data_25866
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25866
_Entry.PDB_ID 2N8U
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 25866
_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 5 5 GLY N N 5 111.909 111.909 110.146 1.763 25866
2 1 1 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.310 1.139 25866
3 1 1 . 1 1 6 6 LEU N N 6 121.975 121.975 122.193 -0.218 25866
4 1 1 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.609 -0.069 25866
5 1 1 . 1 1 6 6 LEU CA C 6 52.250 52.250 52.943 -0.693 25866
6 1 1 . 1 1 6 6 LEU CB C 6 42.450 42.450 40.714 1.736 25866
7 1 1 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.507 0.193 25866
8 1 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.723 -0.523 25866
9 1 1 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.149 -1.449 25866
10 1 1 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.196 0.218 25866
11 1 1 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.641 -0.601 25866
12 1 1 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.098 0.686 25866
13 1 1 . 1 1 9 9 GLY N N 9 113.440 113.440 109.376 4.064 25866
14 1 1 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.703 0.756 25866
15 1 1 . 1 1 10 10 TRP N N 10 119.937 119.937 119.456 0.481 25866
16 1 1 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.385 0.181 25866
17 1 1 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.050 0.780 25866
18 1 1 . 1 1 10 10 TRP CB C 10 31.780 31.780 32.382 -0.602 25866
19 1 1 . 1 1 11 11 GLU N N 11 122.950 122.950 120.441 2.509 25866
20 1 1 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.696 -0.066 25866
21 1 1 . 1 1 11 11 GLU CA C 11 55.300 55.300 55.011 0.289 25866
22 1 1 . 1 1 11 11 GLU CB C 11 34.400 34.400 34.200 0.200 25866
23 1 1 . 1 1 12 12 GLU N N 12 127.188 127.188 125.829 1.359 25866
24 1 1 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.749 -0.201 25866
25 1 1 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.073 0.234 25866
26 1 1 . 1 1 12 12 GLU CB C 12 31.411 31.411 31.383 0.028 25866
27 1 1 . 1 1 13 13 LYS N N 13 128.411 128.411 126.618 1.793 25866
28 1 1 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.477 -0.159 25866
29 1 1 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.630 -0.460 25866
30 1 1 . 1 1 13 13 LYS CB C 13 35.204 35.204 35.429 -0.225 25866
31 1 1 . 1 1 14 14 GLN N N 14 117.310 117.310 121.541 -4.231 25866
32 1 1 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.252 0.938 25866
33 1 1 . 1 1 14 14 GLN CA C 14 54.560 54.560 55.253 -0.693 25866
34 1 1 . 1 1 14 14 GLN CB C 14 32.163 32.163 30.008 2.155 25866
35 1 1 . 1 1 15 15 ASP N N 15 124.496 124.496 120.525 3.971 25866
36 1 1 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.725 0.186 25866
37 1 1 . 1 1 15 15 ASP CA C 15 52.650 52.650 52.846 -0.196 25866
38 1 1 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.353 -1.226 25866
39 1 1 . 1 1 16 16 ASP N N 16 118.260 118.260 115.032 3.228 25866
40 1 1 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.464 -0.015 25866
41 1 1 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.154 -0.154 25866
42 1 1 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.936 -0.806 25866
43 1 1 . 1 1 17 17 ARG N N 17 120.200 120.200 119.621 0.579 25866
44 1 1 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.441 0.029 25866
45 1 1 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.076 -1.076 25866
46 1 1 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.915 -0.269 25866
47 1 1 . 1 1 18 18 GLY N N 18 109.972 109.972 106.621 3.351 25866
48 1 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.737 0.663 25866
49 1 1 . 1 1 19 19 ARG N N 19 124.040 124.040 122.228 1.812 25866
50 1 1 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.700 -0.206 25866
51 1 1 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.809 1.261 25866
52 1 1 . 1 1 19 19 ARG CB C 19 31.000 31.000 31.994 -0.994 25866
53 1 1 . 1 1 20 20 SER N N 20 121.540 121.540 120.239 1.301 25866
54 1 1 . 1 1 20 20 SER HA H 20 5.135 5.135 4.353 0.782 25866
55 1 1 . 1 1 20 20 SER CA C 20 59.487 59.487 57.504 1.983 25866
56 1 1 . 1 1 20 20 SER CB C 20 64.070 64.070 63.951 0.119 25866
57 1 1 . 1 1 21 21 TYR N N 21 120.900 120.900 122.265 -1.365 25866
58 1 1 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.807 0.585 25866
59 1 1 . 1 1 21 21 TYR CA C 21 55.700 55.700 55.091 0.609 25866
60 1 1 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.602 -0.356 25866
61 1 1 . 1 1 22 22 TYR N N 22 118.453 118.453 116.810 1.643 25866
62 1 1 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.012 0.187 25866
63 1 1 . 1 1 22 22 TYR CA C 22 57.093 57.093 56.749 0.344 25866
64 1 1 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.587 0.304 25866
65 1 1 . 1 1 23 23 VAL N N 23 123.096 123.096 124.063 -0.967 25866
66 1 1 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.532 -0.082 25866
67 1 1 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.811 -0.194 25866
68 1 1 . 1 1 23 23 VAL CB C 23 34.811 34.811 33.647 1.164 25866
69 1 1 . 1 1 24 24 ASP N N 24 126.236 126.236 129.724 -3.488 25866
70 1 1 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.535 -0.779 25866
71 1 1 . 1 1 24 24 ASP CA C 24 51.513 51.513 52.759 -1.246 25866
72 1 1 . 1 1 24 24 ASP CB C 24 39.372 39.372 41.757 -2.385 25866
73 1 1 . 1 1 25 25 HIS N N 25 124.507 124.507 125.161 -0.654 25866
74 1 1 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.312 -0.103 25866
75 1 1 . 1 1 25 25 HIS CA C 25 58.724 58.724 57.258 1.466 25866
76 1 1 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.402 -0.152 25866
77 1 1 . 1 1 26 26 ASN N N 26 117.758 117.758 118.823 -1.065 25866
78 1 1 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.468 0.079 25866
79 1 1 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.594 -0.294 25866
80 1 1 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.668 -0.068 25866
81 1 1 . 1 1 27 27 SER HA H 27 4.361 4.361 4.499 -0.138 25866
82 1 1 . 1 1 27 27 SER CA C 27 58.351 58.351 58.247 0.104 25866
83 1 1 . 1 1 27 27 SER CB C 27 64.420 64.420 64.137 0.283 25866
84 1 1 . 1 1 28 28 LYS N N 28 120.643 120.643 117.856 2.787 25866
85 1 1 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.074 -0.193 25866
86 1 1 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.219 -0.383 25866
87 1 1 . 1 1 28 28 LYS CB C 28 29.505 29.505 30.457 -0.952 25866
88 1 1 . 1 1 29 29 THR N N 29 113.963 113.963 115.614 -1.651 25866
89 1 1 . 1 1 29 29 THR HA H 29 4.460 4.460 4.537 -0.077 25866
90 1 1 . 1 1 29 29 THR CA C 29 61.338 61.338 61.089 0.249 25866
91 1 1 . 1 1 29 29 THR CB C 29 71.257 71.257 70.502 0.755 25866
92 1 1 . 1 1 30 30 THR N N 30 118.007 118.007 122.391 -4.384 25866
93 1 1 . 1 1 30 30 THR HA H 30 5.211 5.211 5.181 0.030 25866
94 1 1 . 1 1 30 30 THR CA C 30 61.015 61.015 61.384 -0.369 25866
95 1 1 . 1 1 30 30 THR CB C 30 71.260 71.260 68.681 2.579 25866
96 1 1 . 1 1 31 31 THR N N 31 119.453 119.453 119.345 0.108 25866
97 1 1 . 1 1 31 31 THR HA H 31 4.790 4.790 4.658 0.132 25866
98 1 1 . 1 1 31 31 THR CA C 31 59.882 59.882 60.874 -0.992 25866
99 1 1 . 1 1 31 31 THR CB C 31 70.113 70.113 71.731 -1.618 25866
100 1 1 . 1 1 32 32 TRP N N 32 125.784 125.784 123.017 2.767 25866
101 1 1 . 1 1 32 32 TRP HA H 32 4.882 4.882 5.148 -0.266 25866
102 1 1 . 1 1 32 32 TRP CA C 32 58.335 58.335 56.901 1.434 25866
103 1 1 . 1 1 32 32 TRP CB C 32 29.883 29.883 29.316 0.567 25866
104 1 1 . 1 1 33 33 SER N N 33 118.326 118.326 118.947 -0.621 25866
105 1 1 . 1 1 33 33 SER HA H 33 4.604 4.604 4.772 -0.168 25866
106 1 1 . 1 1 33 33 SER CA C 33 57.210 57.210 56.900 0.310 25866
107 1 1 . 1 1 33 33 SER CB C 33 64.000 64.000 65.104 -1.104 25866
108 1 1 . 1 1 34 34 LYS N N 34 128.842 128.842 124.029 4.813 25866
109 1 1 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.105 -1.195 25866
110 1 1 . 1 1 34 34 LYS CA C 34 54.548 54.548 53.733 0.814 25866
111 1 1 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.218 0.334 25866
112 1 1 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.251 1.839 25866
113 1 1 . 1 1 35 35 PRO CA C 35 62.200 62.200 62.315 -0.115 25866
114 1 1 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.454 -0.047 25866
115 1 1 . 1 1 36 36 THR N N 36 114.599 114.599 114.778 -0.179 25866
116 1 1 . 1 1 36 36 THR HA H 36 4.180 4.180 4.099 0.081 25866
117 1 1 . 1 1 36 36 THR CA C 36 61.012 61.012 66.424 -5.412 25866
118 1 1 . 1 1 36 36 THR CB C 36 70.447 70.447 69.106 1.341 25866
119 1 1 . 1 1 37 37 MET N N 37 123.290 123.290 120.909 2.381 25866
120 1 1 . 1 1 37 37 MET HA H 37 4.345 4.345 4.537 -0.192 25866
121 1 1 . 1 1 37 37 MET CA C 37 55.320 55.320 55.009 0.311 25866
122 1 1 . 1 1 37 37 MET CB C 37 32.540 32.540 32.782 -0.242 25866
123 1 1 . 1 1 38 38 GLU N N 38 123.080 123.080 125.616 -2.536 25866
124 1 1 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.153 0.217 25866
125 1 1 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.649 -0.995 25866
126 1 1 . 1 1 38 38 GLU CB C 38 29.889 29.889 29.283 0.606 25866
127 1 2 . 1 1 5 5 GLY N N 5 111.909 111.909 113.721 -1.812 25866
128 1 2 . 1 1 5 5 GLY CA C 5 45.449 45.449 45.797 -0.348 25866
129 1 2 . 1 1 6 6 LEU N N 6 121.975 121.975 123.363 -1.388 25866
130 1 2 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.865 -0.325 25866
131 1 2 . 1 1 6 6 LEU CA C 6 52.250 52.250 52.066 0.185 25866
132 1 2 . 1 1 6 6 LEU CB C 6 42.450 42.450 41.873 0.577 25866
133 1 2 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.587 0.113 25866
134 1 2 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.740 -0.540 25866
135 1 2 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.140 -1.440 25866
136 1 2 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.243 0.171 25866
137 1 2 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.370 -0.330 25866
138 1 2 . 1 1 8 8 PRO CB C 8 31.784 31.784 30.959 0.825 25866
139 1 2 . 1 1 9 9 GLY N N 9 113.440 113.440 109.861 3.579 25866
140 1 2 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.766 0.694 25866
141 1 2 . 1 1 10 10 TRP N N 10 119.937 119.937 119.288 0.649 25866
142 1 2 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.370 0.196 25866
143 1 2 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.097 0.733 25866
144 1 2 . 1 1 10 10 TRP CB C 10 31.780 31.780 32.879 -1.099 25866
145 1 2 . 1 1 11 11 GLU N N 11 122.950 122.950 121.471 1.479 25866
146 1 2 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.751 -0.121 25866
147 1 2 . 1 1 11 11 GLU CA C 11 55.300 55.300 55.693 -0.393 25866
148 1 2 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.690 0.710 25866
149 1 2 . 1 1 12 12 GLU N N 12 127.188 127.188 126.696 0.492 25866
150 1 2 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.854 -0.306 25866
151 1 2 . 1 1 12 12 GLU CA C 12 55.307 55.307 56.217 -0.910 25866
152 1 2 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.328 1.083 25866
153 1 2 . 1 1 13 13 LYS N N 13 128.411 128.411 126.074 2.337 25866
154 1 2 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.450 -0.132 25866
155 1 2 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.279 -0.109 25866
156 1 2 . 1 1 13 13 LYS CB C 13 35.204 35.204 36.250 -1.046 25866
157 1 2 . 1 1 14 14 GLN N N 14 117.310 117.310 120.706 -3.396 25866
158 1 2 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.550 0.640 25866
159 1 2 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.771 0.789 25866
160 1 2 . 1 1 14 14 GLN CB C 14 32.163 32.163 31.182 0.981 25866
161 1 2 . 1 1 15 15 ASP N N 15 124.496 124.496 122.401 2.095 25866
162 1 2 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.760 0.151 25866
163 1 2 . 1 1 15 15 ASP CA C 15 52.650 52.650 54.680 -2.030 25866
164 1 2 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.114 -0.987 25866
165 1 2 . 1 1 16 16 ASP N N 16 118.260 118.260 119.525 -1.265 25866
166 1 2 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.504 -0.055 25866
167 1 2 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.508 -0.508 25866
168 1 2 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.672 -0.542 25866
169 1 2 . 1 1 17 17 ARG N N 17 120.200 120.200 117.547 2.653 25866
170 1 2 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.420 0.050 25866
171 1 2 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.009 -1.009 25866
172 1 2 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.003 0.643 25866
173 1 2 . 1 1 18 18 GLY N N 18 109.972 109.972 106.752 3.220 25866
174 1 2 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.140 0.260 25866
175 1 2 . 1 1 19 19 ARG N N 19 124.040 124.040 121.243 2.797 25866
176 1 2 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.499 -0.005 25866
177 1 2 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.999 1.071 25866
178 1 2 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.329 0.671 25866
179 1 2 . 1 1 20 20 SER N N 20 121.540 121.540 120.420 1.120 25866
180 1 2 . 1 1 20 20 SER HA H 20 5.135 5.135 4.389 0.746 25866
181 1 2 . 1 1 20 20 SER CA C 20 59.487 59.487 57.500 1.987 25866
182 1 2 . 1 1 20 20 SER CB C 20 64.070 64.070 63.580 0.490 25866
183 1 2 . 1 1 21 21 TYR N N 21 120.900 120.900 124.254 -3.354 25866
184 1 2 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.727 0.665 25866
185 1 2 . 1 1 21 21 TYR CA C 21 55.700 55.700 53.951 1.749 25866
186 1 2 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.693 -0.447 25866
187 1 2 . 1 1 22 22 TYR N N 22 118.453 118.453 116.217 2.236 25866
188 1 2 . 1 1 22 22 TYR HA H 22 5.199 5.199 4.885 0.314 25866
189 1 2 . 1 1 22 22 TYR CA C 22 57.093 57.093 55.963 1.130 25866
190 1 2 . 1 1 22 22 TYR CB C 22 40.891 40.891 39.772 1.119 25866
191 1 2 . 1 1 23 23 VAL N N 23 123.096 123.096 124.580 -1.484 25866
192 1 2 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.235 0.215 25866
193 1 2 . 1 1 23 23 VAL CA C 23 60.617 60.617 61.476 -0.859 25866
194 1 2 . 1 1 23 23 VAL CB C 23 34.811 34.811 31.166 3.645 25866
195 1 2 . 1 1 24 24 ASP N N 24 126.236 126.236 128.201 -1.965 25866
196 1 2 . 1 1 24 24 ASP HA H 24 3.756 3.756 3.933 -0.177 25866
197 1 2 . 1 1 24 24 ASP CA C 24 51.513 51.513 53.287 -1.774 25866
198 1 2 . 1 1 24 24 ASP CB C 24 39.372 39.372 41.140 -1.768 25866
199 1 2 . 1 1 25 25 HIS N N 25 124.507 124.507 125.875 -1.368 25866
200 1 2 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.356 -0.147 25866
201 1 2 . 1 1 25 25 HIS CA C 25 58.724 58.724 57.977 0.747 25866
202 1 2 . 1 1 25 25 HIS CB C 25 30.250 30.250 29.791 0.459 25866
203 1 2 . 1 1 26 26 ASN N N 26 117.758 117.758 118.464 -0.706 25866
204 1 2 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.473 0.074 25866
205 1 2 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.224 0.076 25866
206 1 2 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.663 -0.063 25866
207 1 2 . 1 1 27 27 SER HA H 27 4.361 4.361 4.473 -0.112 25866
208 1 2 . 1 1 27 27 SER CA C 27 58.351 58.351 58.087 0.264 25866
209 1 2 . 1 1 27 27 SER CB C 27 64.420 64.420 64.294 0.126 25866
210 1 2 . 1 1 28 28 LYS N N 28 120.643 120.643 119.365 1.278 25866
211 1 2 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.032 -0.151 25866
212 1 2 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.109 -0.273 25866
213 1 2 . 1 1 28 28 LYS CB C 28 29.505 29.505 30.055 -0.550 25866
214 1 2 . 1 1 29 29 THR N N 29 113.963 113.963 115.809 -1.846 25866
215 1 2 . 1 1 29 29 THR HA H 29 4.460 4.460 4.463 -0.003 25866
216 1 2 . 1 1 29 29 THR CA C 29 61.338 61.338 60.755 0.583 25866
217 1 2 . 1 1 29 29 THR CB C 29 71.257 71.257 70.793 0.464 25866
218 1 2 . 1 1 30 30 THR N N 30 118.007 118.007 123.164 -5.157 25866
219 1 2 . 1 1 30 30 THR HA H 30 5.211 5.211 4.624 0.587 25866
220 1 2 . 1 1 30 30 THR CA C 30 61.015 61.015 61.887 -0.872 25866
221 1 2 . 1 1 30 30 THR CB C 30 71.260 71.260 69.178 2.082 25866
222 1 2 . 1 1 31 31 THR N N 31 119.453 119.453 119.511 -0.058 25866
223 1 2 . 1 1 31 31 THR HA H 31 4.790 4.790 4.498 0.292 25866
224 1 2 . 1 1 31 31 THR CA C 31 59.882 59.882 60.791 -0.909 25866
225 1 2 . 1 1 31 31 THR CB C 31 70.113 70.113 70.639 -0.526 25866
226 1 2 . 1 1 32 32 TRP N N 32 125.784 125.784 123.470 2.314 25866
227 1 2 . 1 1 32 32 TRP HA H 32 4.882 4.882 5.077 -0.195 25866
228 1 2 . 1 1 32 32 TRP CA C 32 58.335 58.335 57.184 1.151 25866
229 1 2 . 1 1 32 32 TRP CB C 32 29.883 29.883 29.380 0.503 25866
230 1 2 . 1 1 33 33 SER N N 33 118.326 118.326 119.173 -0.847 25866
231 1 2 . 1 1 33 33 SER HA H 33 4.604 4.604 4.839 -0.235 25866
232 1 2 . 1 1 33 33 SER CA C 33 57.210 57.210 57.222 -0.012 25866
233 1 2 . 1 1 33 33 SER CB C 33 64.000 64.000 66.482 -2.482 25866
234 1 2 . 1 1 34 34 LYS N N 34 128.842 128.842 123.393 5.449 25866
235 1 2 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.145 -1.235 25866
236 1 2 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.717 -0.169 25866
237 1 2 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.348 0.204 25866
238 1 2 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.118 1.972 25866
239 1 2 . 1 1 35 35 PRO CA C 35 62.200 62.200 60.901 1.299 25866
240 1 2 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.731 -0.324 25866
241 1 2 . 1 1 36 36 THR N N 36 114.599 114.599 116.199 -1.600 25866
242 1 2 . 1 1 36 36 THR HA H 36 4.180 4.180 4.279 -0.099 25866
243 1 2 . 1 1 36 36 THR CA C 36 61.012 61.012 64.204 -3.192 25866
244 1 2 . 1 1 36 36 THR CB C 36 70.447 70.447 67.200 3.247 25866
245 1 2 . 1 1 37 37 MET N N 37 123.290 123.290 126.125 -2.835 25866
246 1 2 . 1 1 37 37 MET HA H 37 4.345 4.345 4.507 -0.162 25866
247 1 2 . 1 1 37 37 MET CA C 37 55.320 55.320 54.945 0.375 25866
248 1 2 . 1 1 37 37 MET CB C 37 32.540 32.540 34.992 -2.452 25866
249 1 2 . 1 1 38 38 GLU N N 38 123.080 123.080 124.800 -1.720 25866
250 1 2 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.409 -0.039 25866
251 1 2 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.802 -1.148 25866
252 1 2 . 1 1 38 38 GLU CB C 38 29.889 29.889 30.527 -0.638 25866
253 1 3 . 1 1 5 5 GLY N N 5 111.909 111.909 108.843 3.066 25866
254 1 3 . 1 1 5 5 GLY CA C 5 45.449 45.449 45.479 -0.030 25866
255 1 3 . 1 1 6 6 LEU N N 6 121.975 121.975 122.430 -0.455 25866
256 1 3 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.856 -0.316 25866
257 1 3 . 1 1 6 6 LEU CA C 6 52.250 52.250 52.003 0.247 25866
258 1 3 . 1 1 6 6 LEU CB C 6 42.450 42.450 41.587 0.863 25866
259 1 3 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.622 0.078 25866
260 1 3 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.680 -0.480 25866
261 1 3 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.235 -1.535 25866
262 1 3 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.293 0.121 25866
263 1 3 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.407 -0.367 25866
264 1 3 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.308 0.476 25866
265 1 3 . 1 1 9 9 GLY N N 9 113.440 113.440 110.129 3.311 25866
266 1 3 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.992 0.468 25866
267 1 3 . 1 1 10 10 TRP N N 10 119.937 119.937 119.880 0.057 25866
268 1 3 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.265 0.301 25866
269 1 3 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.134 0.696 25866
270 1 3 . 1 1 10 10 TRP CB C 10 31.780 31.780 32.944 -1.164 25866
271 1 3 . 1 1 11 11 GLU N N 11 122.950 122.950 119.430 3.520 25866
272 1 3 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.719 -0.089 25866
273 1 3 . 1 1 11 11 GLU CA C 11 55.300 55.300 55.393 -0.093 25866
274 1 3 . 1 1 11 11 GLU CB C 11 34.400 34.400 34.103 0.297 25866
275 1 3 . 1 1 12 12 GLU N N 12 127.188 127.188 126.987 0.201 25866
276 1 3 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.743 -0.195 25866
277 1 3 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.990 -0.683 25866
278 1 3 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.754 0.657 25866
279 1 3 . 1 1 13 13 LYS N N 13 128.411 128.411 127.272 1.139 25866
280 1 3 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.456 -0.138 25866
281 1 3 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.058 0.112 25866
282 1 3 . 1 1 13 13 LYS CB C 13 35.204 35.204 34.910 0.294 25866
283 1 3 . 1 1 14 14 GLN N N 14 117.310 117.310 122.265 -4.955 25866
284 1 3 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.351 0.839 25866
285 1 3 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.173 0.387 25866
286 1 3 . 1 1 14 14 GLN CB C 14 32.163 32.163 30.275 1.888 25866
287 1 3 . 1 1 15 15 ASP N N 15 124.496 124.496 122.651 1.845 25866
288 1 3 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.640 0.271 25866
289 1 3 . 1 1 15 15 ASP CA C 15 52.650 52.650 55.314 -2.664 25866
290 1 3 . 1 1 15 15 ASP CB C 15 41.127 41.127 41.889 -0.762 25866
291 1 3 . 1 1 16 16 ASP N N 16 118.260 118.260 119.180 -0.920 25866
292 1 3 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.432 0.017 25866
293 1 3 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.412 -0.412 25866
294 1 3 . 1 1 16 16 ASP CB C 16 40.130 40.130 41.036 -0.906 25866
295 1 3 . 1 1 17 17 ARG N N 17 120.200 120.200 116.883 3.317 25866
296 1 3 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.386 0.084 25866
297 1 3 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.018 -1.018 25866
298 1 3 . 1 1 17 17 ARG CB C 17 30.646 30.646 29.541 1.105 25866
299 1 3 . 1 1 18 18 GLY N N 18 109.972 109.972 108.393 1.579 25866
300 1 3 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.926 0.474 25866
301 1 3 . 1 1 19 19 ARG N N 19 124.040 124.040 122.183 1.857 25866
302 1 3 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.392 0.102 25866
303 1 3 . 1 1 19 19 ARG CA C 19 56.070 56.070 55.894 0.176 25866
304 1 3 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.451 0.548 25866
305 1 3 . 1 1 20 20 SER N N 20 121.540 121.540 120.945 0.595 25866
306 1 3 . 1 1 20 20 SER HA H 20 5.135 5.135 4.440 0.695 25866
307 1 3 . 1 1 20 20 SER CA C 20 59.487 59.487 57.355 2.132 25866
308 1 3 . 1 1 20 20 SER CB C 20 64.070 64.070 63.282 0.788 25866
309 1 3 . 1 1 21 21 TYR N N 21 120.900 120.900 122.726 -1.826 25866
310 1 3 . 1 1 21 21 TYR HA H 21 4.392 4.392 4.009 0.383 25866
311 1 3 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.692 1.008 25866
312 1 3 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.464 -0.218 25866
313 1 3 . 1 1 22 22 TYR N N 22 118.453 118.453 116.569 1.884 25866
314 1 3 . 1 1 22 22 TYR HA H 22 5.199 5.199 4.947 0.252 25866
315 1 3 . 1 1 22 22 TYR CA C 22 57.093 57.093 56.643 0.450 25866
316 1 3 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.039 -0.148 25866
317 1 3 . 1 1 23 23 VAL N N 23 123.096 123.096 118.808 4.288 25866
318 1 3 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.409 0.041 25866
319 1 3 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.716 -0.099 25866
320 1 3 . 1 1 23 23 VAL CB C 23 34.811 34.811 32.546 2.265 25866
321 1 3 . 1 1 24 24 ASP N N 24 126.236 126.236 126.084 0.152 25866
322 1 3 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.321 -0.565 25866
323 1 3 . 1 1 24 24 ASP CA C 24 51.513 51.513 52.234 -0.721 25866
324 1 3 . 1 1 24 24 ASP CB C 24 39.372 39.372 42.352 -2.980 25866
325 1 3 . 1 1 25 25 HIS N N 25 124.507 124.507 124.854 -0.347 25866
326 1 3 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.367 -0.158 25866
327 1 3 . 1 1 25 25 HIS CA C 25 58.724 58.724 57.846 0.878 25866
328 1 3 . 1 1 25 25 HIS CB C 25 30.250 30.250 29.849 0.401 25866
329 1 3 . 1 1 26 26 ASN N N 26 117.758 117.758 116.985 0.773 25866
330 1 3 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.492 0.056 25866
331 1 3 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.716 -0.416 25866
332 1 3 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.844 -0.244 25866
333 1 3 . 1 1 27 27 SER HA H 27 4.361 4.361 4.447 -0.086 25866
334 1 3 . 1 1 27 27 SER CA C 27 58.351 58.351 57.698 0.653 25866
335 1 3 . 1 1 27 27 SER CB C 27 64.420 64.420 63.480 0.940 25866
336 1 3 . 1 1 28 28 LYS N N 28 120.643 120.643 118.645 1.998 25866
337 1 3 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.099 -0.218 25866
338 1 3 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.109 -0.273 25866
339 1 3 . 1 1 28 28 LYS CB C 28 29.505 29.505 30.113 -0.608 25866
340 1 3 . 1 1 29 29 THR N N 29 113.963 113.963 112.340 1.623 25866
341 1 3 . 1 1 29 29 THR HA H 29 4.460 4.460 4.565 -0.105 25866
342 1 3 . 1 1 29 29 THR CA C 29 61.338 61.338 59.980 1.359 25866
343 1 3 . 1 1 29 29 THR CB C 29 71.257 71.257 70.704 0.553 25866
344 1 3 . 1 1 30 30 THR N N 30 118.007 118.007 118.612 -0.605 25866
345 1 3 . 1 1 30 30 THR HA H 30 5.211 5.211 4.833 0.378 25866
346 1 3 . 1 1 30 30 THR CA C 30 61.015 61.015 61.559 -0.544 25866
347 1 3 . 1 1 30 30 THR CB C 30 71.260 71.260 69.445 1.815 25866
348 1 3 . 1 1 31 31 THR N N 31 119.453 119.453 121.118 -1.665 25866
349 1 3 . 1 1 31 31 THR HA H 31 4.790 4.790 4.588 0.202 25866
350 1 3 . 1 1 31 31 THR CA C 31 59.882 59.882 60.735 -0.853 25866
351 1 3 . 1 1 31 31 THR CB C 31 70.113 70.113 70.260 -0.147 25866
352 1 3 . 1 1 32 32 TRP N N 32 125.784 125.784 122.792 2.992 25866
353 1 3 . 1 1 32 32 TRP HA H 32 4.882 4.882 5.084 -0.202 25866
354 1 3 . 1 1 32 32 TRP CA C 32 58.335 58.335 56.537 1.798 25866
355 1 3 . 1 1 32 32 TRP CB C 32 29.883 29.883 29.191 0.692 25866
356 1 3 . 1 1 33 33 SER N N 33 118.326 118.326 118.382 -0.056 25866
357 1 3 . 1 1 33 33 SER HA H 33 4.604 4.604 4.775 -0.171 25866
358 1 3 . 1 1 33 33 SER CA C 33 57.210 57.210 57.166 0.044 25866
359 1 3 . 1 1 33 33 SER CB C 33 64.000 64.000 65.367 -1.367 25866
360 1 3 . 1 1 34 34 LYS N N 34 128.842 128.842 124.917 3.925 25866
361 1 3 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.190 -1.280 25866
362 1 3 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.187 0.361 25866
363 1 3 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.132 0.420 25866
364 1 3 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.066 2.024 25866
365 1 3 . 1 1 35 35 PRO CA C 35 62.200 62.200 61.781 0.419 25866
366 1 3 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.384 0.023 25866
367 1 3 . 1 1 36 36 THR N N 36 114.599 114.599 113.536 1.063 25866
368 1 3 . 1 1 36 36 THR HA H 36 4.180 4.180 4.032 0.148 25866
369 1 3 . 1 1 36 36 THR CA C 36 61.012 61.012 62.357 -1.345 25866
370 1 3 . 1 1 36 36 THR CB C 36 70.447 70.447 68.844 1.603 25866
371 1 3 . 1 1 37 37 MET N N 37 123.290 123.290 124.214 -0.924 25866
372 1 3 . 1 1 37 37 MET HA H 37 4.345 4.345 4.179 0.166 25866
373 1 3 . 1 1 37 37 MET CA C 37 55.320 55.320 58.920 -3.600 25866
374 1 3 . 1 1 37 37 MET CB C 37 32.540 32.540 33.138 -0.598 25866
375 1 3 . 1 1 38 38 GLU N N 38 123.080 123.080 118.010 5.070 25866
376 1 3 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.497 -0.127 25866
377 1 3 . 1 1 38 38 GLU CA C 38 55.654 55.654 55.564 0.090 25866
378 1 3 . 1 1 38 38 GLU CB C 38 29.889 29.889 30.599 -0.710 25866
379 1 4 . 1 1 5 5 GLY N N 5 111.909 111.909 109.930 1.979 25866
380 1 4 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.325 1.124 25866
381 1 4 . 1 1 6 6 LEU N N 6 121.975 121.975 118.891 3.084 25866
382 1 4 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.846 -0.306 25866
383 1 4 . 1 1 6 6 LEU CA C 6 52.250 52.250 51.947 0.303 25866
384 1 4 . 1 1 6 6 LEU CB C 6 42.450 42.450 41.995 0.455 25866
385 1 4 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.498 0.202 25866
386 1 4 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.891 -0.690 25866
387 1 4 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.709 -1.009 25866
388 1 4 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.141 0.273 25866
389 1 4 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.767 -0.727 25866
390 1 4 . 1 1 8 8 PRO CB C 8 31.784 31.784 30.132 1.652 25866
391 1 4 . 1 1 9 9 GLY N N 9 113.440 113.440 108.765 4.675 25866
392 1 4 . 1 1 9 9 GLY CA C 9 45.460 45.460 45.134 0.326 25866
393 1 4 . 1 1 10 10 TRP N N 10 119.937 119.937 120.288 -0.351 25866
394 1 4 . 1 1 10 10 TRP HA H 10 5.566 5.566 4.821 0.745 25866
395 1 4 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.958 -0.128 25866
396 1 4 . 1 1 10 10 TRP CB C 10 31.780 31.780 30.394 1.386 25866
397 1 4 . 1 1 11 11 GLU N N 11 122.950 122.950 123.251 -0.301 25866
398 1 4 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.732 -0.102 25866
399 1 4 . 1 1 11 11 GLU CA C 11 55.300 55.300 54.692 0.608 25866
400 1 4 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.737 1.663 25866
401 1 4 . 1 1 12 12 GLU N N 12 127.188 127.188 127.378 -0.190 25866
402 1 4 . 1 1 12 12 GLU HA H 12 4.548 4.548 5.056 -0.508 25866
403 1 4 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.406 -0.099 25866
404 1 4 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.917 0.494 25866
405 1 4 . 1 1 13 13 LYS N N 13 128.411 128.411 125.488 2.923 25866
406 1 4 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.615 -0.297 25866
407 1 4 . 1 1 13 13 LYS CA C 13 54.170 54.170 53.181 0.989 25866
408 1 4 . 1 1 13 13 LYS CB C 13 35.204 35.204 36.209 -1.005 25866
409 1 4 . 1 1 14 14 GLN N N 14 117.310 117.310 122.064 -4.754 25866
410 1 4 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.463 0.727 25866
411 1 4 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.089 0.471 25866
412 1 4 . 1 1 14 14 GLN CB C 14 32.163 32.163 29.490 2.673 25866
413 1 4 . 1 1 15 15 ASP N N 15 124.496 124.496 125.055 -0.559 25866
414 1 4 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.655 0.256 25866
415 1 4 . 1 1 15 15 ASP CA C 15 52.650 52.650 54.813 -2.163 25866
416 1 4 . 1 1 15 15 ASP CB C 15 41.127 41.127 43.201 -2.074 25866
417 1 4 . 1 1 16 16 ASP N N 16 118.260 118.260 122.857 -4.597 25866
418 1 4 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.479 -0.030 25866
419 1 4 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.132 -0.132 25866
420 1 4 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.999 -0.869 25866
421 1 4 . 1 1 17 17 ARG N N 17 120.200 120.200 117.425 2.775 25866
422 1 4 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.340 0.130 25866
423 1 4 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.370 -1.370 25866
424 1 4 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.309 0.337 25866
425 1 4 . 1 1 18 18 GLY N N 18 109.972 109.972 106.464 3.508 25866
426 1 4 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.353 0.047 25866
427 1 4 . 1 1 19 19 ARG N N 19 124.040 124.040 121.093 2.947 25866
428 1 4 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.587 -0.093 25866
429 1 4 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.394 1.676 25866
430 1 4 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.133 0.867 25866
431 1 4 . 1 1 20 20 SER N N 20 121.540 121.540 123.266 -1.726 25866
432 1 4 . 1 1 20 20 SER HA H 20 5.135 5.135 4.491 0.644 25866
433 1 4 . 1 1 20 20 SER CA C 20 59.487 59.487 59.229 0.258 25866
434 1 4 . 1 1 20 20 SER CB C 20 64.070 64.070 62.889 1.181 25866
435 1 4 . 1 1 21 21 TYR N N 21 120.900 120.900 124.741 -3.841 25866
436 1 4 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.682 0.710 25866
437 1 4 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.960 0.740 25866
438 1 4 . 1 1 21 21 TYR CB C 21 38.246 38.246 39.106 -0.860 25866
439 1 4 . 1 1 22 22 TYR N N 22 118.453 118.453 115.275 3.178 25866
440 1 4 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.477 -0.278 25866
441 1 4 . 1 1 22 22 TYR CA C 22 57.093 57.093 56.066 1.027 25866
442 1 4 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.660 -0.769 25866
443 1 4 . 1 1 23 23 VAL N N 23 123.096 123.096 121.988 1.108 25866
444 1 4 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.561 -0.111 25866
445 1 4 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.776 -0.159 25866
446 1 4 . 1 1 23 23 VAL CB C 23 34.811 34.811 34.400 0.411 25866
447 1 4 . 1 1 24 24 ASP N N 24 126.236 126.236 126.818 -0.582 25866
448 1 4 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.488 -0.732 25866
449 1 4 . 1 1 24 24 ASP CA C 24 51.513 51.513 52.022 -0.509 25866
450 1 4 . 1 1 24 24 ASP CB C 24 39.372 39.372 42.335 -2.963 25866
451 1 4 . 1 1 25 25 HIS N N 25 124.507 124.507 124.088 0.419 25866
452 1 4 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.320 -0.111 25866
453 1 4 . 1 1 25 25 HIS CA C 25 58.724 58.724 58.271 0.453 25866
454 1 4 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.509 -0.259 25866
455 1 4 . 1 1 26 26 ASN N N 26 117.758 117.758 118.078 -0.320 25866
456 1 4 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.414 0.133 25866
457 1 4 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.256 0.044 25866
458 1 4 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.813 -0.213 25866
459 1 4 . 1 1 27 27 SER HA H 27 4.361 4.361 4.524 -0.163 25866
460 1 4 . 1 1 27 27 SER CA C 27 58.351 58.351 57.810 0.541 25866
461 1 4 . 1 1 27 27 SER CB C 27 64.420 64.420 64.002 0.418 25866
462 1 4 . 1 1 28 28 LYS N N 28 120.643 120.643 116.891 3.752 25866
463 1 4 . 1 1 28 28 LYS HA H 28 3.881 3.881 3.980 -0.099 25866
464 1 4 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.240 -0.404 25866
465 1 4 . 1 1 28 28 LYS CB C 28 29.505 29.505 29.696 -0.191 25866
466 1 4 . 1 1 29 29 THR N N 29 113.963 113.963 113.409 0.554 25866
467 1 4 . 1 1 29 29 THR HA H 29 4.460 4.460 4.163 0.297 25866
468 1 4 . 1 1 29 29 THR CA C 29 61.338 61.338 62.834 -1.496 25866
469 1 4 . 1 1 29 29 THR CB C 29 71.257 71.257 69.732 1.525 25866
470 1 4 . 1 1 30 30 THR N N 30 118.007 118.007 116.295 1.712 25866
471 1 4 . 1 1 30 30 THR HA H 30 5.211 5.211 4.477 0.734 25866
472 1 4 . 1 1 30 30 THR CA C 30 61.015 61.015 60.388 0.627 25866
473 1 4 . 1 1 30 30 THR CB C 30 71.260 71.260 70.042 1.218 25866
474 1 4 . 1 1 31 31 THR N N 31 119.453 119.453 113.870 5.583 25866
475 1 4 . 1 1 31 31 THR HA H 31 4.790 4.790 4.379 0.411 25866
476 1 4 . 1 1 31 31 THR CA C 31 59.882 59.882 61.271 -1.389 25866
477 1 4 . 1 1 31 31 THR CB C 31 70.113 70.113 69.453 0.660 25866
478 1 4 . 1 1 32 32 TRP N N 32 125.784 125.784 122.367 3.417 25866
479 1 4 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.751 0.131 25866
480 1 4 . 1 1 32 32 TRP CA C 32 58.335 58.335 58.152 0.183 25866
481 1 4 . 1 1 32 32 TRP CB C 32 29.883 29.883 27.800 2.083 25866
482 1 4 . 1 1 33 33 SER N N 33 118.326 118.326 118.615 -0.289 25866
483 1 4 . 1 1 33 33 SER HA H 33 4.604 4.604 4.832 -0.228 25866
484 1 4 . 1 1 33 33 SER CA C 33 57.210 57.210 56.973 0.237 25866
485 1 4 . 1 1 33 33 SER CB C 33 64.000 64.000 65.103 -1.103 25866
486 1 4 . 1 1 34 34 LYS N N 34 128.842 128.842 125.782 3.060 25866
487 1 4 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.204 -1.294 25866
488 1 4 . 1 1 34 34 LYS CA C 34 54.548 54.548 55.296 -0.748 25866
489 1 4 . 1 1 34 34 LYS CB C 34 32.552 32.552 31.477 1.075 25866
490 1 4 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.151 1.939 25866
491 1 4 . 1 1 35 35 PRO CA C 35 62.200 62.200 61.482 0.718 25866
492 1 4 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.169 0.238 25866
493 1 4 . 1 1 36 36 THR N N 36 114.599 114.599 115.775 -1.176 25866
494 1 4 . 1 1 36 36 THR HA H 36 4.180 4.180 4.450 -0.270 25866
495 1 4 . 1 1 36 36 THR CA C 36 61.012 61.012 62.869 -1.857 25866
496 1 4 . 1 1 36 36 THR CB C 36 70.447 70.447 69.487 0.960 25866
497 1 4 . 1 1 37 37 MET N N 37 123.290 123.290 122.176 1.114 25866
498 1 4 . 1 1 37 37 MET HA H 37 4.345 4.345 4.784 -0.439 25866
499 1 4 . 1 1 37 37 MET CA C 37 55.320 55.320 53.993 1.327 25866
500 1 4 . 1 1 37 37 MET CB C 37 32.540 32.540 34.414 -1.874 25866
501 1 4 . 1 1 38 38 GLU N N 38 123.080 123.080 121.609 1.471 25866
502 1 4 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.326 0.044 25866
503 1 4 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.695 -1.041 25866
504 1 4 . 1 1 38 38 GLU CB C 38 29.889 29.889 29.608 0.281 25866
505 1 5 . 1 1 5 5 GLY N N 5 111.909 111.909 112.992 -1.083 25866
506 1 5 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.248 1.201 25866
507 1 5 . 1 1 6 6 LEU N N 6 121.975 121.975 120.292 1.683 25866
508 1 5 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.831 -0.291 25866
509 1 5 . 1 1 6 6 LEU CA C 6 52.250 52.250 51.498 0.752 25866
510 1 5 . 1 1 6 6 LEU CB C 6 42.450 42.450 41.199 1.251 25866
511 1 5 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.420 0.280 25866
512 1 5 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.943 -0.743 25866
513 1 5 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.871 -1.171 25866
514 1 5 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.203 0.211 25866
515 1 5 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.476 -0.436 25866
516 1 5 . 1 1 8 8 PRO CB C 8 31.784 31.784 30.969 0.815 25866
517 1 5 . 1 1 9 9 GLY N N 9 113.440 113.440 111.491 1.949 25866
518 1 5 . 1 1 9 9 GLY CA C 9 45.460 45.460 45.138 0.322 25866
519 1 5 . 1 1 10 10 TRP N N 10 119.937 119.937 121.841 -1.904 25866
520 1 5 . 1 1 10 10 TRP HA H 10 5.566 5.566 4.680 0.886 25866
521 1 5 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.086 0.744 25866
522 1 5 . 1 1 10 10 TRP CB C 10 31.780 31.780 30.177 1.603 25866
523 1 5 . 1 1 11 11 GLU N N 11 122.950 122.950 129.026 -6.076 25866
524 1 5 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.412 0.218 25866
525 1 5 . 1 1 11 11 GLU CA C 11 55.300 55.300 54.678 0.622 25866
526 1 5 . 1 1 11 11 GLU CB C 11 34.400 34.400 31.376 3.024 25866
527 1 5 . 1 1 12 12 GLU N N 12 127.188 127.188 127.788 -0.600 25866
528 1 5 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.769 -0.221 25866
529 1 5 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.255 0.052 25866
530 1 5 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.834 0.577 25866
531 1 5 . 1 1 13 13 LYS N N 13 128.411 128.411 125.852 2.559 25866
532 1 5 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.629 -0.311 25866
533 1 5 . 1 1 13 13 LYS CA C 13 54.170 54.170 53.094 1.076 25866
534 1 5 . 1 1 13 13 LYS CB C 13 35.204 35.204 36.156 -0.952 25866
535 1 5 . 1 1 14 14 GLN N N 14 117.310 117.310 121.069 -3.759 25866
536 1 5 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.924 0.266 25866
537 1 5 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.280 0.280 25866
538 1 5 . 1 1 14 14 GLN CB C 14 32.163 32.163 30.704 1.459 25866
539 1 5 . 1 1 15 15 ASP N N 15 124.496 124.496 120.619 3.877 25866
540 1 5 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.858 0.053 25866
541 1 5 . 1 1 15 15 ASP CA C 15 52.650 52.650 52.879 -0.229 25866
542 1 5 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.389 -1.262 25866
543 1 5 . 1 1 16 16 ASP N N 16 118.260 118.260 118.348 -0.088 25866
544 1 5 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.463 -0.014 25866
545 1 5 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.497 -0.497 25866
546 1 5 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.711 -0.581 25866
547 1 5 . 1 1 17 17 ARG N N 17 120.200 120.200 117.947 2.253 25866
548 1 5 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.451 0.019 25866
549 1 5 . 1 1 17 17 ARG CA C 17 55.000 55.000 55.694 -0.694 25866
550 1 5 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.436 0.210 25866
551 1 5 . 1 1 18 18 GLY N N 18 109.972 109.972 108.248 1.724 25866
552 1 5 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.969 0.431 25866
553 1 5 . 1 1 19 19 ARG N N 19 124.040 124.040 121.964 2.076 25866
554 1 5 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.720 -0.226 25866
555 1 5 . 1 1 19 19 ARG CA C 19 56.070 56.070 53.553 2.517 25866
556 1 5 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.863 0.137 25866
557 1 5 . 1 1 20 20 SER N N 20 121.540 121.540 120.426 1.114 25866
558 1 5 . 1 1 20 20 SER HA H 20 5.135 5.135 4.717 0.418 25866
559 1 5 . 1 1 20 20 SER CA C 20 59.487 59.487 57.779 1.708 25866
560 1 5 . 1 1 20 20 SER CB C 20 64.070 64.070 63.503 0.567 25866
561 1 5 . 1 1 21 21 TYR N N 21 120.900 120.900 122.357 -1.457 25866
562 1 5 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.026 1.366 25866
563 1 5 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.585 1.115 25866
564 1 5 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.965 -0.719 25866
565 1 5 . 1 1 22 22 TYR N N 22 118.453 118.453 114.009 4.444 25866
566 1 5 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.136 0.063 25866
567 1 5 . 1 1 22 22 TYR CA C 22 57.093 57.093 54.943 2.150 25866
568 1 5 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.271 0.620 25866
569 1 5 . 1 1 23 23 VAL N N 23 123.096 123.096 121.647 1.449 25866
570 1 5 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.535 -0.085 25866
571 1 5 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.821 -0.204 25866
572 1 5 . 1 1 23 23 VAL CB C 23 34.811 34.811 33.682 1.129 25866
573 1 5 . 1 1 24 24 ASP N N 24 126.236 126.236 127.098 -0.862 25866
574 1 5 . 1 1 24 24 ASP HA H 24 3.756 3.756 5.154 -1.398 25866
575 1 5 . 1 1 24 24 ASP CA C 24 51.513 51.513 52.879 -1.365 25866
576 1 5 . 1 1 24 24 ASP CB C 24 39.372 39.372 43.599 -4.227 25866
577 1 5 . 1 1 25 25 HIS N N 25 124.507 124.507 121.986 2.521 25866
578 1 5 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.435 -0.226 25866
579 1 5 . 1 1 25 25 HIS CA C 25 58.724 58.724 58.818 -0.094 25866
580 1 5 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.563 -0.313 25866
581 1 5 . 1 1 26 26 ASN N N 26 117.758 117.758 117.657 0.101 25866
582 1 5 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.600 -0.053 25866
583 1 5 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.922 -0.622 25866
584 1 5 . 1 1 26 26 ASN CB C 26 38.600 38.600 39.368 -0.768 25866
585 1 5 . 1 1 27 27 SER HA H 27 4.361 4.361 4.590 -0.229 25866
586 1 5 . 1 1 27 27 SER CA C 27 58.351 58.351 58.839 -0.488 25866
587 1 5 . 1 1 27 27 SER CB C 27 64.420 64.420 63.685 0.735 25866
588 1 5 . 1 1 28 28 LYS N N 28 120.643 120.643 117.090 3.553 25866
589 1 5 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.119 -0.238 25866
590 1 5 . 1 1 28 28 LYS CA C 28 56.836 56.836 56.900 -0.064 25866
591 1 5 . 1 1 28 28 LYS CB C 28 29.505 29.505 29.482 0.023 25866
592 1 5 . 1 1 29 29 THR N N 29 113.963 113.963 113.895 0.068 25866
593 1 5 . 1 1 29 29 THR HA H 29 4.460 4.460 4.290 0.170 25866
594 1 5 . 1 1 29 29 THR CA C 29 61.338 61.338 63.869 -2.531 25866
595 1 5 . 1 1 29 29 THR CB C 29 71.257 71.257 69.984 1.273 25866
596 1 5 . 1 1 30 30 THR N N 30 118.007 118.007 120.038 -2.031 25866
597 1 5 . 1 1 30 30 THR HA H 30 5.211 5.211 4.384 0.827 25866
598 1 5 . 1 1 30 30 THR CA C 30 61.015 61.015 61.580 -0.565 25866
599 1 5 . 1 1 30 30 THR CB C 30 71.260 71.260 69.830 1.430 25866
600 1 5 . 1 1 31 31 THR N N 31 119.453 119.453 114.345 5.108 25866
601 1 5 . 1 1 31 31 THR HA H 31 4.790 4.790 4.319 0.471 25866
602 1 5 . 1 1 31 31 THR CA C 31 59.882 59.882 61.980 -2.098 25866
603 1 5 . 1 1 31 31 THR CB C 31 70.113 70.113 69.600 0.512 25866
604 1 5 . 1 1 32 32 TRP N N 32 125.784 125.784 122.672 3.112 25866
605 1 5 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.748 0.134 25866
606 1 5 . 1 1 32 32 TRP CA C 32 58.335 58.335 58.288 0.047 25866
607 1 5 . 1 1 32 32 TRP CB C 32 29.883 29.883 28.206 1.677 25866
608 1 5 . 1 1 33 33 SER N N 33 118.326 118.326 119.231 -0.905 25866
609 1 5 . 1 1 33 33 SER HA H 33 4.604 4.604 4.824 -0.220 25866
610 1 5 . 1 1 33 33 SER CA C 33 57.210 57.210 57.076 0.134 25866
611 1 5 . 1 1 33 33 SER CB C 33 64.000 64.000 65.201 -1.200 25866
612 1 5 . 1 1 34 34 LYS N N 34 128.842 128.842 123.591 5.251 25866
613 1 5 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.383 -1.473 25866
614 1 5 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.696 -0.147 25866
615 1 5 . 1 1 34 34 LYS CB C 34 32.552 32.552 31.713 0.839 25866
616 1 5 . 1 1 35 35 PRO HA H 35 4.090 4.090 3.063 1.027 25866
617 1 5 . 1 1 35 35 PRO CA C 35 62.200 62.200 62.093 0.107 25866
618 1 5 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.281 0.126 25866
619 1 5 . 1 1 36 36 THR N N 36 114.599 114.599 109.668 4.931 25866
620 1 5 . 1 1 36 36 THR HA H 36 4.180 4.180 4.081 0.099 25866
621 1 5 . 1 1 36 36 THR CA C 36 61.012 61.012 63.142 -2.130 25866
622 1 5 . 1 1 36 36 THR CB C 36 70.447 70.447 68.761 1.686 25866
623 1 5 . 1 1 37 37 MET N N 37 123.290 123.290 118.810 4.480 25866
624 1 5 . 1 1 37 37 MET HA H 37 4.345 4.345 4.728 -0.383 25866
625 1 5 . 1 1 37 37 MET CA C 37 55.320 55.320 54.401 0.919 25866
626 1 5 . 1 1 37 37 MET CB C 37 32.540 32.540 34.285 -1.744 25866
627 1 5 . 1 1 38 38 GLU N N 38 123.080 123.080 123.797 -0.717 25866
628 1 5 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.501 -0.131 25866
629 1 5 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.332 -0.678 25866
630 1 5 . 1 1 38 38 GLU CB C 38 29.889 29.889 31.353 -1.464 25866
631 1 6 . 1 1 5 5 GLY N N 5 111.909 111.909 108.439 3.470 25866
632 1 6 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.210 1.239 25866
633 1 6 . 1 1 6 6 LEU N N 6 121.975 121.975 118.635 3.340 25866
634 1 6 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.934 -0.394 25866
635 1 6 . 1 1 6 6 LEU CA C 6 52.250 52.250 51.637 0.613 25866
636 1 6 . 1 1 6 6 LEU CB C 6 42.450 42.450 42.502 -0.052 25866
637 1 6 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.885 -0.185 25866
638 1 6 . 1 1 7 7 PRO CA C 7 61.200 61.200 60.289 0.910 25866
639 1 6 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.827 -1.127 25866
640 1 6 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.213 0.201 25866
641 1 6 . 1 1 8 8 PRO CA C 8 64.040 64.040 65.034 -0.994 25866
642 1 6 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.168 0.616 25866
643 1 6 . 1 1 9 9 GLY N N 9 113.440 113.440 108.339 5.101 25866
644 1 6 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.813 0.647 25866
645 1 6 . 1 1 10 10 TRP N N 10 119.937 119.937 119.771 0.166 25866
646 1 6 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.119 0.447 25866
647 1 6 . 1 1 10 10 TRP CA C 10 56.830 56.830 55.683 1.147 25866
648 1 6 . 1 1 10 10 TRP CB C 10 31.780 31.780 32.135 -0.355 25866
649 1 6 . 1 1 11 11 GLU N N 11 122.950 122.950 119.534 3.416 25866
650 1 6 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.911 -0.281 25866
651 1 6 . 1 1 11 11 GLU CA C 11 55.300 55.300 54.444 0.856 25866
652 1 6 . 1 1 11 11 GLU CB C 11 34.400 34.400 34.604 -0.204 25866
653 1 6 . 1 1 12 12 GLU N N 12 127.188 127.188 119.984 7.204 25866
654 1 6 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.656 -0.108 25866
655 1 6 . 1 1 12 12 GLU CA C 12 55.307 55.307 54.899 0.408 25866
656 1 6 . 1 1 12 12 GLU CB C 12 31.411 31.411 32.229 -0.818 25866
657 1 6 . 1 1 13 13 LYS N N 13 128.411 128.411 122.704 5.707 25866
658 1 6 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.524 -0.206 25866
659 1 6 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.304 -0.135 25866
660 1 6 . 1 1 13 13 LYS CB C 13 35.204 35.204 34.224 0.980 25866
661 1 6 . 1 1 14 14 GLN N N 14 117.310 117.310 123.326 -6.016 25866
662 1 6 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.167 1.023 25866
663 1 6 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.490 0.070 25866
664 1 6 . 1 1 14 14 GLN CB C 14 32.163 32.163 29.920 2.243 25866
665 1 6 . 1 1 15 15 ASP N N 15 124.496 124.496 119.410 5.086 25866
666 1 6 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.650 0.261 25866
667 1 6 . 1 1 15 15 ASP CA C 15 52.650 52.650 52.930 -0.280 25866
668 1 6 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.693 -1.565 25866
669 1 6 . 1 1 16 16 ASP N N 16 118.260 118.260 117.657 0.603 25866
670 1 6 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.463 -0.014 25866
671 1 6 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.046 -0.046 25866
672 1 6 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.475 -0.345 25866
673 1 6 . 1 1 17 17 ARG N N 17 120.200 120.200 119.425 0.775 25866
674 1 6 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.291 0.179 25866
675 1 6 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.651 -1.651 25866
676 1 6 . 1 1 17 17 ARG CB C 17 30.646 30.646 31.189 -0.543 25866
677 1 6 . 1 1 18 18 GLY N N 18 109.972 109.972 106.691 3.281 25866
678 1 6 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.437 0.963 25866
679 1 6 . 1 1 19 19 ARG N N 19 124.040 124.040 120.245 3.795 25866
680 1 6 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.660 -0.166 25866
681 1 6 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.507 1.563 25866
682 1 6 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.908 0.092 25866
683 1 6 . 1 1 20 20 SER N N 20 121.540 121.540 120.414 1.126 25866
684 1 6 . 1 1 20 20 SER HA H 20 5.135 5.135 4.253 0.882 25866
685 1 6 . 1 1 20 20 SER CA C 20 59.487 59.487 57.536 1.951 25866
686 1 6 . 1 1 20 20 SER CB C 20 64.070 64.070 63.488 0.582 25866
687 1 6 . 1 1 21 21 TYR N N 21 120.900 120.900 124.369 -3.469 25866
688 1 6 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.633 0.759 25866
689 1 6 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.636 1.064 25866
690 1 6 . 1 1 21 21 TYR CB C 21 38.246 38.246 37.981 0.265 25866
691 1 6 . 1 1 22 22 TYR N N 22 118.453 118.453 119.854 -1.401 25866
692 1 6 . 1 1 22 22 TYR HA H 22 5.199 5.199 4.716 0.483 25866
693 1 6 . 1 1 22 22 TYR CA C 22 57.093 57.093 57.468 -0.375 25866
694 1 6 . 1 1 22 22 TYR CB C 22 40.891 40.891 39.272 1.619 25866
695 1 6 . 1 1 23 23 VAL N N 23 123.096 123.096 123.473 -0.377 25866
696 1 6 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.495 -0.045 25866
697 1 6 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.220 0.397 25866
698 1 6 . 1 1 23 23 VAL CB C 23 34.811 34.811 33.462 1.349 25866
699 1 6 . 1 1 24 24 ASP N N 24 126.236 126.236 129.232 -2.996 25866
700 1 6 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.898 -1.142 25866
701 1 6 . 1 1 24 24 ASP CA C 24 51.513 51.513 52.815 -1.302 25866
702 1 6 . 1 1 24 24 ASP CB C 24 39.372 39.372 42.688 -3.316 25866
703 1 6 . 1 1 25 25 HIS N N 25 124.507 124.507 123.244 1.263 25866
704 1 6 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.206 0.003 25866
705 1 6 . 1 1 25 25 HIS CA C 25 58.724 58.724 58.503 0.221 25866
706 1 6 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.068 0.182 25866
707 1 6 . 1 1 26 26 ASN N N 26 117.758 117.758 119.661 -1.903 25866
708 1 6 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.420 0.127 25866
709 1 6 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.782 -0.482 25866
710 1 6 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.542 0.058 25866
711 1 6 . 1 1 27 27 SER HA H 27 4.361 4.361 4.461 -0.100 25866
712 1 6 . 1 1 27 27 SER CA C 27 58.351 58.351 58.748 -0.397 25866
713 1 6 . 1 1 27 27 SER CB C 27 64.420 64.420 64.230 0.190 25866
714 1 6 . 1 1 28 28 LYS N N 28 120.643 120.643 116.565 4.078 25866
715 1 6 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.027 -0.146 25866
716 1 6 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.183 -0.347 25866
717 1 6 . 1 1 28 28 LYS CB C 28 29.505 29.505 29.557 -0.052 25866
718 1 6 . 1 1 29 29 THR N N 29 113.963 113.963 113.769 0.194 25866
719 1 6 . 1 1 29 29 THR HA H 29 4.460 4.460 4.659 -0.199 25866
720 1 6 . 1 1 29 29 THR CA C 29 61.338 61.338 60.438 0.900 25866
721 1 6 . 1 1 29 29 THR CB C 29 71.257 71.257 70.518 0.739 25866
722 1 6 . 1 1 30 30 THR N N 30 118.007 118.007 118.144 -0.137 25866
723 1 6 . 1 1 30 30 THR HA H 30 5.211 5.211 5.162 0.049 25866
724 1 6 . 1 1 30 30 THR CA C 30 61.015 61.015 61.322 -0.307 25866
725 1 6 . 1 1 30 30 THR CB C 30 71.260 71.260 70.334 0.926 25866
726 1 6 . 1 1 31 31 THR N N 31 119.453 119.453 119.165 0.288 25866
727 1 6 . 1 1 31 31 THR HA H 31 4.790 4.790 4.425 0.365 25866
728 1 6 . 1 1 31 31 THR CA C 31 59.882 59.882 61.186 -1.304 25866
729 1 6 . 1 1 31 31 THR CB C 31 70.113 70.113 71.559 -1.446 25866
730 1 6 . 1 1 32 32 TRP N N 32 125.784 125.784 122.285 3.499 25866
731 1 6 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.886 -0.004 25866
732 1 6 . 1 1 32 32 TRP CA C 32 58.335 58.335 57.033 1.302 25866
733 1 6 . 1 1 32 32 TRP CB C 32 29.883 29.883 29.057 0.826 25866
734 1 6 . 1 1 33 33 SER N N 33 118.326 118.326 117.373 0.953 25866
735 1 6 . 1 1 33 33 SER HA H 33 4.604 4.604 4.924 -0.320 25866
736 1 6 . 1 1 33 33 SER CA C 33 57.210 57.210 55.896 1.314 25866
737 1 6 . 1 1 33 33 SER CB C 33 64.000 64.000 67.340 -3.340 25866
738 1 6 . 1 1 34 34 LYS N N 34 128.842 128.842 121.093 7.749 25866
739 1 6 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.534 -1.624 25866
740 1 6 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.133 0.415 25866
741 1 6 . 1 1 34 34 LYS CB C 34 32.552 32.552 31.645 0.907 25866
742 1 6 . 1 1 35 35 PRO HA H 35 4.090 4.090 3.589 0.501 25866
743 1 6 . 1 1 35 35 PRO CA C 35 62.200 62.200 63.041 -0.841 25866
744 1 6 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.687 -0.280 25866
745 1 6 . 1 1 36 36 THR N N 36 114.599 114.599 114.026 0.573 25866
746 1 6 . 1 1 36 36 THR HA H 36 4.180 4.180 4.078 0.102 25866
747 1 6 . 1 1 36 36 THR CA C 36 61.012 61.012 64.385 -3.373 25866
748 1 6 . 1 1 36 36 THR CB C 36 70.447 70.447 69.086 1.361 25866
749 1 6 . 1 1 37 37 MET N N 37 123.290 123.290 118.105 5.185 25866
750 1 6 . 1 1 37 37 MET HA H 37 4.345 4.345 4.581 -0.236 25866
751 1 6 . 1 1 37 37 MET CA C 37 55.320 55.320 54.621 0.699 25866
752 1 6 . 1 1 37 37 MET CB C 37 32.540 32.540 34.705 -2.165 25866
753 1 6 . 1 1 38 38 GLU N N 38 123.080 123.080 122.101 0.979 25866
754 1 6 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.276 0.094 25866
755 1 6 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.628 -0.974 25866
756 1 6 . 1 1 38 38 GLU CB C 38 29.889 29.889 29.649 0.240 25866
757 1 7 . 1 1 5 5 GLY N N 5 111.909 111.909 109.700 2.209 25866
758 1 7 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.871 0.578 25866
759 1 7 . 1 1 6 6 LEU N N 6 121.975 121.975 124.098 -2.123 25866
760 1 7 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.661 -0.121 25866
761 1 7 . 1 1 6 6 LEU CA C 6 52.250 52.250 52.068 0.182 25866
762 1 7 . 1 1 6 6 LEU CB C 6 42.450 42.450 40.902 1.548 25866
763 1 7 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.512 0.188 25866
764 1 7 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.788 -0.587 25866
765 1 7 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.189 -1.489 25866
766 1 7 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.225 0.189 25866
767 1 7 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.816 -0.776 25866
768 1 7 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.048 0.736 25866
769 1 7 . 1 1 9 9 GLY N N 9 113.440 113.440 109.369 4.071 25866
770 1 7 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.745 0.715 25866
771 1 7 . 1 1 10 10 TRP N N 10 119.937 119.937 120.953 -1.016 25866
772 1 7 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.133 0.433 25866
773 1 7 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.818 0.012 25866
774 1 7 . 1 1 10 10 TRP CB C 10 31.780 31.780 30.750 1.030 25866
775 1 7 . 1 1 11 11 GLU N N 11 122.950 122.950 121.825 1.125 25866
776 1 7 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.772 -0.142 25866
777 1 7 . 1 1 11 11 GLU CA C 11 55.300 55.300 54.840 0.460 25866
778 1 7 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.947 0.454 25866
779 1 7 . 1 1 12 12 GLU N N 12 127.188 127.188 127.618 -0.430 25866
780 1 7 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.967 -0.419 25866
781 1 7 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.497 -0.190 25866
782 1 7 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.795 0.616 25866
783 1 7 . 1 1 13 13 LYS N N 13 128.411 128.411 125.038 3.373 25866
784 1 7 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.366 -0.048 25866
785 1 7 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.277 -0.107 25866
786 1 7 . 1 1 13 13 LYS CB C 13 35.204 35.204 35.575 -0.371 25866
787 1 7 . 1 1 14 14 GLN N N 14 117.310 117.310 121.467 -4.157 25866
788 1 7 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.425 0.765 25866
789 1 7 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.937 -0.377 25866
790 1 7 . 1 1 14 14 GLN CB C 14 32.163 32.163 30.299 1.864 25866
791 1 7 . 1 1 15 15 ASP N N 15 124.496 124.496 127.079 -2.583 25866
792 1 7 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.876 0.035 25866
793 1 7 . 1 1 15 15 ASP CA C 15 52.650 52.650 54.757 -2.107 25866
794 1 7 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.788 -1.661 25866
795 1 7 . 1 1 16 16 ASP N N 16 118.260 118.260 123.443 -5.183 25866
796 1 7 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.874 -0.425 25866
797 1 7 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.545 -0.545 25866
798 1 7 . 1 1 16 16 ASP CB C 16 40.130 40.130 42.265 -2.135 25866
799 1 7 . 1 1 17 17 ARG N N 17 120.200 120.200 116.662 3.538 25866
800 1 7 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.503 -0.033 25866
801 1 7 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.684 -1.684 25866
802 1 7 . 1 1 17 17 ARG CB C 17 30.646 30.646 32.168 -1.522 25866
803 1 7 . 1 1 18 18 GLY N N 18 109.972 109.972 107.005 2.967 25866
804 1 7 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.135 0.265 25866
805 1 7 . 1 1 19 19 ARG N N 19 124.040 124.040 121.174 2.866 25866
806 1 7 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.464 0.030 25866
807 1 7 . 1 1 19 19 ARG CA C 19 56.070 56.070 55.796 0.274 25866
808 1 7 . 1 1 19 19 ARG CB C 19 31.000 31.000 31.341 -0.341 25866
809 1 7 . 1 1 20 20 SER N N 20 121.540 121.540 119.555 1.985 25866
810 1 7 . 1 1 20 20 SER HA H 20 5.135 5.135 4.464 0.671 25866
811 1 7 . 1 1 20 20 SER CA C 20 59.487 59.487 59.006 0.481 25866
812 1 7 . 1 1 20 20 SER CB C 20 64.070 64.070 63.048 1.022 25866
813 1 7 . 1 1 21 21 TYR N N 21 120.900 120.900 123.342 -2.442 25866
814 1 7 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.210 1.182 25866
815 1 7 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.239 1.461 25866
816 1 7 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.515 -0.269 25866
817 1 7 . 1 1 22 22 TYR N N 22 118.453 118.453 116.478 1.975 25866
818 1 7 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.170 0.029 25866
819 1 7 . 1 1 22 22 TYR CA C 22 57.093 57.093 56.518 0.575 25866
820 1 7 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.284 0.607 25866
821 1 7 . 1 1 23 23 VAL N N 23 123.096 123.096 123.893 -0.797 25866
822 1 7 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.633 -0.183 25866
823 1 7 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.882 -0.265 25866
824 1 7 . 1 1 23 23 VAL CB C 23 34.811 34.811 35.573 -0.762 25866
825 1 7 . 1 1 24 24 ASP N N 24 126.236 126.236 126.058 0.178 25866
826 1 7 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.638 -0.882 25866
827 1 7 . 1 1 24 24 ASP CA C 24 51.513 51.513 51.700 -0.188 25866
828 1 7 . 1 1 24 24 ASP CB C 24 39.372 39.372 42.443 -3.071 25866
829 1 7 . 1 1 25 25 HIS N N 25 124.507 124.507 124.500 0.007 25866
830 1 7 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.376 -0.167 25866
831 1 7 . 1 1 25 25 HIS CA C 25 58.724 58.724 58.686 0.038 25866
832 1 7 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.542 -0.292 25866
833 1 7 . 1 1 26 26 ASN N N 26 117.758 117.758 118.700 -0.942 25866
834 1 7 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.515 0.032 25866
835 1 7 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.280 0.020 25866
836 1 7 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.780 -0.180 25866
837 1 7 . 1 1 27 27 SER HA H 27 4.361 4.361 4.455 -0.094 25866
838 1 7 . 1 1 27 27 SER CA C 27 58.351 58.351 58.194 0.157 25866
839 1 7 . 1 1 27 27 SER CB C 27 64.420 64.420 64.136 0.284 25866
840 1 7 . 1 1 28 28 LYS N N 28 120.643 120.643 116.615 4.028 25866
841 1 7 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.056 -0.175 25866
842 1 7 . 1 1 28 28 LYS CA C 28 56.836 56.836 56.719 0.117 25866
843 1 7 . 1 1 28 28 LYS CB C 28 29.505 29.505 29.943 -0.438 25866
844 1 7 . 1 1 29 29 THR N N 29 113.963 113.963 112.806 1.157 25866
845 1 7 . 1 1 29 29 THR HA H 29 4.460 4.460 4.178 0.282 25866
846 1 7 . 1 1 29 29 THR CA C 29 61.338 61.338 62.927 -1.589 25866
847 1 7 . 1 1 29 29 THR CB C 29 71.257 71.257 69.573 1.684 25866
848 1 7 . 1 1 30 30 THR N N 30 118.007 118.007 116.556 1.451 25866
849 1 7 . 1 1 30 30 THR HA H 30 5.211 5.211 4.392 0.819 25866
850 1 7 . 1 1 30 30 THR CA C 30 61.015 61.015 61.638 -0.623 25866
851 1 7 . 1 1 30 30 THR CB C 30 71.260 71.260 69.121 2.139 25866
852 1 7 . 1 1 31 31 THR N N 31 119.453 119.453 114.079 5.374 25866
853 1 7 . 1 1 31 31 THR HA H 31 4.790 4.790 4.393 0.397 25866
854 1 7 . 1 1 31 31 THR CA C 31 59.882 59.882 61.728 -1.846 25866
855 1 7 . 1 1 31 31 THR CB C 31 70.113 70.113 69.301 0.812 25866
856 1 7 . 1 1 32 32 TRP N N 32 125.784 125.784 122.542 3.242 25866
857 1 7 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.669 0.213 25866
858 1 7 . 1 1 32 32 TRP CA C 32 58.335 58.335 58.080 0.255 25866
859 1 7 . 1 1 32 32 TRP CB C 32 29.883 29.883 28.095 1.788 25866
860 1 7 . 1 1 33 33 SER N N 33 118.326 118.326 119.416 -1.090 25866
861 1 7 . 1 1 33 33 SER HA H 33 4.604 4.604 4.766 -0.162 25866
862 1 7 . 1 1 33 33 SER CA C 33 57.210 57.210 56.906 0.304 25866
863 1 7 . 1 1 33 33 SER CB C 33 64.000 64.000 65.386 -1.386 25866
864 1 7 . 1 1 34 34 LYS N N 34 128.842 128.842 124.679 4.163 25866
865 1 7 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.241 -1.331 25866
866 1 7 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.637 -0.089 25866
867 1 7 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.307 0.245 25866
868 1 7 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.516 1.574 25866
869 1 7 . 1 1 35 35 PRO CA C 35 62.200 62.200 61.339 0.861 25866
870 1 7 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.549 -0.142 25866
871 1 7 . 1 1 36 36 THR N N 36 114.599 114.599 115.048 -0.449 25866
872 1 7 . 1 1 36 36 THR HA H 36 4.180 4.180 4.182 -0.002 25866
873 1 7 . 1 1 36 36 THR CA C 36 61.012 61.012 64.509 -3.497 25866
874 1 7 . 1 1 36 36 THR CB C 36 70.447 70.447 69.316 1.131 25866
875 1 7 . 1 1 37 37 MET N N 37 123.290 123.290 115.687 7.603 25866
876 1 7 . 1 1 37 37 MET HA H 37 4.345 4.345 4.111 0.234 25866
877 1 7 . 1 1 37 37 MET CA C 37 55.320 55.320 56.170 -0.850 25866
878 1 7 . 1 1 37 37 MET CB C 37 32.540 32.540 33.056 -0.516 25866
879 1 7 . 1 1 38 38 GLU N N 38 123.080 123.080 118.916 4.164 25866
880 1 7 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.589 -0.219 25866
881 1 7 . 1 1 38 38 GLU CA C 38 55.654 55.654 55.725 -0.071 25866
882 1 7 . 1 1 38 38 GLU CB C 38 29.889 29.889 31.861 -1.972 25866
883 1 8 . 1 1 5 5 GLY N N 5 111.909 111.909 106.811 5.098 25866
884 1 8 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.599 0.850 25866
885 1 8 . 1 1 6 6 LEU N N 6 121.975 121.975 122.773 -0.798 25866
886 1 8 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.602 -0.062 25866
887 1 8 . 1 1 6 6 LEU CA C 6 52.250 52.250 53.791 -1.541 25866
888 1 8 . 1 1 6 6 LEU CB C 6 42.450 42.450 40.899 1.551 25866
889 1 8 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.555 0.145 25866
890 1 8 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.966 -0.766 25866
891 1 8 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.491 -0.790 25866
892 1 8 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.371 0.043 25866
893 1 8 . 1 1 8 8 PRO CA C 8 64.040 64.040 62.648 1.392 25866
894 1 8 . 1 1 8 8 PRO CB C 8 31.784 31.784 32.342 -0.558 25866
895 1 8 . 1 1 9 9 GLY N N 9 113.440 113.440 108.544 4.896 25866
896 1 8 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.901 0.559 25866
897 1 8 . 1 1 10 10 TRP N N 10 119.937 119.937 119.835 0.102 25866
898 1 8 . 1 1 10 10 TRP HA H 10 5.566 5.566 4.688 0.878 25866
899 1 8 . 1 1 10 10 TRP CA C 10 56.830 56.830 55.651 1.179 25866
900 1 8 . 1 1 10 10 TRP CB C 10 31.780 31.780 30.660 1.120 25866
901 1 8 . 1 1 11 11 GLU N N 11 122.950 122.950 120.714 2.236 25866
902 1 8 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.619 0.011 25866
903 1 8 . 1 1 11 11 GLU CA C 11 55.300 55.300 54.696 0.604 25866
904 1 8 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.080 2.320 25866
905 1 8 . 1 1 12 12 GLU N N 12 127.188 127.188 128.135 -0.947 25866
906 1 8 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.272 0.276 25866
907 1 8 . 1 1 12 12 GLU CA C 12 55.307 55.307 56.967 -1.660 25866
908 1 8 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.193 1.218 25866
909 1 8 . 1 1 13 13 LYS N N 13 128.411 128.411 128.016 0.395 25866
910 1 8 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.470 -0.152 25866
911 1 8 . 1 1 13 13 LYS CA C 13 54.170 54.170 53.961 0.209 25866
912 1 8 . 1 1 13 13 LYS CB C 13 35.204 35.204 33.496 1.708 25866
913 1 8 . 1 1 14 14 GLN N N 14 117.310 117.310 124.089 -6.779 25866
914 1 8 . 1 1 14 14 GLN HA H 14 5.190 5.190 5.000 0.190 25866
915 1 8 . 1 1 14 14 GLN CA C 14 54.560 54.560 53.932 0.628 25866
916 1 8 . 1 1 14 14 GLN CB C 14 32.163 32.163 31.060 1.103 25866
917 1 8 . 1 1 15 15 ASP N N 15 124.496 124.496 122.827 1.669 25866
918 1 8 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.814 0.097 25866
919 1 8 . 1 1 15 15 ASP CA C 15 52.650 52.650 53.343 -0.693 25866
920 1 8 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.233 -1.107 25866
921 1 8 . 1 1 16 16 ASP N N 16 118.260 118.260 119.270 -1.010 25866
922 1 8 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.440 0.009 25866
923 1 8 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.712 -0.712 25866
924 1 8 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.600 -0.470 25866
925 1 8 . 1 1 17 17 ARG N N 17 120.200 120.200 117.865 2.335 25866
926 1 8 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.333 0.137 25866
927 1 8 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.100 -1.100 25866
928 1 8 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.419 0.227 25866
929 1 8 . 1 1 18 18 GLY N N 18 109.972 109.972 107.724 2.248 25866
930 1 8 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.973 0.427 25866
931 1 8 . 1 1 19 19 ARG N N 19 124.040 124.040 120.892 3.148 25866
932 1 8 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.590 -0.096 25866
933 1 8 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.587 1.483 25866
934 1 8 . 1 1 19 19 ARG CB C 19 31.000 31.000 31.739 -0.739 25866
935 1 8 . 1 1 20 20 SER N N 20 121.540 121.540 120.630 0.910 25866
936 1 8 . 1 1 20 20 SER HA H 20 5.135 5.135 4.647 0.488 25866
937 1 8 . 1 1 20 20 SER CA C 20 59.487 59.487 58.677 0.810 25866
938 1 8 . 1 1 20 20 SER CB C 20 64.070 64.070 63.496 0.574 25866
939 1 8 . 1 1 21 21 TYR N N 21 120.900 120.900 124.459 -3.559 25866
940 1 8 . 1 1 21 21 TYR HA H 21 4.392 4.392 5.210 -0.818 25866
941 1 8 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.439 1.261 25866
942 1 8 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.466 -0.220 25866
943 1 8 . 1 1 22 22 TYR N N 22 118.453 118.453 123.093 -4.640 25866
944 1 8 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.234 -0.035 25866
945 1 8 . 1 1 22 22 TYR CA C 22 57.093 57.093 54.909 2.184 25866
946 1 8 . 1 1 22 22 TYR CB C 22 40.891 40.891 39.456 1.435 25866
947 1 8 . 1 1 23 23 VAL N N 23 123.096 123.096 115.825 7.271 25866
948 1 8 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.497 -0.047 25866
949 1 8 . 1 1 23 23 VAL CA C 23 60.617 60.617 58.864 1.753 25866
950 1 8 . 1 1 23 23 VAL CB C 23 34.811 34.811 34.213 0.598 25866
951 1 8 . 1 1 24 24 ASP N N 24 126.236 126.236 125.241 0.995 25866
952 1 8 . 1 1 24 24 ASP HA H 24 3.756 3.756 5.180 -1.424 25866
953 1 8 . 1 1 24 24 ASP CA C 24 51.513 51.513 56.129 -4.616 25866
954 1 8 . 1 1 24 24 ASP CB C 24 39.372 39.372 39.254 0.118 25866
955 1 8 . 1 1 25 25 HIS N N 25 124.507 124.507 123.296 1.211 25866
956 1 8 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.464 -0.255 25866
957 1 8 . 1 1 25 25 HIS CA C 25 58.724 58.724 59.809 -1.085 25866
958 1 8 . 1 1 25 25 HIS CB C 25 30.250 30.250 31.872 -1.621 25866
959 1 8 . 1 1 26 26 ASN N N 26 117.758 117.758 116.519 1.239 25866
960 1 8 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.398 0.149 25866
961 1 8 . 1 1 26 26 ASN CA C 26 55.300 55.300 54.919 0.381 25866
962 1 8 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.350 0.250 25866
963 1 8 . 1 1 27 27 SER HA H 27 4.361 4.361 4.456 -0.095 25866
964 1 8 . 1 1 27 27 SER CA C 27 58.351 58.351 58.624 -0.273 25866
965 1 8 . 1 1 27 27 SER CB C 27 64.420 64.420 63.609 0.811 25866
966 1 8 . 1 1 28 28 LYS N N 28 120.643 120.643 119.062 1.581 25866
967 1 8 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.315 -0.434 25866
968 1 8 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.389 -0.553 25866
969 1 8 . 1 1 28 28 LYS CB C 28 29.505 29.505 31.614 -2.109 25866
970 1 8 . 1 1 29 29 THR N N 29 113.963 113.963 110.308 3.655 25866
971 1 8 . 1 1 29 29 THR HA H 29 4.460 4.460 4.562 -0.102 25866
972 1 8 . 1 1 29 29 THR CA C 29 61.338 61.338 60.466 0.872 25866
973 1 8 . 1 1 29 29 THR CB C 29 71.257 71.257 72.559 -1.302 25866
974 1 8 . 1 1 30 30 THR N N 30 118.007 118.007 120.131 -2.124 25866
975 1 8 . 1 1 30 30 THR HA H 30 5.211 5.211 4.976 0.235 25866
976 1 8 . 1 1 30 30 THR CA C 30 61.015 61.015 61.479 -0.464 25866
977 1 8 . 1 1 30 30 THR CB C 30 71.260 71.260 70.338 0.922 25866
978 1 8 . 1 1 31 31 THR N N 31 119.453 119.453 120.000 -0.547 25866
979 1 8 . 1 1 31 31 THR HA H 31 4.790 4.790 4.059 0.731 25866
980 1 8 . 1 1 31 31 THR CA C 31 59.882 59.882 60.654 -0.772 25866
981 1 8 . 1 1 31 31 THR CB C 31 70.113 70.113 71.285 -1.172 25866
982 1 8 . 1 1 32 32 TRP N N 32 125.784 125.784 120.830 4.954 25866
983 1 8 . 1 1 32 32 TRP HA H 32 4.882 4.882 5.147 -0.265 25866
984 1 8 . 1 1 32 32 TRP CA C 32 58.335 58.335 57.156 1.179 25866
985 1 8 . 1 1 32 32 TRP CB C 32 29.883 29.883 29.889 -0.006 25866
986 1 8 . 1 1 33 33 SER N N 33 118.326 118.326 116.607 1.719 25866
987 1 8 . 1 1 33 33 SER HA H 33 4.604 4.604 4.472 0.132 25866
988 1 8 . 1 1 33 33 SER CA C 33 57.210 57.210 59.739 -2.529 25866
989 1 8 . 1 1 33 33 SER CB C 33 64.000 64.000 62.659 1.341 25866
990 1 8 . 1 1 34 34 LYS N N 34 128.842 128.842 127.294 1.548 25866
991 1 8 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.651 -1.741 25866
992 1 8 . 1 1 34 34 LYS CA C 34 54.548 54.548 52.991 1.557 25866
993 1 8 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.513 0.039 25866
994 1 8 . 1 1 35 35 PRO HA H 35 4.090 4.090 4.396 -0.306 25866
995 1 8 . 1 1 35 35 PRO CA C 35 62.200 62.200 64.794 -2.594 25866
996 1 8 . 1 1 35 35 PRO CB C 35 31.407 31.407 32.322 -0.915 25866
997 1 8 . 1 1 36 36 THR N N 36 114.599 114.599 108.131 6.468 25866
998 1 8 . 1 1 36 36 THR HA H 36 4.180 4.180 4.633 -0.453 25866
999 1 8 . 1 1 36 36 THR CA C 36 61.012 61.012 63.503 -2.491 25866
1000 1 8 . 1 1 36 36 THR CB C 36 70.447 70.447 70.247 0.200 25866
1001 1 8 . 1 1 37 37 MET N N 37 123.290 123.290 119.120 4.170 25866
1002 1 8 . 1 1 37 37 MET HA H 37 4.345 4.345 4.644 -0.299 25866
1003 1 8 . 1 1 37 37 MET CA C 37 55.320 55.320 54.579 0.741 25866
1004 1 8 . 1 1 37 37 MET CB C 37 32.540 32.540 36.359 -3.819 25866
1005 1 8 . 1 1 38 38 GLU N N 38 123.080 123.080 125.976 -2.896 25866
1006 1 8 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.405 -0.035 25866
1007 1 8 . 1 1 38 38 GLU CA C 38 55.654 55.654 55.691 -0.037 25866
1008 1 8 . 1 1 38 38 GLU CB C 38 29.889 29.889 28.747 1.141 25866
1009 1 9 . 1 1 5 5 GLY N N 5 111.909 111.909 110.574 1.335 25866
1010 1 9 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.833 0.616 25866
1011 1 9 . 1 1 6 6 LEU N N 6 121.975 121.975 121.925 0.050 25866
1012 1 9 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.809 -0.269 25866
1013 1 9 . 1 1 6 6 LEU CA C 6 52.250 52.250 51.439 0.811 25866
1014 1 9 . 1 1 6 6 LEU CB C 6 42.450 42.450 42.034 0.416 25866
1015 1 9 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.810 -0.110 25866
1016 1 9 . 1 1 7 7 PRO CA C 7 61.200 61.200 60.691 0.509 25866
1017 1 9 . 1 1 7 7 PRO CB C 7 29.700 29.700 31.155 -1.455 25866
1018 1 9 . 1 1 8 8 PRO HA H 8 4.414 4.414 3.260 1.154 25866
1019 1 9 . 1 1 8 8 PRO CA C 8 64.040 64.040 63.836 0.204 25866
1020 1 9 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.127 0.657 25866
1021 1 9 . 1 1 9 9 GLY N N 9 113.440 113.440 107.223 6.217 25866
1022 1 9 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.055 1.405 25866
1023 1 9 . 1 1 10 10 TRP N N 10 119.937 119.937 120.675 -0.738 25866
1024 1 9 . 1 1 10 10 TRP HA H 10 5.566 5.566 4.675 0.891 25866
1025 1 9 . 1 1 10 10 TRP CA C 10 56.830 56.830 55.953 0.877 25866
1026 1 9 . 1 1 10 10 TRP CB C 10 31.780 31.780 28.332 3.448 25866
1027 1 9 . 1 1 11 11 GLU N N 11 122.950 122.950 125.238 -2.288 25866
1028 1 9 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.652 -0.022 25866
1029 1 9 . 1 1 11 11 GLU CA C 11 55.300 55.300 55.625 -0.325 25866
1030 1 9 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.474 0.926 25866
1031 1 9 . 1 1 12 12 GLU N N 12 127.188 127.188 129.089 -1.901 25866
1032 1 9 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.381 0.167 25866
1033 1 9 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.527 -0.220 25866
1034 1 9 . 1 1 12 12 GLU CB C 12 31.411 31.411 29.937 1.474 25866
1035 1 9 . 1 1 13 13 LYS N N 13 128.411 128.411 124.296 4.115 25866
1036 1 9 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.461 -0.143 25866
1037 1 9 . 1 1 13 13 LYS CA C 13 54.170 54.170 54.150 0.020 25866
1038 1 9 . 1 1 13 13 LYS CB C 13 35.204 35.204 35.584 -0.380 25866
1039 1 9 . 1 1 14 14 GLN N N 14 117.310 117.310 118.961 -1.651 25866
1040 1 9 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.423 0.767 25866
1041 1 9 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.746 -0.186 25866
1042 1 9 . 1 1 14 14 GLN CB C 14 32.163 32.163 32.008 0.155 25866
1043 1 9 . 1 1 15 15 ASP N N 15 124.496 124.496 120.405 4.091 25866
1044 1 9 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.540 0.371 25866
1045 1 9 . 1 1 15 15 ASP CA C 15 52.650 52.650 55.422 -2.772 25866
1046 1 9 . 1 1 15 15 ASP CB C 15 41.127 41.127 41.788 -0.661 25866
1047 1 9 . 1 1 16 16 ASP N N 16 118.260 118.260 120.100 -1.840 25866
1048 1 9 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.470 -0.021 25866
1049 1 9 . 1 1 16 16 ASP CA C 16 56.000 56.000 55.212 0.788 25866
1050 1 9 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.944 -0.813 25866
1051 1 9 . 1 1 17 17 ARG N N 17 120.200 120.200 119.228 0.972 25866
1052 1 9 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.423 0.047 25866
1053 1 9 . 1 1 17 17 ARG CA C 17 55.000 55.000 55.848 -0.848 25866
1054 1 9 . 1 1 17 17 ARG CB C 17 30.646 30.646 29.894 0.752 25866
1055 1 9 . 1 1 18 18 GLY N N 18 109.972 109.972 108.852 1.120 25866
1056 1 9 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.529 0.871 25866
1057 1 9 . 1 1 19 19 ARG N N 19 124.040 124.040 123.198 0.842 25866
1058 1 9 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.448 0.046 25866
1059 1 9 . 1 1 19 19 ARG CA C 19 56.070 56.070 56.109 -0.039 25866
1060 1 9 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.632 0.368 25866
1061 1 9 . 1 1 20 20 SER N N 20 121.540 121.540 120.673 0.867 25866
1062 1 9 . 1 1 20 20 SER HA H 20 5.135 5.135 4.508 0.627 25866
1063 1 9 . 1 1 20 20 SER CA C 20 59.487 59.487 57.581 1.906 25866
1064 1 9 . 1 1 20 20 SER CB C 20 64.070 64.070 64.536 -0.466 25866
1065 1 9 . 1 1 21 21 TYR N N 21 120.900 120.900 121.303 -0.403 25866
1066 1 9 . 1 1 21 21 TYR HA H 21 4.392 4.392 4.265 0.127 25866
1067 1 9 . 1 1 21 21 TYR CA C 21 55.700 55.700 56.331 -0.631 25866
1068 1 9 . 1 1 21 21 TYR CB C 21 38.246 38.246 39.883 -1.637 25866
1069 1 9 . 1 1 22 22 TYR N N 22 118.453 118.453 117.334 1.119 25866
1070 1 9 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.744 -0.545 25866
1071 1 9 . 1 1 22 22 TYR CA C 22 57.093 57.093 54.998 2.095 25866
1072 1 9 . 1 1 22 22 TYR CB C 22 40.891 40.891 41.585 -0.694 25866
1073 1 9 . 1 1 23 23 VAL N N 23 123.096 123.096 122.967 0.129 25866
1074 1 9 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.638 -0.188 25866
1075 1 9 . 1 1 23 23 VAL CA C 23 60.617 60.617 61.370 -0.752 25866
1076 1 9 . 1 1 23 23 VAL CB C 23 34.811 34.811 31.678 3.133 25866
1077 1 9 . 1 1 24 24 ASP N N 24 126.236 126.236 129.823 -3.587 25866
1078 1 9 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.740 -0.984 25866
1079 1 9 . 1 1 24 24 ASP CA C 24 51.513 51.513 53.785 -2.272 25866
1080 1 9 . 1 1 24 24 ASP CB C 24 39.372 39.372 40.495 -1.123 25866
1081 1 9 . 1 1 25 25 HIS N N 25 124.507 124.507 123.325 1.182 25866
1082 1 9 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.404 -0.195 25866
1083 1 9 . 1 1 25 25 HIS CA C 25 58.724 58.724 59.245 -0.521 25866
1084 1 9 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.725 -0.475 25866
1085 1 9 . 1 1 26 26 ASN N N 26 117.758 117.758 118.009 -0.251 25866
1086 1 9 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.672 -0.125 25866
1087 1 9 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.649 -0.349 25866
1088 1 9 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.506 0.094 25866
1089 1 9 . 1 1 27 27 SER HA H 27 4.361 4.361 4.562 -0.201 25866
1090 1 9 . 1 1 27 27 SER CA C 27 58.351 58.351 58.175 0.176 25866
1091 1 9 . 1 1 27 27 SER CB C 27 64.420 64.420 63.643 0.777 25866
1092 1 9 . 1 1 28 28 LYS N N 28 120.643 120.643 117.991 2.652 25866
1093 1 9 . 1 1 28 28 LYS HA H 28 3.881 3.881 3.969 -0.088 25866
1094 1 9 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.319 -0.483 25866
1095 1 9 . 1 1 28 28 LYS CB C 28 29.505 29.505 29.926 -0.421 25866
1096 1 9 . 1 1 29 29 THR N N 29 113.963 113.963 113.901 0.062 25866
1097 1 9 . 1 1 29 29 THR HA H 29 4.460 4.460 4.550 -0.090 25866
1098 1 9 . 1 1 29 29 THR CA C 29 61.338 61.338 60.875 0.463 25866
1099 1 9 . 1 1 29 29 THR CB C 29 71.257 71.257 70.687 0.570 25866
1100 1 9 . 1 1 30 30 THR N N 30 118.007 118.007 123.811 -5.804 25866
1101 1 9 . 1 1 30 30 THR HA H 30 5.211 5.211 4.885 0.326 25866
1102 1 9 . 1 1 30 30 THR CA C 30 61.015 61.015 62.004 -0.989 25866
1103 1 9 . 1 1 30 30 THR CB C 30 71.260 71.260 69.963 1.297 25866
1104 1 9 . 1 1 31 31 THR N N 31 119.453 119.453 119.306 0.147 25866
1105 1 9 . 1 1 31 31 THR HA H 31 4.790 4.790 4.596 0.194 25866
1106 1 9 . 1 1 31 31 THR CA C 31 59.882 59.882 60.218 -0.336 25866
1107 1 9 . 1 1 31 31 THR CB C 31 70.113 70.113 71.076 -0.964 25866
1108 1 9 . 1 1 32 32 TRP N N 32 125.784 125.784 128.342 -2.558 25866
1109 1 9 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.864 0.018 25866
1110 1 9 . 1 1 32 32 TRP CA C 32 58.335 58.335 57.271 1.064 25866
1111 1 9 . 1 1 32 32 TRP CB C 32 29.883 29.883 27.850 2.033 25866
1112 1 9 . 1 1 33 33 SER N N 33 118.326 118.326 121.013 -2.687 25866
1113 1 9 . 1 1 33 33 SER HA H 33 4.604 4.604 4.717 -0.113 25866
1114 1 9 . 1 1 33 33 SER CA C 33 57.210 57.210 56.528 0.682 25866
1115 1 9 . 1 1 33 33 SER CB C 33 64.000 64.000 67.168 -3.167 25866
1116 1 9 . 1 1 34 34 LYS N N 34 128.842 128.842 123.999 4.843 25866
1117 1 9 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.453 -1.543 25866
1118 1 9 . 1 1 34 34 LYS CA C 34 54.548 54.548 53.005 1.543 25866
1119 1 9 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.593 -0.041 25866
1120 1 9 . 1 1 35 35 PRO HA H 35 4.090 4.090 3.991 0.099 25866
1121 1 9 . 1 1 35 35 PRO CA C 35 62.200 62.200 63.434 -1.234 25866
1122 1 9 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.773 -0.366 25866
1123 1 9 . 1 1 36 36 THR N N 36 114.599 114.599 110.997 3.602 25866
1124 1 9 . 1 1 36 36 THR HA H 36 4.180 4.180 3.679 0.501 25866
1125 1 9 . 1 1 36 36 THR CA C 36 61.012 61.012 65.125 -4.113 25866
1126 1 9 . 1 1 36 36 THR CB C 36 70.447 70.447 68.143 2.304 25866
1127 1 9 . 1 1 37 37 MET N N 37 123.290 123.290 119.835 3.455 25866
1128 1 9 . 1 1 37 37 MET HA H 37 4.345 4.345 4.292 0.053 25866
1129 1 9 . 1 1 37 37 MET CA C 37 55.320 55.320 56.802 -1.482 25866
1130 1 9 . 1 1 37 37 MET CB C 37 32.540 32.540 33.421 -0.881 25866
1131 1 9 . 1 1 38 38 GLU N N 38 123.080 123.080 118.220 4.860 25866
1132 1 9 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.531 -0.161 25866
1133 1 9 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.145 -0.491 25866
1134 1 9 . 1 1 38 38 GLU CB C 38 29.889 29.889 31.882 -1.993 25866
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 30 2.478 -0.645 2.433 25866
2 1 1 "Average Difference" HA 34 0.503 -0.081 0.504 25866
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25866
4 1 1 "Average Difference" CA 34 1.218 0.049 1.236 25866
5 1 1 "Average Difference" CB 31 1.076 -0.012 1.094 25866
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25866
7 1 2 "Average Difference" N 30 2.422 -0.030 2.463 25866
8 1 2 "Average Difference" HA 34 0.500 -0.110 0.495 25866
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25866
10 1 2 "Average Difference" CA 34 1.075 0.067 1.089 25866
11 1 2 "Average Difference" CB 31 1.358 -0.112 1.375 25866
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25866
13 1 3 "Average Difference" N 30 2.368 -1.083 2.142 25866
14 1 3 "Average Difference" HA 34 0.511 -0.098 0.509 25866
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25866
16 1 3 "Average Difference" CA 34 1.075 0.054 1.089 25866
17 1 3 "Average Difference" CB 31 1.100 -0.137 1.110 25866
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25866
19 1 4 "Average Difference" N 30 2.713 -0.952 2.584 25866
20 1 4 "Average Difference" HA 34 0.560 -0.096 0.560 25866
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25866
22 1 4 "Average Difference" CA 34 0.909 0.036 0.922 25866
23 1 4 "Average Difference" CB 31 1.276 -0.206 1.280 25866
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25866
25 1 5 "Average Difference" N 30 2.915 -1.092 2.749 25866
26 1 5 "Average Difference" HA 34 0.561 -0.052 0.568 25866
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25866
28 1 5 "Average Difference" CA 34 1.094 -0.017 1.110 25866
29 1 5 "Average Difference" CB 31 1.382 -0.171 1.394 25866
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25866
31 1 6 "Average Difference" N 30 3.565 -1.718 3.177 25866
32 1 6 "Average Difference" HA 34 0.606 -0.099 0.607 25866
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25866
34 1 6 "Average Difference" CA 34 1.082 -0.114 1.092 25866
35 1 6 "Average Difference" CB 31 1.271 0.079 1.290 25866
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25866
37 1 7 "Average Difference" N 30 3.101 -1.142 2.932 25866
38 1 7 "Average Difference" HA 34 0.539 -0.082 0.540 25866
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25866
40 1 7 "Average Difference" CA 34 0.985 0.254 0.966 25866
41 1 7 "Average Difference" CB 31 1.279 0.019 1.301 25866
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25866
43 1 8 "Average Difference" N 30 3.351 -1.152 3.201 25866
44 1 8 "Average Difference" HA 34 0.519 0.067 0.522 25866
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25866
46 1 8 "Average Difference" CA 34 1.474 0.112 1.491 25866
47 1 8 "Average Difference" CB 31 1.279 -0.060 1.299 25866
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25866
49 1 9 "Average Difference" N 30 2.802 -0.598 2.784 25866
50 1 9 "Average Difference" HA 34 0.515 -0.057 0.519 25866
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25866
52 1 9 "Average Difference" CA 34 1.272 0.118 1.286 25866
53 1 9 "Average Difference" CB 31 1.418 -0.092 1.439 25866
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25866
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 25866
_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 5 5 GLY N N 5 111.909 111.909 110.128 1.781 25866
2 1 . 1 1 5 5 GLY CA C 5 45.449 45.449 44.741 0.708 25866
3 1 . 1 1 6 6 LEU N N 6 121.975 121.975 121.622 0.353 25866
4 1 . 1 1 6 6 LEU HA H 6 4.540 4.540 4.779 -0.239 25866
5 1 . 1 1 6 6 LEU CA C 6 52.250 52.250 52.155 0.095 25866
6 1 . 1 1 6 6 LEU CB C 6 42.450 42.450 41.523 0.927 25866
7 1 . 1 1 7 7 PRO HA H 7 4.700 4.700 4.600 0.100 25866
8 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.523 -0.323 25866
9 1 . 1 1 7 7 PRO CB C 7 29.700 29.700 30.974 -1.274 25866
10 1 . 1 1 8 8 PRO HA H 8 4.414 4.414 4.127 0.287 25866
11 1 . 1 1 8 8 PRO CA C 8 64.040 64.040 64.333 -0.293 25866
12 1 . 1 1 8 8 PRO CB C 8 31.784 31.784 31.128 0.656 25866
13 1 . 1 1 9 9 GLY N N 9 113.440 113.440 109.233 4.207 25866
14 1 . 1 1 9 9 GLY CA C 9 45.460 45.460 44.805 0.655 25866
15 1 . 1 1 10 10 TRP N N 10 119.937 119.937 120.221 -0.284 25866
16 1 . 1 1 10 10 TRP HA H 10 5.566 5.566 5.015 0.551 25866
17 1 . 1 1 10 10 TRP CA C 10 56.830 56.830 56.159 0.671 25866
18 1 . 1 1 10 10 TRP CB C 10 31.780 31.780 31.184 0.596 25866
19 1 . 1 1 11 11 GLU N N 11 122.950 122.950 122.326 0.624 25866
20 1 . 1 1 11 11 GLU HA H 11 4.630 4.630 4.696 -0.066 25866
21 1 . 1 1 11 11 GLU CA C 11 55.300 55.300 55.008 0.292 25866
22 1 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.357 1.043 25866
23 1 . 1 1 12 12 GLU N N 12 127.188 127.188 126.612 0.576 25866
24 1 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.716 -0.168 25866
25 1 . 1 1 12 12 GLU CA C 12 55.307 55.307 55.648 -0.341 25866
26 1 . 1 1 12 12 GLU CB C 12 31.411 31.411 30.819 0.592 25866
27 1 . 1 1 13 13 LYS N N 13 128.411 128.411 125.706 2.705 25866
28 1 . 1 1 13 13 LYS HA H 13 4.318 4.318 4.494 -0.176 25866
29 1 . 1 1 13 13 LYS CA C 13 54.170 54.170 53.993 0.177 25866
30 1 . 1 1 13 13 LYS CB C 13 35.204 35.204 35.315 -0.111 25866
31 1 . 1 1 14 14 GLN N N 14 117.310 117.310 121.721 -4.411 25866
32 1 . 1 1 14 14 GLN HA H 14 5.190 5.190 4.506 0.684 25866
33 1 . 1 1 14 14 GLN CA C 14 54.560 54.560 54.408 0.152 25866
34 1 . 1 1 14 14 GLN CB C 14 32.163 32.163 30.550 1.613 25866
35 1 . 1 1 15 15 ASP N N 15 124.496 124.496 122.330 2.166 25866
36 1 . 1 1 15 15 ASP HA H 15 4.911 4.911 4.724 0.187 25866
37 1 . 1 1 15 15 ASP CA C 15 52.650 52.650 54.109 -1.459 25866
38 1 . 1 1 15 15 ASP CB C 15 41.127 41.127 42.383 -1.256 25866
39 1 . 1 1 16 16 ASP N N 16 118.260 118.260 119.490 -1.230 25866
40 1 . 1 1 16 16 ASP HA H 16 4.449 4.449 4.510 -0.061 25866
41 1 . 1 1 16 16 ASP CA C 16 56.000 56.000 56.246 -0.246 25866
42 1 . 1 1 16 16 ASP CB C 16 40.130 40.130 40.960 -0.830 25866
43 1 . 1 1 17 17 ARG N N 17 120.200 120.200 118.067 2.133 25866
44 1 . 1 1 17 17 ARG HA H 17 4.470 4.470 4.399 0.071 25866
45 1 . 1 1 17 17 ARG CA C 17 55.000 55.000 56.161 -1.161 25866
46 1 . 1 1 17 17 ARG CB C 17 30.646 30.646 30.542 0.104 25866
47 1 . 1 1 18 18 GLY N N 18 109.972 109.972 107.417 2.555 25866
48 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.911 0.489 25866
49 1 . 1 1 19 19 ARG N N 19 124.040 124.040 121.580 2.460 25866
50 1 . 1 1 19 19 ARG HA H 19 4.494 4.494 4.562 -0.068 25866
51 1 . 1 1 19 19 ARG CA C 19 56.070 56.070 54.961 1.109 25866
52 1 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.932 0.068 25866
53 1 . 1 1 20 20 SER N N 20 121.540 121.540 120.730 0.810 25866
54 1 . 1 1 20 20 SER HA H 20 5.135 5.135 4.474 0.661 25866
55 1 . 1 1 20 20 SER CA C 20 59.487 59.487 58.019 1.468 25866
56 1 . 1 1 20 20 SER CB C 20 64.070 64.070 63.530 0.540 25866
57 1 . 1 1 21 21 TYR N N 21 120.900 120.900 123.313 -2.413 25866
58 1 . 1 1 21 21 TYR HA H 21 4.392 4.392 3.841 0.551 25866
59 1 . 1 1 21 21 TYR CA C 21 55.700 55.700 54.769 0.931 25866
60 1 . 1 1 21 21 TYR CB C 21 38.246 38.246 38.742 -0.496 25866
61 1 . 1 1 22 22 TYR N N 22 118.453 118.453 117.293 1.160 25866
62 1 . 1 1 22 22 TYR HA H 22 5.199 5.199 5.147 0.052 25866
63 1 . 1 1 22 22 TYR CA C 22 57.093 57.093 56.029 1.064 25866
64 1 . 1 1 22 22 TYR CB C 22 40.891 40.891 40.436 0.455 25866
65 1 . 1 1 23 23 VAL N N 23 123.096 123.096 121.916 1.180 25866
66 1 . 1 1 23 23 VAL HA H 23 4.450 4.450 4.504 -0.054 25866
67 1 . 1 1 23 23 VAL CA C 23 60.617 60.617 60.660 -0.042 25866
68 1 . 1 1 23 23 VAL CB C 23 34.811 34.811 33.374 1.437 25866
69 1 . 1 1 24 24 ASP N N 24 126.236 126.236 127.587 -1.351 25866
70 1 . 1 1 24 24 ASP HA H 24 3.756 3.756 4.654 -0.898 25866
71 1 . 1 1 24 24 ASP CA C 24 51.513 51.513 53.068 -1.555 25866
72 1 . 1 1 24 24 ASP CB C 24 39.372 39.372 41.785 -2.413 25866
73 1 . 1 1 25 25 HIS N N 25 124.507 124.507 124.037 0.470 25866
74 1 . 1 1 25 25 HIS HA H 25 4.209 4.209 4.360 -0.151 25866
75 1 . 1 1 25 25 HIS CA C 25 58.724 58.724 58.490 0.234 25866
76 1 . 1 1 25 25 HIS CB C 25 30.250 30.250 30.480 -0.230 25866
77 1 . 1 1 26 26 ASN N N 26 117.758 117.758 118.100 -0.342 25866
78 1 . 1 1 26 26 ASN HA H 26 4.547 4.547 4.495 0.052 25866
79 1 . 1 1 26 26 ASN CA C 26 55.300 55.300 55.482 -0.182 25866
80 1 . 1 1 26 26 ASN CB C 26 38.600 38.600 38.726 -0.126 25866
81 1 . 1 1 27 27 SER HA H 27 4.361 4.361 4.496 -0.135 25866
82 1 . 1 1 27 27 SER CA C 27 58.351 58.351 58.269 0.082 25866
83 1 . 1 1 27 27 SER CB C 27 64.420 64.420 63.913 0.507 25866
84 1 . 1 1 28 28 LYS N N 28 120.643 120.643 117.787 2.856 25866
85 1 . 1 1 28 28 LYS HA H 28 3.881 3.881 4.075 -0.194 25866
86 1 . 1 1 28 28 LYS CA C 28 56.836 56.836 57.132 -0.296 25866
87 1 . 1 1 28 28 LYS CB C 28 29.505 29.505 30.094 -0.589 25866
88 1 . 1 1 29 29 THR N N 29 113.963 113.963 113.539 0.424 25866
89 1 . 1 1 29 29 THR HA H 29 4.460 4.460 4.441 0.019 25866
90 1 . 1 1 29 29 THR CA C 29 61.338 61.338 61.470 -0.132 25866
91 1 . 1 1 29 29 THR CB C 29 71.257 71.257 70.561 0.696 25866
92 1 . 1 1 30 30 THR N N 30 118.007 118.007 119.905 -1.898 25866
93 1 . 1 1 30 30 THR HA H 30 5.211 5.211 4.768 0.443 25866
94 1 . 1 1 30 30 THR CA C 30 61.015 61.015 61.471 -0.456 25866
95 1 . 1 1 30 30 THR CB C 30 71.260 71.260 69.659 1.601 25866
96 1 . 1 1 31 31 THR N N 31 119.453 119.453 117.860 1.593 25866
97 1 . 1 1 31 31 THR HA H 31 4.790 4.790 4.435 0.355 25866
98 1 . 1 1 31 31 THR CA C 31 59.882 59.882 61.049 -1.167 25866
99 1 . 1 1 31 31 THR CB C 31 70.113 70.113 70.545 -0.432 25866
100 1 . 1 1 32 32 TRP N N 32 125.784 125.784 123.146 2.638 25866
101 1 . 1 1 32 32 TRP HA H 32 4.882 4.882 4.930 -0.048 25866
102 1 . 1 1 32 32 TRP CA C 32 58.335 58.335 57.400 0.935 25866
103 1 . 1 1 32 32 TRP CB C 32 29.883 29.883 28.754 1.129 25866
104 1 . 1 1 33 33 SER N N 33 118.326 118.326 118.751 -0.425 25866
105 1 . 1 1 33 33 SER HA H 33 4.604 4.604 4.769 -0.165 25866
106 1 . 1 1 33 33 SER CA C 33 57.210 57.210 57.156 0.054 25866
107 1 . 1 1 33 33 SER CB C 33 64.000 64.000 65.534 -1.534 25866
108 1 . 1 1 34 34 LYS N N 34 128.842 128.842 124.309 4.533 25866
109 1 . 1 1 34 34 LYS HA H 34 2.910 2.910 4.323 -1.413 25866
110 1 . 1 1 34 34 LYS CA C 34 54.548 54.548 54.155 0.393 25866
111 1 . 1 1 34 34 LYS CB C 34 32.552 32.552 32.105 0.447 25866
112 1 . 1 1 35 35 PRO HA H 35 4.090 4.090 2.905 1.185 25866
113 1 . 1 1 35 35 PRO CA C 35 62.200 62.200 62.353 -0.153 25866
114 1 . 1 1 35 35 PRO CB C 35 31.407 31.407 31.594 -0.187 25866
115 1 . 1 1 36 36 THR N N 36 114.599 114.599 113.129 1.470 25866
116 1 . 1 1 36 36 THR HA H 36 4.180 4.180 4.168 0.012 25866
117 1 . 1 1 36 36 THR CA C 36 61.012 61.012 64.058 -3.046 25866
118 1 . 1 1 36 36 THR CB C 36 70.447 70.447 68.910 1.537 25866
119 1 . 1 1 37 37 MET N N 37 123.290 123.290 120.553 2.737 25866
120 1 . 1 1 37 37 MET HA H 37 4.345 4.345 4.485 -0.140 25866
121 1 . 1 1 37 37 MET CA C 37 55.320 55.320 55.493 -0.173 25866
122 1 . 1 1 37 37 MET CB C 37 32.540 32.540 34.128 -1.588 25866
123 1 . 1 1 38 38 GLU N N 38 123.080 123.080 122.116 0.964 25866
124 1 . 1 1 38 38 GLU HA H 38 4.370 4.370 4.410 -0.040 25866
125 1 . 1 1 38 38 GLU CA C 38 55.654 55.654 56.248 -0.594 25866
126 1 . 1 1 38 38 GLU CB C 38 29.889 29.889 30.390 -0.501 25866
stop_
save_