1 9 . 1 1 22 22 SER CB C 22 63.700 63.700 63.251 0.449 25270
993 1 9 . 1 1 22 22 SER H H 22 7.868 7.868 8.124 -0.256 25270
994 1 9 . 1 1 23 23 PHE N N 23 119.750 119.750 123.738 -3.988 25270
995 1 9 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.227 0.429 25270
996 1 9 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.556 -2.456 25270
997 1 9 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.497 0.003 25270
998 1 9 . 1 1 23 23 PHE H H 23 7.855 7.855 7.421 0.434 25270
999 1 9 . 1 1 24 24 ARG N N 24 120.690 120.690 119.948 0.742 25270
1000 1 9 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.069 0.361 25270
1001 1 9 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.784 -0.684 25270
1002 1 9 . 1 1 24 24 ARG CB C 24 31.200 31.200 29.410 1.790 25270
1003 1 9 . 1 1 24 24 ARG H H 24 7.903 7.903 7.960 -0.057 25270
1004 1 9 . 1 1 25 25 LYS N N 25 123.030 123.030 121.875 1.155 25270
1005 1 9 . 1 1 25 25 LYS HA H 25 4.446 4.446 3.900 0.546 25270
1006 1 9 . 1 1 25 25 LYS CA C 25 56.100 56.100 56.861 -0.761 25270
1007 1 9 . 1 1 25 25 LYS CB C 25 33.300 33.300 30.661 2.639 25270
1008 1 9 . 1 1 25 25 LYS H H 25 8.368 8.368 8.321 0.047 25270
1009 1 10 . 1 1 2 2 LYS HA H 2 4.426 4.426 3.838 0.588 25270
1010 1 10 . 1 1 2 2 LYS CA C 2 56.100 56.100 57.074 -0.974 25270
1011 1 10 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.464 0.836 25270
1012 1 10 . 1 1 3 3 PHE N N 3 120.310 120.310 116.808 3.502 25270
1013 1 10 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.460 0.081 25270
1014 1 10 . 1 1 3 3 PHE CA C 3 59.200 59.200 58.974 0.226 25270
1015 1 10 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.606 0.894 25270
1016 1 10 . 1 1 3 3 PHE H H 3 8.514 8.514 8.846 -0.332 25270
1017 1 10 . 1 1 4 4 TYR N N 4 118.370 118.370 121.183 -2.813 25270
1018 1 10 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.128 0.335 25270
1019 1 10 . 1 1 4 4 TYR CA C 4 59.000 59.000 61.736 -2.736 25270
1020 1 10 . 1 1 4 4 TYR CB C 4 38.000 38.000 38.139 -0.139 25270
1021 1 10 . 1 1 4 4 TYR H H 4 7.919 7.919 8.204 -0.285 25270
1022 1 10 . 1 1 5 5 THR N N 5 115.210 115.210 114.441 0.769 25270
1023 1 10 . 1 1 5 5 THR HA H 5 4.097 4.097 3.341 0.756 25270
1024 1 10 . 1 1 5 5 THR CA C 5 64.420 64.420 65.638 -1.218 25270
1025 1 10 . 1 1 5 5 THR CB C 5 69.000 69.000 67.954 1.046 25270
1026 1 10 . 1 1 5 5 THR H H 5 7.791 7.791 7.552 0.239 25270
1027 1 10 . 1 1 6 6 ILE N N 6 121.450 121.450 122.120 -0.670 25270
1028 1 10 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.664 0.277 25270
1029 1 10 . 1 1 6 6 ILE CA C 6 63.700 63.700 65.270 -1.570 25270
1030 1 10 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.552 0.248 25270
1031 1 10 . 1 1 6 6 ILE H H 6 8.075 8.075 7.842 0.233 25270
1032 1 10 . 1 1 7 7 LYS N N 7 120.790 120.790 120.690 0.100 25270
1033 1 10 . 1 1 7 7 LYS HA H 7 4.137 4.137 4.020 0.117 25270
1034 1 10 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.866 -0.866 25270
1035 1 10 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.499 0.001 25270
1036 1 10 . 1 1 7 7 LYS H H 7 7.960 7.960 7.946 0.014 25270
1037 1 10 . 1 1 8 8 LEU N N 8 120.300 120.300 119.807 0.493 25270
1038 1 10 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.099 0.161 25270
1039 1 10 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.604 0.396 25270
1040 1 10 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.594 0.306 25270
1041 1 10 . 1 1 8 8 LEU H H 8 8.230 8.230 8.130 0.100 25270
1042 1 10 . 1 1 9 9 ALA N N 9 121.240 121.240 122.002 -0.762 25270
1043 1 10 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.853 0.202 25270
1044 1 10 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.549 0.351 25270
1045 1 10 . 1 1 9 9 ALA CB C 9 18.200 18.200 18.024 0.176 25270
1046 1 10 . 1 1 9 9 ALA H H 9 8.453 8.453 8.398 0.055 25270
1047 1 10 . 1 1 10 10 LYS N N 10 117.500 117.500 118.954 -1.454 25270
1048 1 10 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.005 0.117 25270
1049 1 10 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.186 0.414 25270
1050 1 10 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.440 -0.140 25270
1051 1 10 . 1 1 10 10 LYS H H 10 8.250 8.250 7.791 0.459 25270
1052 1 10 . 1 1 11 11 PHE N N 11 121.010 121.010 121.056 -0.046 25270
1053 1 10 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.133 0.388 25270
1054 1 10 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.247 -0.647 25270
1055 1 10 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.095 0.405 25270
1056 1 10 . 1 1 11 11 PHE H H 11 8.190 8.190 7.858 0.332 25270
1057 1 10 . 1 1 12 12 LEU N N 12 118.470 118.470 118.244 0.226 25270
1058 1 10 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.787 0.207 25270
1059 1 10 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.644 0.056 25270
1060 1 10 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.448 0.252 25270
1061 1 10 . 1 1 12 12 LEU H H 12 8.697 8.697 8.902 -0.205 25270
1062 1 10 . 1 1 13 13 GLY N N 13 106.150 106.150 105.979 0.171 25270
1063 1 10 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.195 0.405 25270
1064 1 10 . 1 1 13 13 GLY H H 13 8.686 8.686 8.472 0.214 25270
1065 1 10 . 1 1 14 14 GLY N N 14 108.600 108.600 110.043 -1.443 25270
1066 1 10 . 1 1 14 14 GLY CA C 14 47.100 47.100 46.038 1.062 25270
1067 1 10 . 1 1 14 14 GLY H H 14 8.050 8.050 7.756 0.294 25270
1068 1 10 . 1 1 15 15 ILE N N 15 122.400 122.400 122.698 -0.298 25270
1069 1 10 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.694 0.119 25270
1070 1 10 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.593 -0.093 25270
1071 1 10 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.889 -0.488 25270
1072 1 10 . 1 1 15 15 ILE H H 15 7.764 7.764 7.321 0.443 25270
1073 1 10 . 1 1 16 16 VAL N N 16 119.610 119.610 120.286 -0.676 25270
1074 1 10 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.699 -0.074 25270
1075 1 10 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.319 0.981 25270
1076 1 10 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.439 -0.139 25270
1077 1 10 . 1 1 16 16 VAL H H 16 8.133 8.133 8.733 -0.600 25270
1078 1 10 . 1 1 17 17 ARG N N 17 118.380 118.380 119.793 -1.413 25270
1079 1 10 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.053 -0.071 25270
1080 1 10 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.539 1.561 25270
1081 1 10 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.528 0.572 25270
1082 1 10 . 1 1 17 17 ARG H H 17 8.324 8.324 7.549 0.775 25270
1083 1 10 . 1 1 18 18 ALA N N 18 121.190 121.190 122.493 -1.303 25270
1084 1 10 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.035 0.221 25270
1085 1 10 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.961 -0.261 25270
1086 1 10 . 1 1 18 18 ALA CB C 18 18.100 18.100 17.998 0.102 25270
1087 1 10 . 1 1 18 18 ALA H H 18 7.914 7.914 7.551 0.363 25270
1088 1 10 . 1 1 19 19 MET N N 19 117.090 117.090 118.344 -1.254 25270
1089 1 10 . 1 1 19 19 MET HA H 19 4.221 4.221 4.044 0.177 25270
1090 1 10 . 1 1 19 19 MET CA C 19 58.700 58.700 59.426 -0.726 25270
1091 1 10 . 1 1 19 19 MET CB C 19 33.500 33.500 32.602 0.898 25270
1092 1 10 . 1 1 19 19 MET H H 19 8.239 8.239 8.198 0.041 25270
1093 1 10 . 1 1 20 20 LEU N N 20 117.790 117.790 119.298 -1.508 25270
1094 1 10 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.140 0.156 25270
1095 1 10 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.906 -1.006 25270
1096 1 10 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.310 0.490 25270
1097 1 10 . 1 1 20 20 LEU H H 20 8.238 8.238 7.721 0.517 25270
1098 1 10 . 1 1 21 21 GLY N N 21 105.850 105.850 106.071 -0.221 25270
1099 1 10 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.642 -0.342 25270
1100 1 10 . 1 1 21 21 GLY H H 21 8.036 8.036 8.355 -0.319 25270
1101 1 10 . 1 1 22 22 SER N N 22 115.100 115.100 116.952 -1.852 25270
1102 1 10 . 1 1 22 22 SER HA H 22 4.447 4.447 4.262 0.185 25270
1103 1 10 . 1 1 22 22 SER CA C 22 59.700 59.700 60.173 -0.473 25270
1104 1 10 . 1 1 22 22 SER CB C 22 63.700 63.700 63.707 -0.007 25270
1105 1 10 . 1 1 22 22 SER H H 22 7.868 7.868 8.009 -0.141 25270
1106 1 10 . 1 1 23 23 PHE N N 23 119.750 119.750 124.917 -5.167 25270
1107 1 10 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.378 0.278 25270
1108 1 10 . 1 1 23 23 PHE CA C 23 58.100 58.100 57.603 0.496 25270
1109 1 10 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.334 0.166 25270
1110 1 10 . 1 1 23 23 PHE H H 23 7.855 7.855 7.767 0.088 25270
1111 1 10 . 1 1 24 24 ARG N N 24 120.690 120.690 126.911 -6.221 25270
1112 1 10 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.170 0.260 25270
1113 1 10 . 1 1 24 24 ARG CA C 24 56.100 56.100 55.741 0.359 25270
1114 1 10 . 1 1 24 24 ARG CB C 24 31.200 31.200 30.668 0.532 25270
1115 1 10 . 1 1 24 24 ARG H H 24 7.903 7.903 7.377 0.526 25270
1116 1 10 . 1 1 25 25 LYS N N 25 123.030 123.030 122.304 0.726 25270
1117 1 10 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.386 0.060 25270
1118 1 10 . 1 1 25 25 LYS CA C 25 56.100 56.100 56.057 0.043 25270
1119 1 10 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.479 0.821 25270
1120 1 10 . 1 1 25 25 LYS H H 25 8.368 8.368 8.111 0.257 25270
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 23 2.424 0.458 2.434 25270
2 1 1 "Average Difference" HA 25 0.223 -0.179 0.136 25270
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25270
4 1 1 "Average Difference" CA 24 1.071 0.218 1.071 25270
5 1 1 "Average Difference" CB 21 0.820 -0.341 0.764 25270
6 1 1 "Average Difference" HN 23 0.443 -0.184 0.412 25270
7 1 2 "Average Difference" N 23 1.654 0.040 1.691 25270
8 1 2 "Average Difference" HA 25 0.240 -0.198 0.139 25270
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25270
10 1 2 "Average Difference" CA 24 1.139 0.353 1.106 25270
11 1 2 "Average Difference" CB 21 0.604 -0.283 0.546 25270
12 1 2 "Average Difference" HN 23 0.458 -0.201 0.421 25270
13 1 3 "Average Difference" N 23 1.407 0.685 1.257 25270
14 1 3 "Average Difference" HA 25 0.234 -0.192 0.135 25270
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25270
16 1 3 "Average Difference" CA 24 1.137 0.126 1.155 25270
17 1 3 "Average Difference" CB 21 0.581 -0.350 0.475 25270
18 1 3 "Average Difference" HN 23 0.367 -0.112 0.358 25270
19 1 4 "Average Difference" N 23 1.188 0.456 1.122 25270
20 1 4 "Average Difference" HA 25 0.289 -0.223 0.187 25270
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25270
22 1 4 "Average Difference" CA 24 1.136 0.438 1.070 25270
23 1 4 "Average Difference" CB 21 0.765 -0.397 0.670 25270
24 1 4 "Average Difference" HN 23 0.412 -0.130 0.400 25270
25 1 5 "Average Difference" N 23 1.480 0.504 1.423 25270
26 1 5 "Average Difference" HA 25 0.210 -0.157 0.142 25270
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25270
28 1 5 "Average Difference" CA 24 1.093 0.217 1.094 25270
29 1 5 "Average Difference" CB 21 0.791 -0.411 0.692 25270
30 1 5 "Average Difference" HN 23 0.392 -0.160 0.366 25270
31 1 6 "Average Difference" N 23 1.753 0.909 1.533 25270
32 1 6 "Average Difference" HA 25 0.253 -0.203 0.154 25270
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25270
34 1 6 "Average Difference" CA 24 0.922 0.073 0.939 25270
35 1 6 "Average Difference" CB 21 0.659 -0.324 0.588 25270
36 1 6 "Average Difference" HN 23 0.387 -0.223 0.324 25270
37 1 7 "Average Difference" N 23 1.150 0.686 0.943 25270
38 1 7 "Average Difference" HA 25 0.247 -0.217 0.121 25270
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25270
40 1 7 "Average Difference" CA 24 1.150 0.429 1.090 25270
41 1 7 "Average Difference" CB 21 0.580 -0.319 0.496 25270
42 1 7 "Average Difference" HN 23 0.385 -0.098 0.381 25270
43 1 8 "Average Difference" N 23 1.425 0.324 1.419 25270
44 1 8 "Average Difference" HA 25 0.248 -0.190 0.161 25270
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25270
46 1 8 "Average Difference" CA 24 1.157 0.238 1.156 25270
47 1 8 "Average Difference" CB 21 0.611 -0.338 0.522 25270
48 1 8 "Average Difference" HN 23 0.414 -0.227 0.354 25270
49 1 9 "Average Difference" N 23 1.477 0.741 1.306 25270
50 1 9 "Average Difference" HA 25 0.285 -0.243 0.152 25270
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25270
52 1 9 "Average Difference" CA 24 1.072 0.378 1.025 25270
53 1 9 "Average Difference" CB 21 0.873 -0.488 0.742 25270
54 1 9 "Average Difference" HN 23 0.416 -0.207 0.369 25270
55 1 10 "Average Difference" N 23 2.125 0.918 1.959 25270
56 1 10 "Average Difference" HA 25 0.280 -0.217 0.180 25270
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25270
58 1 10 "Average Difference" CA 24 0.937 0.190 0.937 25270
59 1 10 "Average Difference" CB 21 0.520 -0.325 0.415 25270
60 1 10 "Average Difference" HN 23 0.352 -0.133 0.333 25270
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 25270
_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 LYS HA H 2 4.426 4.426 4.184 0.242 25270
2 1 . 1 1 2 2 LYS CA C 2 56.100 56.100 56.721 -0.621 25270
3 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.873 0.427 25270
4 1 . 1 1 3 3 PHE N N 3 120.310 120.310 119.079 1.231 25270
5 1 . 1 1 3 3 PHE HA H 3 4.541 4.541 4.259 0.281 25270
6 1 . 1 1 3 3 PHE CA C 3 59.200 59.200 60.112 -0.912 25270
7 1 . 1 1 3 3 PHE CB C 3 39.500 39.500 38.317 1.183 25270
8 1 . 1 1 3 3 PHE H H 3 8.514 8.514 8.536 -0.022 25270
9 1 . 1 1 4 4 TYR N N 4 118.370 118.370 119.263 -0.893 25270
10 1 . 1 1 4 4 TYR HA H 4 4.463 4.463 4.222 0.241 25270
11 1 . 1 1 4 4 TYR CA C 4 59.000 59.000 60.880 -1.880 25270
12 1 . 1 1 4 4 TYR CB C 4 38.000 38.000 37.429 0.571 25270
13 1 . 1 1 4 4 TYR H H 4 7.919 7.919 8.043 -0.124 25270
14 1 . 1 1 5 5 THR N N 5 115.210 115.210 116.845 -1.635 25270
15 1 . 1 1 5 5 THR HA H 5 4.097 4.097 3.655 0.442 25270
16 1 . 1 1 5 5 THR CA C 5 64.420 64.420 66.637 -2.217 25270
17 1 . 1 1 5 5 THR CB C 5 69.000 69.000 68.189 0.811 25270
18 1 . 1 1 5 5 THR H H 5 7.791 7.791 7.593 0.198 25270
19 1 . 1 1 6 6 ILE N N 6 121.450 121.450 121.525 -0.075 25270
20 1 . 1 1 6 6 ILE HA H 6 3.941 3.941 3.680 0.261 25270
21 1 . 1 1 6 6 ILE CA C 6 63.700 63.700 64.636 -0.936 25270
22 1 . 1 1 6 6 ILE CB C 6 37.800 37.800 37.451 0.349 25270
23 1 . 1 1 6 6 ILE H H 6 8.075 8.075 7.613 0.462 25270
24 1 . 1 1 7 7 LYS N N 7 120.790 120.790 120.602 0.188 25270
25 1 . 1 1 7 7 LYS HA H 7 4.137 4.137 3.982 0.155 25270
26 1 . 1 1 7 7 LYS CA C 7 59.000 59.000 59.822 -0.822 25270
27 1 . 1 1 7 7 LYS CB C 7 32.500 32.500 32.448 0.052 25270
28 1 . 1 1 7 7 LYS H H 7 7.960 7.960 7.538 0.422 25270
29 1 . 1 1 8 8 LEU N N 8 120.300 120.300 119.800 0.500 25270
30 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.038 0.222 25270
31 1 . 1 1 8 8 LEU CA C 8 58.000 58.000 57.633 0.367 25270
32 1 . 1 1 8 8 LEU CB C 8 41.900 41.900 41.536 0.364 25270
33 1 . 1 1 8 8 LEU H H 8 8.230 8.230 8.018 0.212 25270
34 1 . 1 1 9 9 ALA N N 9 121.240 121.240 121.738 -0.498 25270
35 1 . 1 1 9 9 ALA HA H 9 4.055 4.055 3.872 0.183 25270
36 1 . 1 1 9 9 ALA CA C 9 55.900 55.900 55.501 0.399 25270
37 1 . 1 1 9 9 ALA CB C 9 18.200 18.200 17.957 0.243 25270
38 1 . 1 1 9 9 ALA H H 9 8.453 8.453 8.382 0.071 25270
39 1 . 1 1 10 10 LYS N N 10 117.500 117.500 119.225 -1.725 25270
40 1 . 1 1 10 10 LYS HA H 10 4.122 4.122 4.031 0.091 25270
41 1 . 1 1 10 10 LYS CA C 10 59.600 59.600 59.022 0.578 25270
42 1 . 1 1 10 10 LYS CB C 10 32.300 32.300 32.406 -0.106 25270
43 1 . 1 1 10 10 LYS H H 10 8.250 8.250 7.788 0.462 25270
44 1 . 1 1 11 11 PHE N N 11 121.010 121.010 120.723 0.286 25270
45 1 . 1 1 11 11 PHE HA H 11 4.521 4.521 4.151 0.370 25270
46 1 . 1 1 11 11 PHE CA C 11 60.600 60.600 61.179 -0.580 25270
47 1 . 1 1 11 11 PHE CB C 11 39.500 39.500 39.105 0.395 25270
48 1 . 1 1 11 11 PHE H H 11 8.190 8.190 7.828 0.362 25270
49 1 . 1 1 12 12 LEU N N 12 118.470 118.470 118.373 0.097 25270
50 1 . 1 1 12 12 LEU HA H 12 3.994 3.994 3.807 0.187 25270
51 1 . 1 1 12 12 LEU CA C 12 57.700 57.700 57.631 0.069 25270
52 1 . 1 1 12 12 LEU CB C 12 41.700 41.700 41.448 0.252 25270
53 1 . 1 1 12 12 LEU H H 12 8.697 8.697 8.936 -0.238 25270
54 1 . 1 1 13 13 GLY N N 13 106.150 106.150 105.479 0.671 25270
55 1 . 1 1 13 13 GLY CA C 13 47.600 47.600 47.037 0.563 25270
56 1 . 1 1 13 13 GLY H H 13 8.686 8.686 8.617 0.069 25270
57 1 . 1 1 14 14 GLY N N 14 108.600 108.600 109.689 -1.089 25270
58 1 . 1 1 14 14 GLY CA C 14 47.100 47.100 45.749 1.351 25270
59 1 . 1 1 14 14 GLY H H 14 8.050 8.050 7.496 0.554 25270
60 1 . 1 1 15 15 ILE N N 15 122.400 122.400 122.816 -0.416 25270
61 1 . 1 1 15 15 ILE HA H 15 3.813 3.813 3.668 0.145 25270
62 1 . 1 1 15 15 ILE CA C 15 64.500 64.500 64.431 0.069 25270
63 1 . 1 1 15 15 ILE CB C 15 37.400 37.400 37.929 -0.529 25270
64 1 . 1 1 15 15 ILE H H 15 7.764 7.764 7.373 0.391 25270
65 1 . 1 1 16 16 VAL N N 16 119.610 119.610 120.509 -0.899 25270
66 1 . 1 1 16 16 VAL HA H 16 3.625 3.625 3.630 -0.005 25270
67 1 . 1 1 16 16 VAL CA C 16 67.300 67.300 66.488 0.812 25270
68 1 . 1 1 16 16 VAL CB C 16 31.300 31.300 31.769 -0.469 25270
69 1 . 1 1 16 16 VAL H H 16 8.133 8.133 8.690 -0.557 25270
70 1 . 1 1 17 17 ARG N N 17 118.380 118.380 119.470 -1.090 25270
71 1 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.037 -0.055 25270
72 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.529 1.571 25270
73 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.401 0.699 25270
74 1 . 1 1 17 17 ARG H H 17 8.324 8.324 7.795 0.529 25270
75 1 . 1 1 18 18 ALA N N 18 121.190 121.190 122.459 -1.269 25270
76 1 . 1 1 18 18 ALA HA H 18 4.256 4.256 4.012 0.244 25270
77 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.974 -0.274 25270
78 1 . 1 1 18 18 ALA CB C 18 18.100 18.100 18.079 0.021 25270
79 1 . 1 1 18 18 ALA H H 18 7.914 7.914 7.472 0.442 25270
80 1 . 1 1 19 19 MET N N 19 117.090 117.090 118.116 -1.026 25270
81 1 . 1 1 19 19 MET HA H 19 4.221 4.221 4.027 0.194 25270
82 1 . 1 1 19 19 MET CA C 19 58.700 58.700 59.339 -0.639 25270
83 1 . 1 1 19 19 MET CB C 19 33.500 33.500 32.593 0.906 25270
84 1 . 1 1 19 19 MET H H 19 8.239 8.239 8.100 0.139 25270
85 1 . 1 1 20 20 LEU N N 20 117.790 117.790 118.687 -0.897 25270
86 1 . 1 1 20 20 LEU HA H 20 4.296 4.296 4.056 0.240 25270
87 1 . 1 1 20 20 LEU CA C 20 56.900 56.900 57.803 -0.903 25270
88 1 . 1 1 20 20 LEU CB C 20 41.800 41.800 41.267 0.533 25270
89 1 . 1 1 20 20 LEU H H 20 8.238 8.238 7.682 0.556 25270
90 1 . 1 1 21 21 GLY N N 21 105.850 105.850 105.895 -0.045 25270
91 1 . 1 1 21 21 GLY CA C 21 46.300 46.300 46.828 -0.528 25270
92 1 . 1 1 21 21 GLY H H 21 8.036 8.036 8.432 -0.396 25270
93 1 . 1 1 22 22 SER N N 22 115.100 115.100 116.118 -1.018 25270
94 1 . 1 1 22 22 SER HA H 22 4.447 4.447 4.353 0.094 25270
95 1 . 1 1 22 22 SER CA C 22 59.700 59.700 59.730 -0.030 25270
96 1 . 1 1 22 22 SER CB C 22 63.700 63.700 63.664 0.036 25270
97 1 . 1 1 22 22 SER H H 22 7.868 7.868 7.881 -0.013 25270
98 1 . 1 1 23 23 PHE N N 23 119.750 119.750 123.115 -3.365 25270
99 1 . 1 1 23 23 PHE HA H 23 4.656 4.656 4.316 0.340 25270
100 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 59.277 -1.177 25270
101 1 . 1 1 23 23 PHE CB C 23 39.500 39.500 39.353 0.147 25270
102 1 . 1 1 23 23 PHE H H 23 7.855 7.855 7.725 0.130 25270
103 1 . 1 1 24 24 ARG N N 24 120.690 120.690 121.689 -0.999 25270
104 1 . 1 1 24 24 ARG HA H 24 4.430 4.430 4.223 0.207 25270
105 1 . 1 1 24 24 ARG CA C 24 56.100 56.100 56.042 0.058 25270
106 1 . 1 1 24 24 ARG CB C 24 31.200 31.200 30.284 0.916 25270
107 1 . 1 1 24 24 ARG H H 24 7.903 7.903 7.778 0.124 25270
108 1 . 1 1 25 25 LYS N N 25 123.030 123.030 122.223 0.807 25270
109 1 . 1 1 25 25 LYS HA H 25 4.446 4.446 4.163 0.283 25270
110 1 . 1 1 25 25 LYS CA C 25 56.100 56.100 56.802 -0.703 25270
111 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.591 0.709 25270
112 1 . 1 1 25 25 LYS H H 25 8.368 8.368 8.288 0.080 25270
stop_
save_