data_17874
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17874
_Entry.PDB_ID 2LI1
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 17874
_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 3 3 THR N N 3 114.890 114.890 113.339 1.551 17874
2 1 1 . 1 1 3 3 THR HA H 3 4.510 4.510 4.547 -0.037 17874
3 1 1 . 1 1 3 3 THR C C 3 174.890 174.890 174.624 0.266 17874
4 1 1 . 1 1 3 3 THR CA C 3 61.750 61.750 61.966 -0.216 17874
5 1 1 . 1 1 3 3 THR CB C 3 70.050 70.050 69.201 0.850 17874
6 1 1 . 1 1 3 3 THR H H 3 8.360 8.360 8.196 0.164 17874
7 1 1 . 1 1 4 4 THR N N 4 115.500 115.500 114.626 0.874 17874
8 1 1 . 1 1 4 4 THR HA H 4 4.640 4.640 4.882 -0.242 17874
9 1 1 . 1 1 4 4 THR C C 4 173.670 173.670 173.795 -0.125 17874
10 1 1 . 1 1 4 4 THR CA C 4 59.760 59.760 61.404 -1.644 17874
11 1 1 . 1 1 4 4 THR CB C 4 78.310 78.310 70.370 7.940 17874
12 1 1 . 1 1 4 4 THR H H 4 8.620 8.620 8.185 0.435 17874
13 1 1 . 1 1 5 5 THR N N 5 116.720 116.720 112.520 4.200 17874
14 1 1 . 1 1 5 5 THR HA H 5 4.550 4.550 4.542 0.008 17874
15 1 1 . 1 1 5 5 THR C C 5 172.390 172.390 172.078 0.312 17874
16 1 1 . 1 1 5 5 THR CA C 5 59.780 59.780 59.211 0.569 17874
17 1 1 . 1 1 5 5 THR CB C 5 69.710 69.710 69.728 -0.018 17874
18 1 1 . 1 1 5 5 THR H H 5 8.310 8.310 7.975 0.335 17874
19 1 1 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.364 0.006 17874
20 1 1 . 1 1 6 6 PRO C C 6 176.950 176.950 176.331 0.619 17874
21 1 1 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.239 -0.199 17874
22 1 1 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.693 0.427 17874
23 1 1 . 1 1 7 7 LEU N N 7 123.250 123.250 126.427 -3.177 17874
24 1 1 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.315 -0.055 17874
25 1 1 . 1 1 7 7 LEU C C 7 177.570 177.570 176.640 0.930 17874
26 1 1 . 1 1 7 7 LEU CA C 7 55.510 55.510 55.344 0.166 17874
27 1 1 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.479 0.841 17874
28 1 1 . 1 1 7 7 LEU H H 7 8.410 8.410 8.402 0.008 17874
29 1 2 . 1 1 3 3 THR N N 3 114.890 114.890 113.817 1.073 17874
30 1 2 . 1 1 3 3 THR HA H 3 4.510 4.510 4.419 0.091 17874
31 1 2 . 1 1 3 3 THR C C 3 174.890 174.890 173.980 0.910 17874
32 1 2 . 1 1 3 3 THR CA C 3 61.750 61.750 61.581 0.169 17874
33 1 2 . 1 1 3 3 THR CB C 3 70.050 70.050 69.354 0.696 17874
34 1 2 . 1 1 3 3 THR H H 3 8.360 8.360 7.884 0.476 17874
35 1 2 . 1 1 4 4 THR N N 4 115.500 115.500 115.502 -0.002 17874
36 1 2 . 1 1 4 4 THR HA H 4 4.640 4.640 4.535 0.105 17874
37 1 2 . 1 1 4 4 THR C C 4 173.670 173.670 174.853 -1.183 17874
38 1 2 . 1 1 4 4 THR CA C 4 59.760 59.760 61.707 -1.947 17874
39 1 2 . 1 1 4 4 THR CB C 4 78.310 78.310 69.857 8.453 17874
40 1 2 . 1 1 4 4 THR H H 4 8.620 8.620 7.757 0.863 17874
41 1 2 . 1 1 5 5 THR N N 5 116.720 116.720 115.296 1.424 17874
42 1 2 . 1 1 5 5 THR HA H 5 4.550 4.550 4.548 0.002 17874
43 1 2 . 1 1 5 5 THR C C 5 172.390 172.390 173.605 -1.215 17874
44 1 2 . 1 1 5 5 THR CA C 5 59.780 59.780 59.031 0.749 17874
45 1 2 . 1 1 5 5 THR CB C 5 69.710 69.710 69.928 -0.218 17874
46 1 2 . 1 1 5 5 THR H H 5 8.310 8.310 8.104 0.206 17874
47 1 2 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.386 -0.016 17874
48 1 2 . 1 1 6 6 PRO C C 6 176.950 176.950 175.725 1.225 17874
49 1 2 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.767 -0.727 17874
50 1 2 . 1 1 6 6 PRO CB C 6 32.120 32.120 29.851 2.269 17874
51 1 2 . 1 1 7 7 LEU N N 7 123.250 123.250 122.637 0.613 17874
52 1 2 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.856 -0.596 17874
53 1 2 . 1 1 7 7 LEU C C 7 177.570 177.570 175.002 2.568 17874
54 1 2 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.001 1.509 17874
55 1 2 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.679 -2.359 17874
56 1 2 . 1 1 7 7 LEU H H 7 8.410 8.410 8.004 0.406 17874
57 1 3 . 1 1 3 3 THR N N 3 114.890 114.890 113.307 1.583 17874
58 1 3 . 1 1 3 3 THR HA H 3 4.510 4.510 4.542 -0.032 17874
59 1 3 . 1 1 3 3 THR C C 3 174.890 174.890 174.564 0.326 17874
60 1 3 . 1 1 3 3 THR CA C 3 61.750 61.750 62.008 -0.258 17874
61 1 3 . 1 1 3 3 THR CB C 3 70.050 70.050 69.672 0.378 17874
62 1 3 . 1 1 3 3 THR H H 3 8.360 8.360 7.878 0.482 17874
63 1 3 . 1 1 4 4 THR N N 4 115.500 115.500 113.491 2.009 17874
64 1 3 . 1 1 4 4 THR HA H 4 4.640 4.640 4.475 0.165 17874
65 1 3 . 1 1 4 4 THR C C 4 173.670 173.670 174.311 -0.641 17874
66 1 3 . 1 1 4 4 THR CA C 4 59.760 59.760 61.558 -1.798 17874
67 1 3 . 1 1 4 4 THR CB C 4 78.310 78.310 69.089 9.221 17874
68 1 3 . 1 1 4 4 THR H H 4 8.620 8.620 7.918 0.702 17874
69 1 3 . 1 1 5 5 THR N N 5 116.720 116.720 120.097 -3.377 17874
70 1 3 . 1 1 5 5 THR HA H 5 4.550 4.550 4.484 0.066 17874
71 1 3 . 1 1 5 5 THR C C 5 172.390 172.390 172.839 -0.449 17874
72 1 3 . 1 1 5 5 THR CA C 5 59.780 59.780 59.866 -0.086 17874
73 1 3 . 1 1 5 5 THR CB C 5 69.710 69.710 69.097 0.613 17874
74 1 3 . 1 1 5 5 THR H H 5 8.310 8.310 7.443 0.867 17874
75 1 3 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.269 0.101 17874
76 1 3 . 1 1 6 6 PRO C C 6 176.950 176.950 175.568 1.382 17874
77 1 3 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.857 -0.817 17874
78 1 3 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.159 0.961 17874
79 1 3 . 1 1 7 7 LEU N N 7 123.250 123.250 124.470 -1.220 17874
80 1 3 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.511 -0.251 17874
81 1 3 . 1 1 7 7 LEU C C 7 177.570 177.570 175.174 2.396 17874
82 1 3 . 1 1 7 7 LEU CA C 7 55.510 55.510 53.942 1.568 17874
83 1 3 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.558 -2.238 17874
84 1 3 . 1 1 7 7 LEU H H 7 8.410 8.410 7.667 0.743 17874
85 1 4 . 1 1 3 3 THR N N 3 114.890 114.890 114.522 0.368 17874
86 1 4 . 1 1 3 3 THR HA H 3 4.510 4.510 4.486 0.024 17874
87 1 4 . 1 1 3 3 THR C C 3 174.890 174.890 173.576 1.314 17874
88 1 4 . 1 1 3 3 THR CA C 3 61.750 61.750 62.089 -0.339 17874
89 1 4 . 1 1 3 3 THR CB C 3 70.050 70.050 69.367 0.683 17874
90 1 4 . 1 1 3 3 THR H H 3 8.360 8.360 8.089 0.271 17874
91 1 4 . 1 1 4 4 THR N N 4 115.500 115.500 115.040 0.460 17874
92 1 4 . 1 1 4 4 THR HA H 4 4.640 4.640 4.566 0.074 17874
93 1 4 . 1 1 4 4 THR C C 4 173.670 173.670 174.617 -0.947 17874
94 1 4 . 1 1 4 4 THR CA C 4 59.760 59.760 62.003 -2.243 17874
95 1 4 . 1 1 4 4 THR CB C 4 78.310 78.310 70.177 8.133 17874
96 1 4 . 1 1 4 4 THR H H 4 8.620 8.620 7.739 0.881 17874
97 1 4 . 1 1 5 5 THR N N 5 116.720 116.720 116.852 -0.132 17874
98 1 4 . 1 1 5 5 THR HA H 5 4.550 4.550 4.587 -0.037 17874
99 1 4 . 1 1 5 5 THR C C 5 172.390 172.390 172.787 -0.397 17874
100 1 4 . 1 1 5 5 THR CA C 5 59.780 59.780 60.644 -0.864 17874
101 1 4 . 1 1 5 5 THR CB C 5 69.710 69.710 69.160 0.550 17874
102 1 4 . 1 1 5 5 THR H H 5 8.310 8.310 8.142 0.168 17874
103 1 4 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.576 -0.206 17874
104 1 4 . 1 1 6 6 PRO C C 6 176.950 176.950 175.330 1.620 17874
105 1 4 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.102 -0.062 17874
106 1 4 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.328 -0.208 17874
107 1 4 . 1 1 7 7 LEU N N 7 123.250 123.250 117.456 5.794 17874
108 1 4 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.729 -0.469 17874
109 1 4 . 1 1 7 7 LEU C C 7 177.570 177.570 174.751 2.819 17874
110 1 4 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.061 1.449 17874
111 1 4 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.576 -0.256 17874
112 1 4 . 1 1 7 7 LEU H H 7 8.410 8.410 7.922 0.488 17874
113 1 5 . 1 1 3 3 THR N N 3 114.890 114.890 116.332 -1.442 17874
114 1 5 . 1 1 3 3 THR HA H 3 4.510 4.510 4.451 0.059 17874
115 1 5 . 1 1 3 3 THR C C 3 174.890 174.890 173.800 1.090 17874
116 1 5 . 1 1 3 3 THR CA C 3 61.750 61.750 61.664 0.086 17874
117 1 5 . 1 1 3 3 THR CB C 3 70.050 70.050 69.433 0.618 17874
118 1 5 . 1 1 3 3 THR H H 3 8.360 8.360 8.054 0.306 17874
119 1 5 . 1 1 4 4 THR N N 4 115.500 115.500 115.326 0.174 17874
120 1 5 . 1 1 4 4 THR HA H 4 4.640 4.640 4.544 0.096 17874
121 1 5 . 1 1 4 4 THR C C 4 173.670 173.670 174.140 -0.470 17874
122 1 5 . 1 1 4 4 THR CA C 4 59.760 59.760 61.752 -1.992 17874
123 1 5 . 1 1 4 4 THR CB C 4 78.310 78.310 69.808 8.502 17874
124 1 5 . 1 1 4 4 THR H H 4 8.620 8.620 7.617 1.003 17874
125 1 5 . 1 1 5 5 THR N N 5 116.720 116.720 115.085 1.635 17874
126 1 5 . 1 1 5 5 THR HA H 5 4.550 4.550 4.548 0.002 17874
127 1 5 . 1 1 5 5 THR C C 5 172.390 172.390 172.200 0.190 17874
128 1 5 . 1 1 5 5 THR CA C 5 59.780 59.780 60.334 -0.554 17874
129 1 5 . 1 1 5 5 THR CB C 5 69.710 69.710 68.960 0.750 17874
130 1 5 . 1 1 5 5 THR H H 5 8.310 8.310 8.055 0.255 17874
131 1 5 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.703 -0.333 17874
132 1 5 . 1 1 6 6 PRO C C 6 176.950 176.950 176.378 0.572 17874
133 1 5 . 1 1 6 6 PRO CA C 6 63.040 63.040 62.635 0.405 17874
134 1 5 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.853 0.267 17874
135 1 5 . 1 1 7 7 LEU N N 7 123.250 123.250 119.589 3.661 17874
136 1 5 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.644 -0.384 17874
137 1 5 . 1 1 7 7 LEU C C 7 177.570 177.570 176.234 1.336 17874
138 1 5 . 1 1 7 7 LEU CA C 7 55.510 55.510 55.138 0.372 17874
139 1 5 . 1 1 7 7 LEU CB C 7 42.320 42.320 43.148 -0.828 17874
140 1 5 . 1 1 7 7 LEU H H 7 8.410 8.410 7.948 0.462 17874
141 1 6 . 1 1 3 3 THR N N 3 114.890 114.890 116.551 -1.661 17874
142 1 6 . 1 1 3 3 THR HA H 3 4.510 4.510 4.435 0.075 17874
143 1 6 . 1 1 3 3 THR C C 3 174.890 174.890 173.986 0.904 17874
144 1 6 . 1 1 3 3 THR CA C 3 61.750 61.750 61.676 0.074 17874
145 1 6 . 1 1 3 3 THR CB C 3 70.050 70.050 69.434 0.616 17874
146 1 6 . 1 1 3 3 THR H H 3 8.360 8.360 8.008 0.352 17874
147 1 6 . 1 1 4 4 THR N N 4 115.500 115.500 116.555 -1.055 17874
148 1 6 . 1 1 4 4 THR HA H 4 4.640 4.640 4.588 0.052 17874
149 1 6 . 1 1 4 4 THR C C 4 173.670 173.670 174.818 -1.148 17874
150 1 6 . 1 1 4 4 THR CA C 4 59.760 59.760 61.711 -1.951 17874
151 1 6 . 1 1 4 4 THR CB C 4 78.310 78.310 69.613 8.697 17874
152 1 6 . 1 1 4 4 THR H H 4 8.620 8.620 7.728 0.892 17874
153 1 6 . 1 1 5 5 THR N N 5 116.720 116.720 115.770 0.950 17874
154 1 6 . 1 1 5 5 THR HA H 5 4.550 4.550 4.558 -0.008 17874
155 1 6 . 1 1 5 5 THR C C 5 172.390 172.390 173.774 -1.384 17874
156 1 6 . 1 1 5 5 THR CA C 5 59.780 59.780 59.129 0.651 17874
157 1 6 . 1 1 5 5 THR CB C 5 69.710 69.710 69.870 -0.160 17874
158 1 6 . 1 1 5 5 THR H H 5 8.310 8.310 8.115 0.195 17874
159 1 6 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.263 0.107 17874
160 1 6 . 1 1 6 6 PRO C C 6 176.950 176.950 175.677 1.273 17874
161 1 6 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.105 -0.065 17874
162 1 6 . 1 1 6 6 PRO CB C 6 32.120 32.120 30.554 1.566 17874
163 1 6 . 1 1 7 7 LEU N N 7 123.250 123.250 126.221 -2.971 17874
164 1 6 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.404 -0.144 17874
165 1 6 . 1 1 7 7 LEU C C 7 177.570 177.570 175.775 1.795 17874
166 1 6 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.904 0.606 17874
167 1 6 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.925 0.395 17874
168 1 6 . 1 1 7 7 LEU H H 7 8.410 8.410 8.098 0.312 17874
169 1 7 . 1 1 3 3 THR N N 3 114.890 114.890 114.939 -0.049 17874
170 1 7 . 1 1 3 3 THR HA H 3 4.510 4.510 4.570 -0.060 17874
171 1 7 . 1 1 3 3 THR C C 3 174.890 174.890 174.114 0.776 17874
172 1 7 . 1 1 3 3 THR CA C 3 61.750 61.750 62.246 -0.496 17874
173 1 7 . 1 1 3 3 THR CB C 3 70.050 70.050 69.455 0.595 17874
174 1 7 . 1 1 3 3 THR H H 3 8.360 8.360 8.145 0.215 17874
175 1 7 . 1 1 4 4 THR N N 4 115.500 115.500 113.481 2.019 17874
176 1 7 . 1 1 4 4 THR HA H 4 4.640 4.640 4.473 0.167 17874
177 1 7 . 1 1 4 4 THR C C 4 173.670 173.670 174.576 -0.906 17874
178 1 7 . 1 1 4 4 THR CA C 4 59.760 59.760 62.099 -2.339 17874
179 1 7 . 1 1 4 4 THR CB C 4 78.310 78.310 69.337 8.973 17874
180 1 7 . 1 1 4 4 THR H H 4 8.620 8.620 7.750 0.871 17874
181 1 7 . 1 1 5 5 THR N N 5 116.720 116.720 118.949 -2.229 17874
182 1 7 . 1 1 5 5 THR HA H 5 4.550 4.550 4.478 0.072 17874
183 1 7 . 1 1 5 5 THR C C 5 172.390 172.390 172.707 -0.317 17874
184 1 7 . 1 1 5 5 THR CA C 5 59.780 59.780 60.234 -0.454 17874
185 1 7 . 1 1 5 5 THR CB C 5 69.710 69.710 69.454 0.256 17874
186 1 7 . 1 1 5 5 THR H H 5 8.310 8.310 7.852 0.458 17874
187 1 7 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.344 0.026 17874
188 1 7 . 1 1 6 6 PRO C C 6 176.950 176.950 175.509 1.441 17874
189 1 7 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.853 -0.813 17874
190 1 7 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.926 0.194 17874
191 1 7 . 1 1 7 7 LEU N N 7 123.250 123.250 125.039 -1.789 17874
192 1 7 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.522 -0.262 17874
193 1 7 . 1 1 7 7 LEU C C 7 177.570 177.570 175.639 1.931 17874
194 1 7 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.715 0.795 17874
195 1 7 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.133 -1.812 17874
196 1 7 . 1 1 7 7 LEU H H 7 8.410 8.410 7.811 0.599 17874
197 1 8 . 1 1 3 3 THR N N 3 114.890 114.890 114.275 0.615 17874
198 1 8 . 1 1 3 3 THR HA H 3 4.510 4.510 4.493 0.017 17874
199 1 8 . 1 1 3 3 THR C C 3 174.890 174.890 173.757 1.133 17874
200 1 8 . 1 1 3 3 THR CA C 3 61.750 61.750 61.855 -0.105 17874
201 1 8 . 1 1 3 3 THR CB C 3 70.050 70.050 69.572 0.478 17874
202 1 8 . 1 1 3 3 THR H H 3 8.360 8.360 8.131 0.229 17874
203 1 8 . 1 1 4 4 THR N N 4 115.500 115.500 115.652 -0.152 17874
204 1 8 . 1 1 4 4 THR HA H 4 4.640 4.640 4.603 0.037 17874
205 1 8 . 1 1 4 4 THR C C 4 173.670 173.670 174.321 -0.651 17874
206 1 8 . 1 1 4 4 THR CA C 4 59.760 59.760 62.228 -2.468 17874
207 1 8 . 1 1 4 4 THR CB C 4 78.310 78.310 70.254 8.056 17874
208 1 8 . 1 1 4 4 THR H H 4 8.620 8.620 7.879 0.741 17874
209 1 8 . 1 1 5 5 THR N N 5 116.720 116.720 117.180 -0.460 17874
210 1 8 . 1 1 5 5 THR HA H 5 4.550 4.550 4.597 -0.047 17874
211 1 8 . 1 1 5 5 THR C C 5 172.390 172.390 172.805 -0.415 17874
212 1 8 . 1 1 5 5 THR CA C 5 59.780 59.780 61.122 -1.342 17874
213 1 8 . 1 1 5 5 THR CB C 5 69.710 69.710 68.874 0.836 17874
214 1 8 . 1 1 5 5 THR H H 5 8.310 8.310 8.261 0.049 17874
215 1 8 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.550 -0.180 17874
216 1 8 . 1 1 6 6 PRO C C 6 176.950 176.950 175.698 1.252 17874
217 1 8 . 1 1 6 6 PRO CA C 6 63.040 63.040 62.955 0.086 17874
218 1 8 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.666 -0.546 17874
219 1 8 . 1 1 7 7 LEU N N 7 123.250 123.250 120.883 2.367 17874
220 1 8 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.615 -0.355 17874
221 1 8 . 1 1 7 7 LEU C C 7 177.570 177.570 175.506 2.064 17874
222 1 8 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.262 1.248 17874
223 1 8 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.768 -2.448 17874
224 1 8 . 1 1 7 7 LEU H H 7 8.410 8.410 8.596 -0.186 17874
225 1 9 . 1 1 3 3 THR N N 3 114.890 114.890 115.064 -0.174 17874
226 1 9 . 1 1 3 3 THR HA H 3 4.510 4.510 4.436 0.074 17874
227 1 9 . 1 1 3 3 THR C C 3 174.890 174.890 174.248 0.642 17874
228 1 9 . 1 1 3 3 THR CA C 3 61.750 61.750 61.865 -0.115 17874
229 1 9 . 1 1 3 3 THR CB C 3 70.050 70.050 70.001 0.049 17874
230 1 9 . 1 1 3 3 THR H H 3 8.360 8.360 8.129 0.231 17874
231 1 9 . 1 1 4 4 THR N N 4 115.500 115.500 115.646 -0.146 17874
232 1 9 . 1 1 4 4 THR HA H 4 4.640 4.640 4.708 -0.068 17874
233 1 9 . 1 1 4 4 THR C C 4 173.670 173.670 173.849 -0.179 17874
234 1 9 . 1 1 4 4 THR CA C 4 59.760 59.760 61.771 -2.011 17874
235 1 9 . 1 1 4 4 THR CB C 4 78.310 78.310 71.505 6.805 17874
236 1 9 . 1 1 4 4 THR H H 4 8.620 8.620 8.072 0.548 17874
237 1 9 . 1 1 5 5 THR N N 5 116.720 116.720 113.316 3.404 17874
238 1 9 . 1 1 5 5 THR HA H 5 4.550 4.550 4.546 0.004 17874
239 1 9 . 1 1 5 5 THR C C 5 172.390 172.390 172.130 0.260 17874
240 1 9 . 1 1 5 5 THR CA C 5 59.780 59.780 59.109 0.671 17874
241 1 9 . 1 1 5 5 THR CB C 5 69.710 69.710 69.871 -0.161 17874
242 1 9 . 1 1 5 5 THR H H 5 8.310 8.310 7.979 0.331 17874
243 1 9 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.341 0.029 17874
244 1 9 . 1 1 6 6 PRO C C 6 176.950 176.950 176.663 0.287 17874
245 1 9 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.484 -0.445 17874
246 1 9 . 1 1 6 6 PRO CB C 6 32.120 32.120 30.854 1.266 17874
247 1 9 . 1 1 7 7 LEU N N 7 123.250 123.250 117.682 5.568 17874
248 1 9 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.393 -0.133 17874
249 1 9 . 1 1 7 7 LEU C C 7 177.570 177.570 176.930 0.640 17874
250 1 9 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.378 1.132 17874
251 1 9 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.205 1.115 17874
252 1 9 . 1 1 7 7 LEU H H 7 8.410 8.410 8.330 0.080 17874
253 1 10 . 1 1 3 3 THR N N 3 114.890 114.890 114.779 0.111 17874
254 1 10 . 1 1 3 3 THR HA H 3 4.510 4.510 4.419 0.091 17874
255 1 10 . 1 1 3 3 THR C C 3 174.890 174.890 173.949 0.941 17874
256 1 10 . 1 1 3 3 THR CA C 3 61.750 61.750 61.850 -0.100 17874
257 1 10 . 1 1 3 3 THR CB C 3 70.050 70.050 69.405 0.645 17874
258 1 10 . 1 1 3 3 THR H H 3 8.360 8.360 7.969 0.391 17874
259 1 10 . 1 1 4 4 THR N N 4 115.500 115.500 116.059 -0.559 17874
260 1 10 . 1 1 4 4 THR HA H 4 4.640 4.640 4.600 0.040 17874
261 1 10 . 1 1 4 4 THR C C 4 173.670 173.670 174.951 -1.281 17874
262 1 10 . 1 1 4 4 THR CA C 4 59.760 59.760 61.806 -2.046 17874
263 1 10 . 1 1 4 4 THR CB C 4 78.310 78.310 69.650 8.661 17874
264 1 10 . 1 1 4 4 THR H H 4 8.620 8.620 7.756 0.864 17874
265 1 10 . 1 1 5 5 THR N N 5 116.720 116.720 116.066 0.654 17874
266 1 10 . 1 1 5 5 THR HA H 5 4.550 4.550 4.607 -0.057 17874
267 1 10 . 1 1 5 5 THR C C 5 172.390 172.390 173.525 -1.135 17874
268 1 10 . 1 1 5 5 THR CA C 5 59.780 59.780 59.574 0.206 17874
269 1 10 . 1 1 5 5 THR CB C 5 69.710 69.710 69.691 0.019 17874
270 1 10 . 1 1 5 5 THR H H 5 8.310 8.310 8.060 0.250 17874
271 1 10 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.371 -0.001 17874
272 1 10 . 1 1 6 6 PRO C C 6 176.950 176.950 175.304 1.646 17874
273 1 10 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.898 -0.858 17874
274 1 10 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.858 0.262 17874
275 1 10 . 1 1 7 7 LEU N N 7 123.250 123.250 123.905 -0.655 17874
276 1 10 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.483 -0.223 17874
277 1 10 . 1 1 7 7 LEU C C 7 177.570 177.570 175.350 2.220 17874
278 1 10 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.787 0.723 17874
279 1 10 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.969 -0.649 17874
280 1 10 . 1 1 7 7 LEU H H 7 8.410 8.410 7.699 0.711 17874
281 1 11 . 1 1 3 3 THR N N 3 114.890 114.890 114.017 0.873 17874
282 1 11 . 1 1 3 3 THR HA H 3 4.510 4.510 4.478 0.032 17874
283 1 11 . 1 1 3 3 THR C C 3 174.890 174.890 174.670 0.220 17874
284 1 11 . 1 1 3 3 THR CA C 3 61.750 61.750 62.154 -0.404 17874
285 1 11 . 1 1 3 3 THR CB C 3 70.050 70.050 69.397 0.653 17874
286 1 11 . 1 1 3 3 THR H H 3 8.360 8.360 8.290 0.070 17874
287 1 11 . 1 1 4 4 THR N N 4 115.500 115.500 115.308 0.192 17874
288 1 11 . 1 1 4 4 THR HA H 4 4.640 4.640 4.935 -0.295 17874
289 1 11 . 1 1 4 4 THR C C 4 173.670 173.670 174.009 -0.339 17874
290 1 11 . 1 1 4 4 THR CA C 4 59.760 59.760 61.671 -1.911 17874
291 1 11 . 1 1 4 4 THR CB C 4 78.310 78.310 70.611 7.699 17874
292 1 11 . 1 1 4 4 THR H H 4 8.620 8.620 8.004 0.616 17874
293 1 11 . 1 1 5 5 THR N N 5 116.720 116.720 113.118 3.602 17874
294 1 11 . 1 1 5 5 THR HA H 5 4.550 4.550 4.500 0.050 17874
295 1 11 . 1 1 5 5 THR C C 5 172.390 172.390 171.909 0.481 17874
296 1 11 . 1 1 5 5 THR CA C 5 59.780 59.780 59.781 -0.001 17874
297 1 11 . 1 1 5 5 THR CB C 5 69.710 69.710 70.117 -0.407 17874
298 1 11 . 1 1 5 5 THR H H 5 8.310 8.310 8.038 0.272 17874
299 1 11 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.523 -0.153 17874
300 1 11 . 1 1 6 6 PRO C C 6 176.950 176.950 175.832 1.118 17874
301 1 11 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.719 -0.679 17874
302 1 11 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.838 0.282 17874
303 1 11 . 1 1 7 7 LEU N N 7 123.250 123.250 122.984 0.266 17874
304 1 11 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.608 -0.348 17874
305 1 11 . 1 1 7 7 LEU C C 7 177.570 177.570 176.555 1.015 17874
306 1 11 . 1 1 7 7 LEU CA C 7 55.510 55.510 53.845 1.665 17874
307 1 11 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.565 -2.245 17874
308 1 11 . 1 1 7 7 LEU H H 7 8.410 8.410 7.852 0.558 17874
309 1 12 . 1 1 3 3 THR N N 3 114.890 114.890 113.274 1.616 17874
310 1 12 . 1 1 3 3 THR HA H 3 4.510 4.510 4.482 0.028 17874
311 1 12 . 1 1 3 3 THR C C 3 174.890 174.890 174.874 0.016 17874
312 1 12 . 1 1 3 3 THR CA C 3 61.750 61.750 61.902 -0.152 17874
313 1 12 . 1 1 3 3 THR CB C 3 70.050 70.050 69.411 0.639 17874
314 1 12 . 1 1 3 3 THR H H 3 8.360 8.360 8.165 0.195 17874
315 1 12 . 1 1 4 4 THR N N 4 115.500 115.500 114.761 0.739 17874
316 1 12 . 1 1 4 4 THR HA H 4 4.640 4.640 4.775 -0.135 17874
317 1 12 . 1 1 4 4 THR C C 4 173.670 173.670 173.767 -0.097 17874
318 1 12 . 1 1 4 4 THR CA C 4 59.760 59.760 61.606 -1.846 17874
319 1 12 . 1 1 4 4 THR CB C 4 78.310 78.310 70.875 7.435 17874
320 1 12 . 1 1 4 4 THR H H 4 8.620 8.620 8.220 0.400 17874
321 1 12 . 1 1 5 5 THR N N 5 116.720 116.720 112.835 3.885 17874
322 1 12 . 1 1 5 5 THR HA H 5 4.550 4.550 4.552 -0.002 17874
323 1 12 . 1 1 5 5 THR C C 5 172.390 172.390 172.093 0.297 17874
324 1 12 . 1 1 5 5 THR CA C 5 59.780 59.780 59.251 0.529 17874
325 1 12 . 1 1 5 5 THR CB C 5 69.710 69.710 69.832 -0.122 17874
326 1 12 . 1 1 5 5 THR H H 5 8.310 8.310 7.959 0.351 17874
327 1 12 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.296 0.074 17874
328 1 12 . 1 1 6 6 PRO C C 6 176.950 176.950 175.887 1.063 17874
329 1 12 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.052 -0.012 17874
330 1 12 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.082 1.038 17874
331 1 12 . 1 1 7 7 LEU N N 7 123.250 123.250 126.532 -3.282 17874
332 1 12 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.413 -0.153 17874
333 1 12 . 1 1 7 7 LEU C C 7 177.570 177.570 175.926 1.644 17874
334 1 12 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.921 0.589 17874
335 1 12 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.904 0.416 17874
336 1 12 . 1 1 7 7 LEU H H 7 8.410 8.410 8.116 0.294 17874
337 1 13 . 1 1 3 3 THR N N 3 114.890 114.890 114.518 0.372 17874
338 1 13 . 1 1 3 3 THR HA H 3 4.510 4.510 4.468 0.042 17874
339 1 13 . 1 1 3 3 THR C C 3 174.890 174.890 174.430 0.460 17874
340 1 13 . 1 1 3 3 THR CA C 3 61.750 61.750 62.145 -0.396 17874
341 1 13 . 1 1 3 3 THR CB C 3 70.050 70.050 69.502 0.548 17874
342 1 13 . 1 1 3 3 THR H H 3 8.360 8.360 8.174 0.186 17874
343 1 13 . 1 1 4 4 THR N N 4 115.500 115.500 113.731 1.769 17874
344 1 13 . 1 1 4 4 THR HA H 4 4.640 4.640 4.959 -0.319 17874
345 1 13 . 1 1 4 4 THR C C 4 173.670 173.670 173.582 0.088 17874
346 1 13 . 1 1 4 4 THR CA C 4 59.760 59.760 61.081 -1.321 17874
347 1 13 . 1 1 4 4 THR CB C 4 78.310 78.310 70.359 7.951 17874
348 1 13 . 1 1 4 4 THR H H 4 8.620 8.620 7.928 0.692 17874
349 1 13 . 1 1 5 5 THR N N 5 116.720 116.720 114.181 2.539 17874
350 1 13 . 1 1 5 5 THR HA H 5 4.550 4.550 4.486 0.064 17874
351 1 13 . 1 1 5 5 THR C C 5 172.390 172.390 171.886 0.504 17874
352 1 13 . 1 1 5 5 THR CA C 5 59.780 59.780 59.604 0.176 17874
353 1 13 . 1 1 5 5 THR CB C 5 69.710 69.710 70.013 -0.303 17874
354 1 13 . 1 1 5 5 THR H H 5 8.310 8.310 8.026 0.284 17874
355 1 13 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.380 -0.010 17874
356 1 13 . 1 1 6 6 PRO C C 6 176.950 176.950 176.577 0.373 17874
357 1 13 . 1 1 6 6 PRO CA C 6 63.040 63.040 62.948 0.092 17874
358 1 13 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.779 0.341 17874
359 1 13 . 1 1 7 7 LEU N N 7 123.250 123.250 125.622 -2.372 17874
360 1 13 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.306 -0.045 17874
361 1 13 . 1 1 7 7 LEU C C 7 177.570 177.570 176.670 0.900 17874
362 1 13 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.640 0.870 17874
363 1 13 . 1 1 7 7 LEU CB C 7 42.320 42.320 40.245 2.075 17874
364 1 13 . 1 1 7 7 LEU H H 7 8.410 8.410 8.307 0.103 17874
365 1 14 . 1 1 3 3 THR N N 3 114.890 114.890 114.207 0.683 17874
366 1 14 . 1 1 3 3 THR HA H 3 4.510 4.510 4.484 0.026 17874
367 1 14 . 1 1 3 3 THR C C 3 174.890 174.890 173.587 1.303 17874
368 1 14 . 1 1 3 3 THR CA C 3 61.750 61.750 62.042 -0.292 17874
369 1 14 . 1 1 3 3 THR CB C 3 70.050 70.050 69.356 0.694 17874
370 1 14 . 1 1 3 3 THR H H 3 8.360 8.360 8.069 0.291 17874
371 1 14 . 1 1 4 4 THR N N 4 115.500 115.500 115.464 0.036 17874
372 1 14 . 1 1 4 4 THR HA H 4 4.640 4.640 4.528 0.112 17874
373 1 14 . 1 1 4 4 THR C C 4 173.670 173.670 174.392 -0.722 17874
374 1 14 . 1 1 4 4 THR CA C 4 59.760 59.760 61.788 -2.028 17874
375 1 14 . 1 1 4 4 THR CB C 4 78.310 78.310 70.012 8.298 17874
376 1 14 . 1 1 4 4 THR H H 4 8.620 8.620 7.806 0.814 17874
377 1 14 . 1 1 5 5 THR N N 5 116.720 116.720 119.728 -3.008 17874
378 1 14 . 1 1 5 5 THR HA H 5 4.550 4.550 4.518 0.032 17874
379 1 14 . 1 1 5 5 THR C C 5 172.390 172.390 172.951 -0.561 17874
380 1 14 . 1 1 5 5 THR CA C 5 59.780 59.780 60.131 -0.351 17874
381 1 14 . 1 1 5 5 THR CB C 5 69.710 69.710 69.273 0.437 17874
382 1 14 . 1 1 5 5 THR H H 5 8.310 8.310 8.194 0.116 17874
383 1 14 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.303 0.067 17874
384 1 14 . 1 1 6 6 PRO C C 6 176.950 176.950 175.716 1.234 17874
385 1 14 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.539 -0.499 17874
386 1 14 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.712 0.408 17874
387 1 14 . 1 1 7 7 LEU N N 7 123.250 123.250 124.641 -1.391 17874
388 1 14 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.513 -0.253 17874
389 1 14 . 1 1 7 7 LEU C C 7 177.570 177.570 175.812 1.758 17874
390 1 14 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.998 0.512 17874
391 1 14 . 1 1 7 7 LEU CB C 7 42.320 42.320 43.767 -1.447 17874
392 1 14 . 1 1 7 7 LEU H H 7 8.410 8.410 7.952 0.458 17874
393 1 15 . 1 1 3 3 THR N N 3 114.890 114.890 114.454 0.436 17874
394 1 15 . 1 1 3 3 THR HA H 3 4.510 4.510 4.511 -0.001 17874
395 1 15 . 1 1 3 3 THR C C 3 174.890 174.890 173.339 1.551 17874
396 1 15 . 1 1 3 3 THR CA C 3 61.750 61.750 62.005 -0.255 17874
397 1 15 . 1 1 3 3 THR CB C 3 70.050 70.050 69.233 0.817 17874
398 1 15 . 1 1 3 3 THR H H 3 8.360 8.360 8.056 0.304 17874
399 1 15 . 1 1 4 4 THR N N 4 115.500 115.500 115.503 -0.003 17874
400 1 15 . 1 1 4 4 THR HA H 4 4.640 4.640 4.543 0.097 17874
401 1 15 . 1 1 4 4 THR C C 4 173.670 173.670 174.603 -0.933 17874
402 1 15 . 1 1 4 4 THR CA C 4 59.760 59.760 61.408 -1.648 17874
403 1 15 . 1 1 4 4 THR CB C 4 78.310 78.310 69.728 8.582 17874
404 1 15 . 1 1 4 4 THR H H 4 8.620 8.620 7.668 0.952 17874
405 1 15 . 1 1 5 5 THR N N 5 116.720 116.720 116.292 0.428 17874
406 1 15 . 1 1 5 5 THR HA H 5 4.550 4.550 4.531 0.019 17874
407 1 15 . 1 1 5 5 THR C C 5 172.390 172.390 173.598 -1.208 17874
408 1 15 . 1 1 5 5 THR CA C 5 59.780 59.780 59.113 0.667 17874
409 1 15 . 1 1 5 5 THR CB C 5 69.710 69.710 70.025 -0.314 17874
410 1 15 . 1 1 5 5 THR H H 5 8.310 8.310 8.213 0.097 17874
411 1 15 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.347 0.023 17874
412 1 15 . 1 1 6 6 PRO C C 6 176.950 176.950 176.398 0.552 17874
413 1 15 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.503 -0.463 17874
414 1 15 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.199 0.921 17874
415 1 15 . 1 1 7 7 LEU N N 7 123.250 123.250 124.051 -0.801 17874
416 1 15 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.410 -0.150 17874
417 1 15 . 1 1 7 7 LEU C C 7 177.570 177.570 177.993 -0.423 17874
418 1 15 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.555 0.955 17874
419 1 15 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.547 -0.227 17874
420 1 15 . 1 1 7 7 LEU H H 7 8.410 8.410 8.043 0.367 17874
421 1 16 . 1 1 3 3 THR N N 3 114.890 114.890 114.374 0.516 17874
422 1 16 . 1 1 3 3 THR HA H 3 4.510 4.510 4.533 -0.023 17874
423 1 16 . 1 1 3 3 THR C C 3 174.890 174.890 173.558 1.332 17874
424 1 16 . 1 1 3 3 THR CA C 3 61.750 61.750 62.223 -0.473 17874
425 1 16 . 1 1 3 3 THR CB C 3 70.050 70.050 69.302 0.748 17874
426 1 16 . 1 1 3 3 THR H H 3 8.360 8.360 8.113 0.247 17874
427 1 16 . 1 1 4 4 THR N N 4 115.500 115.500 115.847 -0.347 17874
428 1 16 . 1 1 4 4 THR HA H 4 4.640 4.640 4.540 0.100 17874
429 1 16 . 1 1 4 4 THR C C 4 173.670 173.670 174.593 -0.923 17874
430 1 16 . 1 1 4 4 THR CA C 4 59.760 59.760 61.395 -1.635 17874
431 1 16 . 1 1 4 4 THR CB C 4 78.310 78.310 69.680 8.630 17874
432 1 16 . 1 1 4 4 THR H H 4 8.620 8.620 7.720 0.900 17874
433 1 16 . 1 1 5 5 THR N N 5 116.720 116.720 116.009 0.711 17874
434 1 16 . 1 1 5 5 THR HA H 5 4.550 4.550 4.533 0.017 17874
435 1 16 . 1 1 5 5 THR C C 5 172.390 172.390 173.503 -1.113 17874
436 1 16 . 1 1 5 5 THR CA C 5 59.780 59.780 59.599 0.181 17874
437 1 16 . 1 1 5 5 THR CB C 5 69.710 69.710 69.854 -0.144 17874
438 1 16 . 1 1 5 5 THR H H 5 8.310 8.310 8.281 0.029 17874
439 1 16 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.420 -0.050 17874
440 1 16 . 1 1 6 6 PRO C C 6 176.950 176.950 176.508 0.442 17874
441 1 16 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.271 -0.231 17874
442 1 16 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.615 0.505 17874
443 1 16 . 1 1 7 7 LEU N N 7 123.250 123.250 122.904 0.346 17874
444 1 16 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.235 0.025 17874
445 1 16 . 1 1 7 7 LEU C C 7 177.570 177.570 176.330 1.240 17874
446 1 16 . 1 1 7 7 LEU CA C 7 55.510 55.510 55.174 0.336 17874
447 1 16 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.997 0.323 17874
448 1 16 . 1 1 7 7 LEU H H 7 8.410 8.410 8.450 -0.040 17874
449 1 17 . 1 1 3 3 THR N N 3 114.890 114.890 111.191 3.699 17874
450 1 17 . 1 1 3 3 THR HA H 3 4.510 4.510 4.678 -0.168 17874
451 1 17 . 1 1 3 3 THR C C 3 174.890 174.890 174.017 0.873 17874
452 1 17 . 1 1 3 3 THR CA C 3 61.750 61.750 61.879 -0.129 17874
453 1 17 . 1 1 3 3 THR CB C 3 70.050 70.050 68.781 1.269 17874
454 1 17 . 1 1 3 3 THR H H 3 8.360 8.360 8.295 0.065 17874
455 1 17 . 1 1 4 4 THR N N 4 115.500 115.500 114.482 1.018 17874
456 1 17 . 1 1 4 4 THR HA H 4 4.640 4.640 4.883 -0.243 17874
457 1 17 . 1 1 4 4 THR C C 4 173.670 173.670 173.809 -0.139 17874
458 1 17 . 1 1 4 4 THR CA C 4 59.760 59.760 61.357 -1.597 17874
459 1 17 . 1 1 4 4 THR CB C 4 78.310 78.310 70.429 7.881 17874
460 1 17 . 1 1 4 4 THR H H 4 8.620 8.620 8.229 0.391 17874
461 1 17 . 1 1 5 5 THR N N 5 116.720 116.720 112.237 4.483 17874
462 1 17 . 1 1 5 5 THR HA H 5 4.550 4.550 4.713 -0.163 17874
463 1 17 . 1 1 5 5 THR C C 5 172.390 172.390 172.143 0.247 17874
464 1 17 . 1 1 5 5 THR CA C 5 59.780 59.780 59.422 0.358 17874
465 1 17 . 1 1 5 5 THR CB C 5 69.710 69.710 69.677 0.033 17874
466 1 17 . 1 1 5 5 THR H H 5 8.310 8.310 8.282 0.028 17874
467 1 17 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.519 -0.149 17874
468 1 17 . 1 1 6 6 PRO C C 6 176.950 176.950 175.336 1.614 17874
469 1 17 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.513 -0.473 17874
470 1 17 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.162 -0.042 17874
471 1 17 . 1 1 7 7 LEU N N 7 123.250 123.250 122.697 0.553 17874
472 1 17 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.632 -0.372 17874
473 1 17 . 1 1 7 7 LEU C C 7 177.570 177.570 176.261 1.309 17874
474 1 17 . 1 1 7 7 LEU CA C 7 55.510 55.510 53.758 1.752 17874
475 1 17 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.514 -2.194 17874
476 1 17 . 1 1 7 7 LEU H H 7 8.410 8.410 8.165 0.245 17874
477 1 18 . 1 1 3 3 THR N N 3 114.890 114.890 116.538 -1.648 17874
478 1 18 . 1 1 3 3 THR HA H 3 4.510 4.510 4.442 0.068 17874
479 1 18 . 1 1 3 3 THR C C 3 174.890 174.890 173.875 1.015 17874
480 1 18 . 1 1 3 3 THR CA C 3 61.750 61.750 61.988 -0.238 17874
481 1 18 . 1 1 3 3 THR CB C 3 70.050 70.050 69.582 0.468 17874
482 1 18 . 1 1 3 3 THR H H 3 8.360 8.360 8.017 0.343 17874
483 1 18 . 1 1 4 4 THR N N 4 115.500 115.500 116.766 -1.266 17874
484 1 18 . 1 1 4 4 THR HA H 4 4.640 4.640 4.549 0.091 17874
485 1 18 . 1 1 4 4 THR C C 4 173.670 173.670 174.862 -1.192 17874
486 1 18 . 1 1 4 4 THR CA C 4 59.760 59.760 61.620 -1.860 17874
487 1 18 . 1 1 4 4 THR CB C 4 78.310 78.310 69.571 8.739 17874
488 1 18 . 1 1 4 4 THR H H 4 8.620 8.620 7.774 0.846 17874
489 1 18 . 1 1 5 5 THR N N 5 116.720 116.720 116.373 0.347 17874
490 1 18 . 1 1 5 5 THR HA H 5 4.550 4.550 4.539 0.011 17874
491 1 18 . 1 1 5 5 THR C C 5 172.390 172.390 173.458 -1.068 17874
492 1 18 . 1 1 5 5 THR CA C 5 59.780 59.780 59.595 0.185 17874
493 1 18 . 1 1 5 5 THR CB C 5 69.710 69.710 69.800 -0.090 17874
494 1 18 . 1 1 5 5 THR H H 5 8.310 8.310 8.210 0.100 17874
495 1 18 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.331 0.039 17874
496 1 18 . 1 1 6 6 PRO C C 6 176.950 176.950 176.039 0.911 17874
497 1 18 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.330 -0.290 17874
498 1 18 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.244 0.875 17874
499 1 18 . 1 1 7 7 LEU N N 7 123.250 123.250 125.354 -2.104 17874
500 1 18 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.362 -0.102 17874
501 1 18 . 1 1 7 7 LEU C C 7 177.570 177.570 177.569 0.001 17874
502 1 18 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.744 0.766 17874
503 1 18 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.094 0.225 17874
504 1 18 . 1 1 7 7 LEU H H 7 8.410 8.410 8.199 0.211 17874
505 1 19 . 1 1 3 3 THR N N 3 114.890 114.890 116.347 -1.457 17874
506 1 19 . 1 1 3 3 THR HA H 3 4.510 4.510 4.481 0.029 17874
507 1 19 . 1 1 3 3 THR C C 3 174.890 174.890 173.922 0.968 17874
508 1 19 . 1 1 3 3 THR CA C 3 61.750 61.750 62.128 -0.378 17874
509 1 19 . 1 1 3 3 THR CB C 3 70.050 70.050 69.507 0.543 17874
510 1 19 . 1 1 3 3 THR H H 3 8.360 8.360 8.066 0.294 17874
511 1 19 . 1 1 4 4 THR N N 4 115.500 115.500 115.566 -0.066 17874
512 1 19 . 1 1 4 4 THR HA H 4 4.640 4.640 4.607 0.033 17874
513 1 19 . 1 1 4 4 THR C C 4 173.670 173.670 174.542 -0.872 17874
514 1 19 . 1 1 4 4 THR CA C 4 59.760 59.760 61.412 -1.652 17874
515 1 19 . 1 1 4 4 THR CB C 4 78.310 78.310 69.677 8.633 17874
516 1 19 . 1 1 4 4 THR H H 4 8.620 8.620 7.706 0.914 17874
517 1 19 . 1 1 5 5 THR N N 5 116.720 116.720 116.101 0.619 17874
518 1 19 . 1 1 5 5 THR HA H 5 4.550 4.550 4.586 -0.036 17874
519 1 19 . 1 1 5 5 THR C C 5 172.390 172.390 173.580 -1.190 17874
520 1 19 . 1 1 5 5 THR CA C 5 59.780 59.780 58.881 0.899 17874
521 1 19 . 1 1 5 5 THR CB C 5 69.710 69.710 69.938 -0.228 17874
522 1 19 . 1 1 5 5 THR H H 5 8.310 8.310 8.259 0.051 17874
523 1 19 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.345 0.025 17874
524 1 19 . 1 1 6 6 PRO C C 6 176.950 176.950 175.974 0.976 17874
525 1 19 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.383 -0.343 17874
526 1 19 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.486 0.634 17874
527 1 19 . 1 1 7 7 LEU N N 7 123.250 123.250 124.854 -1.604 17874
528 1 19 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.393 -0.133 17874
529 1 19 . 1 1 7 7 LEU C C 7 177.570 177.570 176.715 0.855 17874
530 1 19 . 1 1 7 7 LEU CA C 7 55.510 55.510 55.388 0.122 17874
531 1 19 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.449 -0.129 17874
532 1 19 . 1 1 7 7 LEU H H 7 8.410 8.410 8.234 0.176 17874
533 1 20 . 1 1 3 3 THR N N 3 114.890 114.890 111.965 2.925 17874
534 1 20 . 1 1 3 3 THR HA H 3 4.510 4.510 4.467 0.043 17874
535 1 20 . 1 1 3 3 THR C C 3 174.890 174.890 174.507 0.383 17874
536 1 20 . 1 1 3 3 THR CA C 3 61.750 61.750 62.073 -0.323 17874
537 1 20 . 1 1 3 3 THR CB C 3 70.050 70.050 69.136 0.914 17874
538 1 20 . 1 1 3 3 THR H H 3 8.360 8.360 8.322 0.038 17874
539 1 20 . 1 1 4 4 THR N N 4 115.500 115.500 115.402 0.098 17874
540 1 20 . 1 1 4 4 THR HA H 4 4.640 4.640 4.839 -0.199 17874
541 1 20 . 1 1 4 4 THR C C 4 173.670 173.670 173.880 -0.210 17874
542 1 20 . 1 1 4 4 THR CA C 4 59.760 59.760 61.748 -1.988 17874
543 1 20 . 1 1 4 4 THR CB C 4 78.310 78.310 71.317 6.992 17874
544 1 20 . 1 1 4 4 THR H H 4 8.620 8.620 8.193 0.427 17874
545 1 20 . 1 1 5 5 THR N N 5 116.720 116.720 112.851 3.869 17874
546 1 20 . 1 1 5 5 THR HA H 5 4.550 4.550 4.667 -0.117 17874
547 1 20 . 1 1 5 5 THR C C 5 172.390 172.390 172.092 0.298 17874
548 1 20 . 1 1 5 5 THR CA C 5 59.780 59.780 59.765 0.015 17874
549 1 20 . 1 1 5 5 THR CB C 5 69.710 69.710 69.949 -0.239 17874
550 1 20 . 1 1 5 5 THR H H 5 8.310 8.310 8.171 0.139 17874
551 1 20 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.443 -0.073 17874
552 1 20 . 1 1 6 6 PRO C C 6 176.950 176.950 176.164 0.786 17874
553 1 20 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.674 -0.634 17874
554 1 20 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.944 0.176 17874
555 1 20 . 1 1 7 7 LEU N N 7 123.250 123.250 123.800 -0.550 17874
556 1 20 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.379 -0.119 17874
557 1 20 . 1 1 7 7 LEU C C 7 177.570 177.570 177.811 -0.241 17874
558 1 20 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.446 1.064 17874
559 1 20 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.648 -0.328 17874
560 1 20 . 1 1 7 7 LEU H H 7 8.410 8.410 7.995 0.415 17874
561 1 21 . 1 1 3 3 THR N N 3 114.890 114.890 116.189 -1.299 17874
562 1 21 . 1 1 3 3 THR HA H 3 4.510 4.510 4.513 -0.003 17874
563 1 21 . 1 1 3 3 THR C C 3 174.890 174.890 174.941 -0.051 17874
564 1 21 . 1 1 3 3 THR CA C 3 61.750 61.750 62.824 -1.074 17874
565 1 21 . 1 1 3 3 THR CB C 3 70.050 70.050 69.538 0.512 17874
566 1 21 . 1 1 3 3 THR H H 3 8.360 8.360 8.189 0.171 17874
567 1 21 . 1 1 4 4 THR N N 4 115.500 115.500 114.010 1.490 17874
568 1 21 . 1 1 4 4 THR HA H 4 4.640 4.640 4.499 0.141 17874
569 1 21 . 1 1 4 4 THR C C 4 173.670 173.670 174.091 -0.421 17874
570 1 21 . 1 1 4 4 THR CA C 4 59.760 59.760 62.213 -2.453 17874
571 1 21 . 1 1 4 4 THR CB C 4 78.310 78.310 69.131 9.179 17874
572 1 21 . 1 1 4 4 THR H H 4 8.620 8.620 7.930 0.690 17874
573 1 21 . 1 1 5 5 THR N N 5 116.720 116.720 117.117 -0.397 17874
574 1 21 . 1 1 5 5 THR HA H 5 4.550 4.550 4.474 0.076 17874
575 1 21 . 1 1 5 5 THR C C 5 172.390 172.390 171.949 0.441 17874
576 1 21 . 1 1 5 5 THR CA C 5 59.780 59.780 60.105 -0.325 17874
577 1 21 . 1 1 5 5 THR CB C 5 69.710 69.710 69.383 0.327 17874
578 1 21 . 1 1 5 5 THR H H 5 8.310 8.310 7.453 0.857 17874
579 1 21 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.355 0.015 17874
580 1 21 . 1 1 6 6 PRO C C 6 176.950 176.950 177.213 -0.263 17874
581 1 21 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.209 -0.169 17874
582 1 21 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.276 -0.156 17874
583 1 21 . 1 1 7 7 LEU N N 7 123.250 123.250 122.037 1.213 17874
584 1 21 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.282 -0.022 17874
585 1 21 . 1 1 7 7 LEU C C 7 177.570 177.570 177.621 -0.051 17874
586 1 21 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.953 0.557 17874
587 1 21 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.385 0.935 17874
588 1 21 . 1 1 7 7 LEU H H 7 8.410 8.410 8.280 0.130 17874
589 1 22 . 1 1 3 3 THR N N 3 114.890 114.890 114.555 0.335 17874
590 1 22 . 1 1 3 3 THR HA H 3 4.510 4.510 4.479 0.031 17874
591 1 22 . 1 1 3 3 THR C C 3 174.890 174.890 173.772 1.118 17874
592 1 22 . 1 1 3 3 THR CA C 3 61.750 61.750 61.748 0.002 17874
593 1 22 . 1 1 3 3 THR CB C 3 70.050 70.050 69.380 0.670 17874
594 1 22 . 1 1 3 3 THR H H 3 8.360 8.360 7.699 0.661 17874
595 1 22 . 1 1 4 4 THR N N 4 115.500 115.500 114.397 1.103 17874
596 1 22 . 1 1 4 4 THR HA H 4 4.640 4.640 4.582 0.058 17874
597 1 22 . 1 1 4 4 THR C C 4 173.670 173.670 174.480 -0.810 17874
598 1 22 . 1 1 4 4 THR CA C 4 59.760 59.760 61.484 -1.724 17874
599 1 22 . 1 1 4 4 THR CB C 4 78.310 78.310 70.163 8.146 17874
600 1 22 . 1 1 4 4 THR H H 4 8.620 8.620 7.776 0.844 17874
601 1 22 . 1 1 5 5 THR N N 5 116.720 116.720 117.055 -0.335 17874
602 1 22 . 1 1 5 5 THR HA H 5 4.550 4.550 4.502 0.048 17874
603 1 22 . 1 1 5 5 THR C C 5 172.390 172.390 172.343 0.047 17874
604 1 22 . 1 1 5 5 THR CA C 5 59.780 59.780 60.558 -0.778 17874
605 1 22 . 1 1 5 5 THR CB C 5 69.710 69.710 69.338 0.372 17874
606 1 22 . 1 1 5 5 THR H H 5 8.310 8.310 8.362 -0.052 17874
607 1 22 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.323 0.047 17874
608 1 22 . 1 1 6 6 PRO C C 6 176.950 176.950 176.309 0.641 17874
609 1 22 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.058 -0.018 17874
610 1 22 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.858 0.262 17874
611 1 22 . 1 1 7 7 LEU N N 7 123.250 123.250 124.689 -1.439 17874
612 1 22 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.455 -0.196 17874
613 1 22 . 1 1 7 7 LEU C C 7 177.570 177.570 176.044 1.526 17874
614 1 22 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.852 0.658 17874
615 1 22 . 1 1 7 7 LEU CB C 7 42.320 42.320 41.901 0.419 17874
616 1 22 . 1 1 7 7 LEU H H 7 8.410 8.410 8.134 0.276 17874
617 1 23 . 1 1 3 3 THR N N 3 114.890 114.890 113.950 0.940 17874
618 1 23 . 1 1 3 3 THR HA H 3 4.510 4.510 4.446 0.064 17874
619 1 23 . 1 1 3 3 THR C C 3 174.890 174.890 173.819 1.071 17874
620 1 23 . 1 1 3 3 THR CA C 3 61.750 61.750 61.740 0.010 17874
621 1 23 . 1 1 3 3 THR CB C 3 70.050 70.050 69.394 0.656 17874
622 1 23 . 1 1 3 3 THR H H 3 8.360 8.360 7.919 0.441 17874
623 1 23 . 1 1 4 4 THR N N 4 115.500 115.500 115.165 0.335 17874
624 1 23 . 1 1 4 4 THR HA H 4 4.640 4.640 4.553 0.087 17874
625 1 23 . 1 1 4 4 THR C C 4 173.670 173.670 174.490 -0.820 17874
626 1 23 . 1 1 4 4 THR CA C 4 59.760 59.760 61.586 -1.826 17874
627 1 23 . 1 1 4 4 THR CB C 4 78.310 78.310 70.054 8.256 17874
628 1 23 . 1 1 4 4 THR H H 4 8.620 8.620 7.729 0.891 17874
629 1 23 . 1 1 5 5 THR N N 5 116.720 116.720 118.803 -2.083 17874
630 1 23 . 1 1 5 5 THR HA H 5 4.550 4.550 4.582 -0.032 17874
631 1 23 . 1 1 5 5 THR C C 5 172.390 172.390 173.118 -0.728 17874
632 1 23 . 1 1 5 5 THR CA C 5 59.780 59.780 60.540 -0.760 17874
633 1 23 . 1 1 5 5 THR CB C 5 69.710 69.710 68.935 0.775 17874
634 1 23 . 1 1 5 5 THR H H 5 8.310 8.310 8.338 -0.028 17874
635 1 23 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.382 -0.012 17874
636 1 23 . 1 1 6 6 PRO C C 6 176.950 176.950 175.568 1.382 17874
637 1 23 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.259 -0.219 17874
638 1 23 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.095 0.025 17874
639 1 23 . 1 1 7 7 LEU N N 7 123.250 123.250 123.788 -0.538 17874
640 1 23 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.586 -0.326 17874
641 1 23 . 1 1 7 7 LEU C C 7 177.570 177.570 175.947 1.623 17874
642 1 23 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.930 0.580 17874
643 1 23 . 1 1 7 7 LEU CB C 7 42.320 42.320 43.817 -1.497 17874
644 1 23 . 1 1 7 7 LEU H H 7 8.410 8.410 8.486 -0.076 17874
645 1 24 . 1 1 3 3 THR N N 3 114.890 114.890 115.096 -0.206 17874
646 1 24 . 1 1 3 3 THR HA H 3 4.510 4.510 4.524 -0.014 17874
647 1 24 . 1 1 3 3 THR C C 3 174.890 174.890 173.723 1.167 17874
648 1 24 . 1 1 3 3 THR CA C 3 61.750 61.750 62.010 -0.260 17874
649 1 24 . 1 1 3 3 THR CB C 3 70.050 70.050 69.566 0.484 17874
650 1 24 . 1 1 3 3 THR H H 3 8.360 8.360 7.750 0.610 17874
651 1 24 . 1 1 4 4 THR N N 4 115.500 115.500 114.596 0.904 17874
652 1 24 . 1 1 4 4 THR HA H 4 4.640 4.640 4.614 0.026 17874
653 1 24 . 1 1 4 4 THR C C 4 173.670 173.670 174.316 -0.646 17874
654 1 24 . 1 1 4 4 THR CA C 4 59.760 59.760 61.612 -1.852 17874
655 1 24 . 1 1 4 4 THR CB C 4 78.310 78.310 69.923 8.387 17874
656 1 24 . 1 1 4 4 THR H H 4 8.620 8.620 7.720 0.900 17874
657 1 24 . 1 1 5 5 THR N N 5 116.720 116.720 116.604 0.116 17874
658 1 24 . 1 1 5 5 THR HA H 5 4.550 4.550 4.508 0.042 17874
659 1 24 . 1 1 5 5 THR C C 5 172.390 172.390 172.194 0.196 17874
660 1 24 . 1 1 5 5 THR CA C 5 59.780 59.780 60.406 -0.626 17874
661 1 24 . 1 1 5 5 THR CB C 5 69.710 69.710 69.202 0.508 17874
662 1 24 . 1 1 5 5 THR H H 5 8.310 8.310 8.280 0.030 17874
663 1 24 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.376 -0.006 17874
664 1 24 . 1 1 6 6 PRO C C 6 176.950 176.950 175.587 1.363 17874
665 1 24 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.734 -0.694 17874
666 1 24 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.677 0.443 17874
667 1 24 . 1 1 7 7 LEU N N 7 123.250 123.250 120.779 2.471 17874
668 1 24 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.874 -0.614 17874
669 1 24 . 1 1 7 7 LEU C C 7 177.570 177.570 175.349 2.221 17874
670 1 24 . 1 1 7 7 LEU CA C 7 55.510 55.510 53.930 1.580 17874
671 1 24 . 1 1 7 7 LEU CB C 7 42.320 42.320 44.493 -2.173 17874
672 1 24 . 1 1 7 7 LEU H H 7 8.410 8.410 7.906 0.504 17874
673 1 25 . 1 1 3 3 THR N N 3 114.890 114.890 112.801 2.089 17874
674 1 25 . 1 1 3 3 THR HA H 3 4.510 4.510 4.522 -0.012 17874
675 1 25 . 1 1 3 3 THR C C 3 174.890 174.890 174.147 0.743 17874
676 1 25 . 1 1 3 3 THR CA C 3 61.750 61.750 61.380 0.370 17874
677 1 25 . 1 1 3 3 THR CB C 3 70.050 70.050 69.237 0.813 17874
678 1 25 . 1 1 3 3 THR H H 3 8.360 8.360 7.680 0.680 17874
679 1 25 . 1 1 4 4 THR N N 4 115.500 115.500 113.911 1.589 17874
680 1 25 . 1 1 4 4 THR HA H 4 4.640 4.640 4.620 0.020 17874
681 1 25 . 1 1 4 4 THR C C 4 173.670 173.670 174.084 -0.414 17874
682 1 25 . 1 1 4 4 THR CA C 4 59.760 59.760 61.469 -1.709 17874
683 1 25 . 1 1 4 4 THR CB C 4 78.310 78.310 70.215 8.095 17874
684 1 25 . 1 1 4 4 THR H H 4 8.620 8.620 7.720 0.900 17874
685 1 25 . 1 1 5 5 THR N N 5 116.720 116.720 114.178 2.542 17874
686 1 25 . 1 1 5 5 THR HA H 5 4.550 4.550 4.617 -0.067 17874
687 1 25 . 1 1 5 5 THR C C 5 172.390 172.390 172.174 0.216 17874
688 1 25 . 1 1 5 5 THR CA C 5 59.780 59.780 60.050 -0.270 17874
689 1 25 . 1 1 5 5 THR CB C 5 69.710 69.710 69.492 0.218 17874
690 1 25 . 1 1 5 5 THR H H 5 8.310 8.310 8.471 -0.161 17874
691 1 25 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.423 -0.053 17874
692 1 25 . 1 1 6 6 PRO C C 6 176.950 176.950 175.386 1.564 17874
693 1 25 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.296 -0.256 17874
694 1 25 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.491 -0.371 17874
695 1 25 . 1 1 7 7 LEU N N 7 123.250 123.250 119.468 3.782 17874
696 1 25 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.403 -0.143 17874
697 1 25 . 1 1 7 7 LEU C C 7 177.570 177.570 177.005 0.565 17874
698 1 25 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.768 0.742 17874
699 1 25 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.758 -0.438 17874
700 1 25 . 1 1 7 7 LEU H H 7 8.410 8.410 8.356 0.054 17874
701 1 26 . 1 1 3 3 THR N N 3 114.890 114.890 116.061 -1.171 17874
702 1 26 . 1 1 3 3 THR HA H 3 4.510 4.510 4.453 0.057 17874
703 1 26 . 1 1 3 3 THR C C 3 174.890 174.890 173.821 1.069 17874
704 1 26 . 1 1 3 3 THR CA C 3 61.750 61.750 62.028 -0.278 17874
705 1 26 . 1 1 3 3 THR CB C 3 70.050 70.050 69.580 0.470 17874
706 1 26 . 1 1 3 3 THR H H 3 8.360 8.360 8.123 0.237 17874
707 1 26 . 1 1 4 4 THR N N 4 115.500 115.500 116.825 -1.325 17874
708 1 26 . 1 1 4 4 THR HA H 4 4.640 4.640 4.552 0.088 17874
709 1 26 . 1 1 4 4 THR C C 4 173.670 173.670 174.867 -1.197 17874
710 1 26 . 1 1 4 4 THR CA C 4 59.760 59.760 61.607 -1.847 17874
711 1 26 . 1 1 4 4 THR CB C 4 78.310 78.310 69.566 8.744 17874
712 1 26 . 1 1 4 4 THR H H 4 8.620 8.620 7.772 0.848 17874
713 1 26 . 1 1 5 5 THR N N 5 116.720 116.720 116.311 0.409 17874
714 1 26 . 1 1 5 5 THR HA H 5 4.550 4.550 4.544 0.006 17874
715 1 26 . 1 1 5 5 THR C C 5 172.390 172.390 173.515 -1.125 17874
716 1 26 . 1 1 5 5 THR CA C 5 59.780 59.780 59.547 0.233 17874
717 1 26 . 1 1 5 5 THR CB C 5 69.710 69.710 69.796 -0.086 17874
718 1 26 . 1 1 5 5 THR H H 5 8.310 8.310 8.205 0.105 17874
719 1 26 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.326 0.044 17874
720 1 26 . 1 1 6 6 PRO C C 6 176.950 176.950 176.283 0.667 17874
721 1 26 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.255 -0.215 17874
722 1 26 . 1 1 6 6 PRO CB C 6 32.120 32.120 30.992 1.128 17874
723 1 26 . 1 1 7 7 LEU N N 7 123.250 123.250 124.615 -1.365 17874
724 1 26 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.342 -0.082 17874
725 1 26 . 1 1 7 7 LEU C C 7 177.570 177.570 177.065 0.505 17874
726 1 26 . 1 1 7 7 LEU CA C 7 55.510 55.510 55.321 0.189 17874
727 1 26 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.740 -0.420 17874
728 1 26 . 1 1 7 7 LEU H H 7 8.410 8.410 8.029 0.381 17874
729 1 27 . 1 1 3 3 THR N N 3 114.890 114.890 113.615 1.275 17874
730 1 27 . 1 1 3 3 THR HA H 3 4.510 4.510 4.468 0.042 17874
731 1 27 . 1 1 3 3 THR C C 3 174.890 174.890 174.033 0.857 17874
732 1 27 . 1 1 3 3 THR CA C 3 61.750 61.750 61.893 -0.143 17874
733 1 27 . 1 1 3 3 THR CB C 3 70.050 70.050 69.336 0.714 17874
734 1 27 . 1 1 3 3 THR H H 3 8.360 8.360 7.825 0.535 17874
735 1 27 . 1 1 4 4 THR N N 4 115.500 115.500 115.354 0.146 17874
736 1 27 . 1 1 4 4 THR HA H 4 4.640 4.640 4.563 0.077 17874
737 1 27 . 1 1 4 4 THR C C 4 173.670 173.670 174.801 -1.131 17874
738 1 27 . 1 1 4 4 THR CA C 4 59.760 59.760 61.533 -1.773 17874
739 1 27 . 1 1 4 4 THR CB C 4 78.310 78.310 69.680 8.630 17874
740 1 27 . 1 1 4 4 THR H H 4 8.620 8.620 7.724 0.896 17874
741 1 27 . 1 1 5 5 THR N N 5 116.720 116.720 119.139 -2.419 17874
742 1 27 . 1 1 5 5 THR HA H 5 4.550 4.550 4.609 -0.059 17874
743 1 27 . 1 1 5 5 THR C C 5 172.390 172.390 173.738 -1.348 17874
744 1 27 . 1 1 5 5 THR CA C 5 59.780 59.780 60.200 -0.420 17874
745 1 27 . 1 1 5 5 THR CB C 5 69.710 69.710 69.529 0.181 17874
746 1 27 . 1 1 5 5 THR H H 5 8.310 8.310 8.220 0.090 17874
747 1 27 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.406 -0.036 17874
748 1 27 . 1 1 6 6 PRO C C 6 176.950 176.950 175.163 1.787 17874
749 1 27 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.123 -0.083 17874
750 1 27 . 1 1 6 6 PRO CB C 6 32.120 32.120 32.103 0.017 17874
751 1 27 . 1 1 7 7 LEU N N 7 123.250 123.250 119.243 4.007 17874
752 1 27 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.656 -0.396 17874
753 1 27 . 1 1 7 7 LEU C C 7 177.570 177.570 175.608 1.962 17874
754 1 27 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.444 1.066 17874
755 1 27 . 1 1 7 7 LEU CB C 7 42.320 42.320 43.816 -1.496 17874
756 1 27 . 1 1 7 7 LEU H H 7 8.410 8.410 8.325 0.085 17874
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 4 2.780 -0.862 3.051 17874
2 1 1 "Average Difference" HA 5 0.112 0.064 0.103 17874
3 1 1 "Average Difference" C 5 0.535 -0.400 0.397 17874
4 1 1 "Average Difference" CA 5 0.792 0.265 0.835 17874
5 1 1 "Average Difference" CB 5 3.596 -2.008 3.335 17874
6 1 1 "Average Difference" HN 4 0.286 -0.235 0.188 17874
7 1 2 "Average Difference" N 4 0.943 -0.777 0.616 17874
8 1 2 "Average Difference" HA 5 0.274 0.083 0.292 17874
9 1 2 "Average Difference" C 5 1.536 -0.461 1.638 17874
10 1 2 "Average Difference" CA 5 1.199 0.050 1.339 17874
11 1 2 "Average Difference" CB 5 4.067 -1.768 4.095 17874
12 1 2 "Average Difference" HN 4 0.543 -0.488 0.275 17874
13 1 3 "Average Difference" N 4 2.204 0.251 2.529 17874
14 1 3 "Average Difference" HA 5 0.146 -0.010 0.162 17874
15 1 3 "Average Difference" C 5 1.294 -0.603 1.280 17874
16 1 3 "Average Difference" CA 5 1.134 0.278 1.230 17874
17 1 3 "Average Difference" CB 5 4.277 -1.787 4.345 17874
18 1 3 "Average Difference" HN 4 0.712 -0.699 0.161 17874
19 1 4 "Average Difference" N 4 2.913 -1.622 2.793 17874
20 1 4 "Average Difference" HA 5 0.232 0.123 0.221 17874
21 1 4 "Average Difference" C 5 1.634 -0.882 1.538 17874
22 1 4 "Average Difference" CA 5 1.265 0.412 1.337 17874
23 1 4 "Average Difference" CB 5 3.661 -1.780 3.577 17874
24 1 4 "Average Difference" HN 4 0.528 -0.452 0.315 17874
25 1 5 "Average Difference" N 4 2.132 -1.007 2.170 17874
26 1 5 "Average Difference" HA 5 0.233 0.112 0.228 17874
27 1 5 "Average Difference" C 5 0.843 -0.544 0.721 17874
28 1 5 "Average Difference" CA 5 0.958 0.337 1.002 17874
29 1 5 "Average Difference" CB 5 3.846 -1.862 3.763 17874
30 1 5 "Average Difference" HN 4 0.587 -0.506 0.343 17874
31 1 6 "Average Difference" N 4 1.844 1.184 1.632 17874
32 1 6 "Average Difference" HA 5 0.090 -0.016 0.099 17874
33 1 6 "Average Difference" C 5 1.334 -0.288 1.456 17874
34 1 6 "Average Difference" CA 5 0.960 0.137 1.062 17874
35 1 6 "Average Difference" CB 5 3.966 -2.223 3.672 17874
36 1 6 "Average Difference" HN 4 0.513 -0.438 0.310 17874
37 1 7 "Average Difference" N 4 1.750 0.512 1.932 17874
38 1 7 "Average Difference" HA 5 0.146 0.011 0.162 17874
39 1 7 "Average Difference" C 5 1.211 -0.585 1.185 17874
40 1 7 "Average Difference" CA 5 1.201 0.661 1.121 17874
41 1 7 "Average Difference" CB 5 4.105 -1.641 4.207 17874
42 1 7 "Average Difference" HN 4 0.586 -0.536 0.274 17874
43 1 8 "Average Difference" N 4 1.247 -0.592 1.266 17874
44 1 8 "Average Difference" HA 5 0.180 0.106 0.163 17874
45 1 8 "Average Difference" C 5 1.242 -0.677 1.164 17874
46 1 8 "Average Difference" CA 5 1.376 0.516 1.426 17874
47 1 8 "Average Difference" CB 5 3.798 -1.275 4.000 17874
48 1 8 "Average Difference" HN 4 0.400 -0.208 0.394 17874
49 1 9 "Average Difference" N 4 3.265 -2.163 2.824 17874
50 1 9 "Average Difference" HA 5 0.076 0.019 0.082 17874
51 1 9 "Average Difference" C 5 0.448 -0.330 0.339 17874
52 1 9 "Average Difference" CA 5 1.094 0.153 1.211 17874
53 1 9 "Average Difference" CB 5 3.136 -1.815 2.860 17874
54 1 9 "Average Difference" HN 4 0.343 -0.297 0.197 17874
55 1 10 "Average Difference" N 4 0.543 0.112 0.614 17874
56 1 10 "Average Difference" HA 5 0.112 0.030 0.121 17874
57 1 10 "Average Difference" C 5 1.513 -0.478 1.605 17874
58 1 10 "Average Difference" CA 5 1.049 0.415 1.077 17874
59 1 10 "Average Difference" CB 5 3.896 -1.787 3.871 17874
60 1 10 "Average Difference" HN 4 0.606 -0.554 0.283 17874
61 1 11 "Average Difference" N 4 1.860 -1.233 1.608 17874
62 1 11 "Average Difference" HA 5 0.217 0.143 0.183 17874
63 1 11 "Average Difference" C 5 0.731 -0.499 0.598 17874
64 1 11 "Average Difference" CA 5 1.187 0.266 1.293 17874
65 1 11 "Average Difference" CB 5 3.605 -1.196 3.802 17874
66 1 11 "Average Difference" HN 4 0.438 -0.379 0.255 17874
67 1 12 "Average Difference" N 4 2.694 -0.740 2.991 17874
68 1 12 "Average Difference" HA 5 0.098 0.037 0.101 17874
69 1 12 "Average Difference" C 5 0.887 -0.585 0.745 17874
70 1 12 "Average Difference" CA 5 0.901 0.178 0.987 17874
71 1 12 "Average Difference" CB 5 3.375 -1.881 3.133 17874
72 1 12 "Average Difference" HN 4 0.319 -0.310 0.088 17874
73 1 13 "Average Difference" N 4 1.958 -0.577 2.161 17874
74 1 13 "Average Difference" HA 5 0.148 0.054 0.154 17874
75 1 13 "Average Difference" C 5 0.533 -0.465 0.292 17874
76 1 13 "Average Difference" CA 5 0.734 0.116 0.811 17874
77 1 13 "Average Difference" CB 5 3.689 -2.122 3.373 17874
78 1 13 "Average Difference" HN 4 0.389 -0.316 0.261 17874
79 1 14 "Average Difference" N 4 1.692 0.920 1.640 17874
80 1 14 "Average Difference" HA 5 0.129 0.003 0.144 17874
81 1 14 "Average Difference" C 5 1.196 -0.602 1.155 17874
82 1 14 "Average Difference" CA 5 0.983 0.532 0.925 17874
83 1 14 "Average Difference" CB 5 3.789 -1.678 3.798 17874
84 1 14 "Average Difference" HN 4 0.492 -0.420 0.298 17874
85 1 15 "Average Difference" N 4 0.504 -0.015 0.581 17874
86 1 15 "Average Difference" HA 5 0.081 0.002 0.090 17874
87 1 15 "Average Difference" C 5 1.022 0.092 1.138 17874
88 1 15 "Average Difference" CA 5 0.933 0.149 1.030 17874
89 1 15 "Average Difference" CB 5 3.881 -1.956 3.748 17874
90 1 15 "Average Difference" HN 4 0.535 -0.430 0.367 17874
91 1 16 "Average Difference" N 4 0.503 -0.306 0.460 17874
92 1 16 "Average Difference" HA 5 0.053 -0.014 0.057 17874
93 1 16 "Average Difference" C 5 1.058 -0.196 1.163 17874
94 1 16 "Average Difference" CA 5 0.787 0.364 0.779 17874
95 1 16 "Average Difference" CB 5 3.884 -2.012 3.714 17874
96 1 16 "Average Difference" HN 4 0.468 -0.284 0.429 17874
97 1 17 "Average Difference" N 4 2.963 -2.438 1.944 17874
98 1 17 "Average Difference" HA 5 0.234 0.219 0.093 17874
99 1 17 "Average Difference" C 5 1.016 -0.781 0.727 17874
100 1 17 "Average Difference" CA 5 1.095 0.018 1.224 17874
101 1 17 "Average Difference" CB 5 3.702 -1.389 3.837 17874
102 1 17 "Average Difference" HN 4 0.234 -0.182 0.168 17874
103 1 18 "Average Difference" N 4 1.489 1.168 1.066 17874
104 1 18 "Average Difference" HA 5 0.071 -0.021 0.075 17874
105 1 18 "Average Difference" C 5 0.940 0.067 1.049 17874
106 1 18 "Average Difference" CA 5 0.919 0.287 0.976 17874
107 1 18 "Average Difference" CB 5 3.935 -2.044 3.759 17874
108 1 18 "Average Difference" HN 4 0.471 -0.375 0.329 17874
109 1 19 "Average Difference" N 4 1.127 0.627 1.082 17874
110 1 19 "Average Difference" HA 5 0.066 0.016 0.071 17874
111 1 19 "Average Difference" C 5 0.980 -0.147 1.083 17874
112 1 19 "Average Difference" CA 5 0.873 0.270 0.929 17874
113 1 19 "Average Difference" CB 5 3.881 -1.891 3.789 17874
114 1 19 "Average Difference" HN 4 0.489 -0.359 0.383 17874
115 1 20 "Average Difference" N 4 2.441 -1.586 2.143 17874
116 1 20 "Average Difference" HA 5 0.122 0.093 0.089 17874
117 1 20 "Average Difference" C 5 0.437 -0.203 0.433 17874
118 1 20 "Average Difference" CA 5 1.057 0.373 1.106 17874
119 1 20 "Average Difference" CB 5 3.160 -1.503 3.108 17874
120 1 20 "Average Difference" HN 4 0.306 -0.255 0.196 17874
121 1 21 "Average Difference" N 4 1.176 -0.252 1.327 17874
122 1 21 "Average Difference" HA 5 0.073 -0.041 0.067 17874
123 1 21 "Average Difference" C 5 0.299 0.069 0.325 17874
124 1 21 "Average Difference" CA 5 1.234 0.693 1.142 17874
125 1 21 "Average Difference" CB 5 4.136 -2.159 3.943 17874
126 1 21 "Average Difference" HN 4 0.561 -0.462 0.367 17874
127 1 22 "Average Difference" N 4 0.937 0.084 1.078 17874
128 1 22 "Average Difference" HA 5 0.097 0.002 0.108 17874
129 1 22 "Average Difference" C 5 0.964 -0.504 0.919 17874
130 1 22 "Average Difference" CA 5 0.896 0.372 0.911 17874
131 1 22 "Average Difference" CB 5 3.666 -1.974 3.454 17874
132 1 22 "Average Difference" HN 4 0.554 -0.433 0.400 17874
133 1 23 "Average Difference" N 4 1.186 0.337 1.313 17874
134 1 23 "Average Difference" HA 5 0.154 0.044 0.165 17874
135 1 23 "Average Difference" C 5 1.174 -0.506 1.185 17874
136 1 23 "Average Difference" CA 5 0.927 0.443 0.910 17874
137 1 23 "Average Difference" CB 5 3.780 -1.643 3.806 17874
138 1 23 "Average Difference" HN 4 0.499 -0.307 0.454 17874
139 1 24 "Average Difference" N 4 1.321 -0.821 1.195 17874
140 1 24 "Average Difference" HA 5 0.276 0.113 0.281 17874
141 1 24 "Average Difference" C 5 1.312 -0.860 1.108 17874
142 1 24 "Average Difference" CA 5 1.172 0.370 1.243 17874
143 1 24 "Average Difference" CB 5 3.892 -1.530 4.002 17874
144 1 24 "Average Difference" HN 4 0.600 -0.511 0.362 17874
145 1 25 "Average Difference" N 4 2.629 -2.500 0.939 17874
146 1 25 "Average Difference" HA 5 0.075 0.051 0.062 17874
147 1 25 "Average Difference" C 5 0.841 -0.535 0.725 17874
148 1 25 "Average Difference" CA 5 0.866 0.225 0.935 17874
149 1 25 "Average Difference" CB 5 3.649 -1.664 3.631 17874
150 1 25 "Average Difference" HN 4 0.570 -0.368 0.503 17874
151 1 26 "Average Difference" N 4 1.135 0.863 0.852 17874
152 1 26 "Average Difference" HA 5 0.063 -0.023 0.065 17874
153 1 26 "Average Difference" C 5 0.953 0.016 1.065 17874
154 1 26 "Average Difference" CA 5 0.851 0.384 0.850 17874
155 1 26 "Average Difference" CB 5 3.953 -1.967 3.833 17874
156 1 26 "Average Difference" HN 4 0.483 -0.393 0.324 17874
157 1 27 "Average Difference" N 4 2.427 -0.752 2.664 17874
158 1 27 "Average Difference" HA 5 0.184 0.074 0.188 17874
159 1 27 "Average Difference" C 5 1.475 -0.425 1.579 17874
160 1 27 "Average Difference" CA 5 0.947 0.271 1.014 17874
161 1 27 "Average Difference" CB 5 3.931 -1.609 4.010 17874
162 1 27 "Average Difference" HN 4 0.526 -0.402 0.391 17874
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 17874
_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 3 3 THR N N 3 114.890 114.890 114.447 0.443 17874
2 1 . 1 1 3 3 THR HA H 3 4.510 4.510 4.490 0.020 17874
3 1 . 1 1 3 3 THR C C 3 174.890 174.890 174.060 0.830 17874
4 1 . 1 1 3 3 THR CA C 3 61.750 61.750 61.962 -0.212 17874
5 1 . 1 1 3 3 THR CB C 3 70.050 70.050 69.412 0.638 17874
6 1 . 1 1 3 3 THR H H 3 8.360 8.360 8.046 0.314 17874
7 1 . 1 1 4 4 THR N N 4 115.500 115.500 115.128 0.372 17874
8 1 . 1 1 4 4 THR HA H 4 4.640 4.640 4.634 0.006 17874
9 1 . 1 1 4 4 THR C C 4 173.670 173.670 174.348 -0.678 17874
10 1 . 1 1 4 4 THR CA C 4 59.760 59.760 61.653 -1.893 17874
11 1 . 1 1 4 4 THR CB C 4 78.310 78.310 70.024 8.286 17874
12 1 . 1 1 4 4 THR H H 4 8.620 8.620 7.853 0.767 17874
13 1 . 1 1 5 5 THR N N 5 116.720 116.720 115.928 0.792 17874
14 1 . 1 1 5 5 THR HA H 5 4.550 4.550 4.554 -0.004 17874
15 1 . 1 1 5 5 THR C C 5 172.390 172.390 172.766 -0.376 17874
16 1 . 1 1 5 5 THR CA C 5 59.780 59.780 59.807 -0.027 17874
17 1 . 1 1 5 5 THR CB C 5 69.710 69.710 69.585 0.125 17874
18 1 . 1 1 5 5 THR H H 5 8.310 8.310 8.109 0.201 17874
19 1 . 1 1 6 6 PRO HA H 6 4.370 4.370 4.395 -0.025 17874
20 1 . 1 1 6 6 PRO C C 6 176.950 176.950 175.930 1.020 17874
21 1 . 1 1 6 6 PRO CA C 6 63.040 63.040 63.362 -0.322 17874
22 1 . 1 1 6 6 PRO CB C 6 32.120 32.120 31.641 0.479 17874
23 1 . 1 1 7 7 LEU N N 7 123.250 123.250 123.051 0.199 17874
24 1 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.493 -0.233 17874
25 1 . 1 1 7 7 LEU C C 7 177.570 177.570 176.270 1.300 17874
26 1 . 1 1 7 7 LEU CA C 7 55.510 55.510 54.637 0.873 17874
27 1 . 1 1 7 7 LEU CB C 7 42.320 42.320 42.929 -0.609 17874
28 1 . 1 1 7 7 LEU H H 7 8.410 8.410 8.122 0.288 17874
stop_
save_