data_17868
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17868
_Entry.PDB_ID 2LHV
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 17868
_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 3 113.800 113.800 119.439 -5.639 17868
2 1 1 . 1 1 3 3 THR HA H 3 4.440 4.440 4.181 0.259 17868
3 1 1 . 1 1 3 3 THR CA C 3 61.570 61.570 63.589 -2.019 17868
4 1 1 . 1 1 3 3 THR CB C 3 69.820 69.820 68.896 0.924 17868
5 1 1 . 1 1 3 3 THR H H 3 8.310 8.310 8.187 0.123 17868
6 1 1 . 1 1 4 4 THR N N 4 116.300 116.300 119.686 -3.386 17868
7 1 1 . 1 1 4 4 THR HA H 4 4.420 4.420 4.425 -0.005 17868
8 1 1 . 1 1 4 4 THR CA C 4 61.530 61.530 61.374 0.156 17868
9 1 1 . 1 1 4 4 THR CB C 4 69.950 69.950 69.748 0.202 17868
10 1 1 . 1 1 4 4 THR H H 4 8.140 8.140 8.272 -0.132 17868
11 1 1 . 1 1 5 5 THR N N 5 119.300 119.300 115.876 3.424 17868
12 1 1 . 1 1 5 5 THR HA H 5 4.610 4.610 4.712 -0.102 17868
13 1 1 . 1 1 5 5 THR CA C 5 59.790 59.790 60.209 -0.418 17868
14 1 1 . 1 1 5 5 THR CB C 5 69.830 69.830 68.965 0.865 17868
15 1 1 . 1 1 5 5 THR H H 5 8.220 8.220 8.294 -0.074 17868
16 1 1 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.687 -0.287 17868
17 1 1 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.317 0.863 17868
18 1 1 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.323 -0.163 17868
19 1 1 . 1 1 7 7 LEU N N 7 122.700 122.700 119.998 2.702 17868
20 1 1 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.210 0.080 17868
21 1 1 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.277 -0.027 17868
22 1 1 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.016 0.174 17868
23 1 1 . 1 1 7 7 LEU H H 7 8.310 8.310 8.053 0.257 17868
24 1 2 . 1 1 3 3 THR N N 3 113.800 113.800 114.281 -0.481 17868
25 1 2 . 1 1 3 3 THR HA H 3 4.440 4.440 4.272 0.168 17868
26 1 2 . 1 1 3 3 THR CA C 3 61.570 61.570 62.225 -0.655 17868
27 1 2 . 1 1 3 3 THR CB C 3 69.820 69.820 69.095 0.725 17868
28 1 2 . 1 1 3 3 THR H H 3 8.310 8.310 8.147 0.163 17868
29 1 2 . 1 1 4 4 THR N N 4 116.300 116.300 113.911 2.389 17868
30 1 2 . 1 1 4 4 THR HA H 4 4.420 4.420 4.642 -0.222 17868
31 1 2 . 1 1 4 4 THR CA C 4 61.530 61.530 61.367 0.163 17868
32 1 2 . 1 1 4 4 THR CB C 4 69.950 69.950 70.498 -0.548 17868
33 1 2 . 1 1 4 4 THR H H 4 8.140 8.140 8.032 0.108 17868
34 1 2 . 1 1 5 5 THR N N 5 119.300 119.300 115.332 3.968 17868
35 1 2 . 1 1 5 5 THR HA H 5 4.610 4.610 4.506 0.104 17868
36 1 2 . 1 1 5 5 THR CA C 5 59.790 59.790 61.410 -1.620 17868
37 1 2 . 1 1 5 5 THR CB C 5 69.830 69.830 69.071 0.759 17868
38 1 2 . 1 1 5 5 THR H H 5 8.220 8.220 8.094 0.126 17868
39 1 2 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.610 -0.210 17868
40 1 2 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.011 0.169 17868
41 1 2 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.235 -0.075 17868
42 1 2 . 1 1 7 7 LEU N N 7 122.700 122.700 123.958 -1.258 17868
43 1 2 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.509 -0.219 17868
44 1 2 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.586 0.664 17868
45 1 2 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.839 -1.649 17868
46 1 2 . 1 1 7 7 LEU H H 7 8.310 8.310 8.210 0.100 17868
47 1 3 . 1 1 3 3 THR N N 3 113.800 113.800 114.636 -0.836 17868
48 1 3 . 1 1 3 3 THR HA H 3 4.440 4.440 4.590 -0.150 17868
49 1 3 . 1 1 3 3 THR CA C 3 61.570 61.570 61.876 -0.306 17868
50 1 3 . 1 1 3 3 THR CB C 3 69.820 69.820 69.602 0.218 17868
51 1 3 . 1 1 3 3 THR H H 3 8.310 8.310 8.107 0.203 17868
52 1 3 . 1 1 4 4 THR N N 4 116.300 116.300 117.638 -1.338 17868
53 1 3 . 1 1 4 4 THR HA H 4 4.420 4.420 4.493 -0.073 17868
54 1 3 . 1 1 4 4 THR CA C 4 61.530 61.530 61.572 -0.042 17868
55 1 3 . 1 1 4 4 THR CB C 4 69.950 69.950 69.943 0.007 17868
56 1 3 . 1 1 4 4 THR H H 4 8.140 8.140 8.579 -0.439 17868
57 1 3 . 1 1 5 5 THR N N 5 119.300 119.300 116.129 3.171 17868
58 1 3 . 1 1 5 5 THR HA H 5 4.610 4.610 4.477 0.133 17868
59 1 3 . 1 1 5 5 THR CA C 5 59.790 59.790 61.266 -1.476 17868
60 1 3 . 1 1 5 5 THR CB C 5 69.830 69.830 69.346 0.484 17868
61 1 3 . 1 1 5 5 THR H H 5 8.220 8.220 8.126 0.094 17868
62 1 3 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.627 -0.227 17868
63 1 3 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.576 0.604 17868
64 1 3 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.340 -0.180 17868
65 1 3 . 1 1 7 7 LEU N N 7 122.700 122.700 123.179 -0.479 17868
66 1 3 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.044 0.246 17868
67 1 3 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.526 -1.276 17868
68 1 3 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.031 0.159 17868
69 1 3 . 1 1 7 7 LEU H H 7 8.310 8.310 8.460 -0.150 17868
70 1 4 . 1 1 3 3 THR N N 3 113.800 113.800 111.625 2.175 17868
71 1 4 . 1 1 3 3 THR HA H 3 4.440 4.440 4.451 -0.011 17868
72 1 4 . 1 1 3 3 THR CA C 3 61.570 61.570 62.022 -0.452 17868
73 1 4 . 1 1 3 3 THR CB C 3 69.820 69.820 69.336 0.484 17868
74 1 4 . 1 1 3 3 THR H H 3 8.310 8.310 8.060 0.250 17868
75 1 4 . 1 1 4 4 THR N N 4 116.300 116.300 118.036 -1.736 17868
76 1 4 . 1 1 4 4 THR HA H 4 4.420 4.420 4.465 -0.045 17868
77 1 4 . 1 1 4 4 THR CA C 4 61.530 61.530 61.558 -0.028 17868
78 1 4 . 1 1 4 4 THR CB C 4 69.950 69.950 69.505 0.445 17868
79 1 4 . 1 1 4 4 THR H H 4 8.140 8.140 7.701 0.439 17868
80 1 4 . 1 1 5 5 THR N N 5 119.300 119.300 118.642 0.658 17868
81 1 4 . 1 1 5 5 THR HA H 5 4.610 4.610 4.543 0.067 17868
82 1 4 . 1 1 5 5 THR CA C 5 59.790 59.790 59.797 -0.007 17868
83 1 4 . 1 1 5 5 THR CB C 5 69.830 69.830 68.253 1.577 17868
84 1 4 . 1 1 5 5 THR H H 5 8.220 8.220 8.320 -0.100 17868
85 1 4 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.514 -0.114 17868
86 1 4 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.698 0.482 17868
87 1 4 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.327 0.833 17868
88 1 4 . 1 1 7 7 LEU N N 7 122.700 122.700 125.456 -2.756 17868
89 1 4 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.349 -0.059 17868
90 1 4 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.609 0.641 17868
91 1 4 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.772 0.418 17868
92 1 4 . 1 1 7 7 LEU H H 7 8.310 8.310 8.302 0.008 17868
93 1 5 . 1 1 3 3 THR N N 3 113.800 113.800 115.799 -1.999 17868
94 1 5 . 1 1 3 3 THR HA H 3 4.440 4.440 4.234 0.206 17868
95 1 5 . 1 1 3 3 THR CA C 3 61.570 61.570 61.662 -0.092 17868
96 1 5 . 1 1 3 3 THR CB C 3 69.820 69.820 70.192 -0.372 17868
97 1 5 . 1 1 3 3 THR H H 3 8.310 8.310 8.209 0.101 17868
98 1 5 . 1 1 4 4 THR N N 4 116.300 116.300 115.903 0.397 17868
99 1 5 . 1 1 4 4 THR HA H 4 4.420 4.420 4.486 -0.066 17868
100 1 5 . 1 1 4 4 THR CA C 4 61.530 61.530 62.262 -0.732 17868
101 1 5 . 1 1 4 4 THR CB C 4 69.950 69.950 67.423 2.527 17868
102 1 5 . 1 1 4 4 THR H H 4 8.140 8.140 8.437 -0.297 17868
103 1 5 . 1 1 5 5 THR N N 5 119.300 119.300 118.825 0.475 17868
104 1 5 . 1 1 5 5 THR HA H 5 4.610 4.610 4.505 0.105 17868
105 1 5 . 1 1 5 5 THR CA C 5 59.790 59.790 64.694 -4.904 17868
106 1 5 . 1 1 5 5 THR CB C 5 69.830 69.830 67.518 2.312 17868
107 1 5 . 1 1 5 5 THR H H 5 8.220 8.220 7.991 0.229 17868
108 1 5 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.507 -0.107 17868
109 1 5 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.849 0.331 17868
110 1 5 . 1 1 6 6 PRO CB C 6 32.160 32.160 30.974 1.186 17868
111 1 5 . 1 1 7 7 LEU N N 7 122.700 122.700 121.842 0.858 17868
112 1 5 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.492 -0.202 17868
113 1 5 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.565 0.685 17868
114 1 5 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.242 -0.053 17868
115 1 5 . 1 1 7 7 LEU H H 7 8.310 8.310 7.311 0.999 17868
116 1 6 . 1 1 3 3 THR N N 3 113.800 113.800 114.108 -0.308 17868
117 1 6 . 1 1 3 3 THR HA H 3 4.440 4.440 5.035 -0.595 17868
118 1 6 . 1 1 3 3 THR CA C 3 61.570 61.570 61.765 -0.195 17868
119 1 6 . 1 1 3 3 THR CB C 3 69.820 69.820 70.669 -0.849 17868
120 1 6 . 1 1 3 3 THR H H 3 8.310 8.310 8.716 -0.406 17868
121 1 6 . 1 1 4 4 THR N N 4 116.300 116.300 115.945 0.355 17868
122 1 6 . 1 1 4 4 THR HA H 4 4.420 4.420 4.548 -0.128 17868
123 1 6 . 1 1 4 4 THR CA C 4 61.530 61.530 61.378 0.152 17868
124 1 6 . 1 1 4 4 THR CB C 4 69.950 69.950 69.626 0.324 17868
125 1 6 . 1 1 4 4 THR H H 4 8.140 8.140 8.538 -0.398 17868
126 1 6 . 1 1 5 5 THR N N 5 119.300 119.300 119.696 -0.396 17868
127 1 6 . 1 1 5 5 THR HA H 5 4.610 4.610 4.586 0.024 17868
128 1 6 . 1 1 5 5 THR CA C 5 59.790 59.790 61.082 -1.292 17868
129 1 6 . 1 1 5 5 THR CB C 5 69.830 69.830 69.243 0.587 17868
130 1 6 . 1 1 5 5 THR H H 5 8.220 8.220 8.274 -0.054 17868
131 1 6 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.660 -0.260 17868
132 1 6 . 1 1 6 6 PRO CA C 6 63.180 63.180 61.956 1.224 17868
133 1 6 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.550 -0.390 17868
134 1 6 . 1 1 7 7 LEU N N 7 122.700 122.700 120.658 2.042 17868
135 1 6 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.113 0.177 17868
136 1 6 . 1 1 7 7 LEU CA C 7 55.250 55.250 57.004 -1.754 17868
137 1 6 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.686 0.504 17868
138 1 6 . 1 1 7 7 LEU H H 7 8.310 8.310 8.248 0.062 17868
139 1 7 . 1 1 3 3 THR N N 3 113.800 113.800 119.751 -5.951 17868
140 1 7 . 1 1 3 3 THR HA H 3 4.440 4.440 4.212 0.228 17868
141 1 7 . 1 1 3 3 THR CA C 3 61.570 61.570 63.297 -1.727 17868
142 1 7 . 1 1 3 3 THR CB C 3 69.820 69.820 68.708 1.112 17868
143 1 7 . 1 1 3 3 THR H H 3 8.310 8.310 8.148 0.162 17868
144 1 7 . 1 1 4 4 THR N N 4 116.300 116.300 124.226 -7.926 17868
145 1 7 . 1 1 4 4 THR HA H 4 4.420 4.420 4.467 -0.047 17868
146 1 7 . 1 1 4 4 THR CA C 4 61.530 61.530 62.115 -0.585 17868
147 1 7 . 1 1 4 4 THR CB C 4 69.950 69.950 68.220 1.730 17868
148 1 7 . 1 1 4 4 THR H H 4 8.140 8.140 8.472 -0.332 17868
149 1 7 . 1 1 5 5 THR N N 5 119.300 119.300 119.318 -0.018 17868
150 1 7 . 1 1 5 5 THR HA H 5 4.610 4.610 4.489 0.121 17868
151 1 7 . 1 1 5 5 THR CA C 5 59.790 59.790 63.129 -3.339 17868
152 1 7 . 1 1 5 5 THR CB C 5 69.830 69.830 68.093 1.738 17868
153 1 7 . 1 1 5 5 THR H H 5 8.220 8.220 7.760 0.460 17868
154 1 7 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.471 -0.071 17868
155 1 7 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.778 0.402 17868
156 1 7 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.753 0.407 17868
157 1 7 . 1 1 7 7 LEU N N 7 122.700 122.700 125.463 -2.763 17868
158 1 7 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.274 0.016 17868
159 1 7 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.254 -0.004 17868
160 1 7 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.042 0.148 17868
161 1 7 . 1 1 7 7 LEU H H 7 8.310 8.310 8.165 0.145 17868
162 1 8 . 1 1 3 3 THR N N 3 113.800 113.800 117.455 -3.655 17868
163 1 8 . 1 1 3 3 THR HA H 3 4.440 4.440 4.496 -0.056 17868
164 1 8 . 1 1 3 3 THR CA C 3 61.570 61.570 62.766 -1.196 17868
165 1 8 . 1 1 3 3 THR CB C 3 69.820 69.820 69.163 0.657 17868
166 1 8 . 1 1 3 3 THR H H 3 8.310 8.310 8.281 0.029 17868
167 1 8 . 1 1 4 4 THR N N 4 116.300 116.300 120.012 -3.712 17868
168 1 8 . 1 1 4 4 THR HA H 4 4.420 4.420 4.468 -0.048 17868
169 1 8 . 1 1 4 4 THR CA C 4 61.530 61.530 62.519 -0.989 17868
170 1 8 . 1 1 4 4 THR CB C 4 69.950 69.950 69.059 0.891 17868
171 1 8 . 1 1 4 4 THR H H 4 8.140 8.140 8.406 -0.266 17868
172 1 8 . 1 1 5 5 THR N N 5 119.300 119.300 119.810 -0.510 17868
173 1 8 . 1 1 5 5 THR HA H 5 4.610 4.610 4.638 -0.028 17868
174 1 8 . 1 1 5 5 THR CA C 5 59.790 59.790 59.822 -0.032 17868
175 1 8 . 1 1 5 5 THR CB C 5 69.830 69.830 69.471 0.359 17868
176 1 8 . 1 1 5 5 THR H H 5 8.220 8.220 7.994 0.226 17868
177 1 8 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.543 -0.143 17868
178 1 8 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.654 0.527 17868
179 1 8 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.424 0.736 17868
180 1 8 . 1 1 7 7 LEU N N 7 122.700 122.700 127.128 -4.428 17868
181 1 8 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.491 -0.201 17868
182 1 8 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.337 0.913 17868
183 1 8 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.181 0.009 17868
184 1 8 . 1 1 7 7 LEU H H 7 8.310 8.310 8.354 -0.044 17868
185 1 9 . 1 1 3 3 THR N N 3 113.800 113.800 116.357 -2.557 17868
186 1 9 . 1 1 3 3 THR HA H 3 4.440 4.440 4.084 0.356 17868
187 1 9 . 1 1 3 3 THR CA C 3 61.570 61.570 62.496 -0.926 17868
188 1 9 . 1 1 3 3 THR CB C 3 69.820 69.820 69.015 0.805 17868
189 1 9 . 1 1 3 3 THR H H 3 8.310 8.310 7.912 0.398 17868
190 1 9 . 1 1 4 4 THR N N 4 116.300 116.300 119.227 -2.927 17868
191 1 9 . 1 1 4 4 THR HA H 4 4.420 4.420 4.479 -0.059 17868
192 1 9 . 1 1 4 4 THR CA C 4 61.530 61.530 62.146 -0.616 17868
193 1 9 . 1 1 4 4 THR CB C 4 69.950 69.950 69.598 0.352 17868
194 1 9 . 1 1 4 4 THR H H 4 8.140 8.140 8.194 -0.054 17868
195 1 9 . 1 1 5 5 THR N N 5 119.300 119.300 121.101 -1.801 17868
196 1 9 . 1 1 5 5 THR HA H 5 4.610 4.610 4.571 0.039 17868
197 1 9 . 1 1 5 5 THR CA C 5 59.790 59.790 59.655 0.135 17868
198 1 9 . 1 1 5 5 THR CB C 5 69.830 69.830 69.470 0.360 17868
199 1 9 . 1 1 5 5 THR H H 5 8.220 8.220 8.276 -0.056 17868
200 1 9 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.571 -0.171 17868
201 1 9 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.310 0.870 17868
202 1 9 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.257 -0.097 17868
203 1 9 . 1 1 7 7 LEU N N 7 122.700 122.700 122.424 0.276 17868
204 1 9 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.388 -0.098 17868
205 1 9 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.995 0.255 17868
206 1 9 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.865 0.325 17868
207 1 9 . 1 1 7 7 LEU H H 7 8.310 8.310 8.237 0.073 17868
208 1 10 . 1 1 3 3 THR N N 3 113.800 113.800 117.142 -3.342 17868
209 1 10 . 1 1 3 3 THR HA H 3 4.440 4.440 4.568 -0.128 17868
210 1 10 . 1 1 3 3 THR CA C 3 61.570 61.570 62.393 -0.823 17868
211 1 10 . 1 1 3 3 THR CB C 3 69.820 69.820 69.702 0.118 17868
212 1 10 . 1 1 3 3 THR H H 3 8.310 8.310 8.414 -0.104 17868
213 1 10 . 1 1 4 4 THR N N 4 116.300 116.300 115.927 0.373 17868
214 1 10 . 1 1 4 4 THR HA H 4 4.420 4.420 4.390 0.030 17868
215 1 10 . 1 1 4 4 THR CA C 4 61.530 61.530 61.529 0.001 17868
216 1 10 . 1 1 4 4 THR CB C 4 69.950 69.950 69.417 0.533 17868
217 1 10 . 1 1 4 4 THR H H 4 8.140 8.140 8.289 -0.149 17868
218 1 10 . 1 1 5 5 THR N N 5 119.300 119.300 115.854 3.446 17868
219 1 10 . 1 1 5 5 THR HA H 5 4.610 4.610 4.112 0.498 17868
220 1 10 . 1 1 5 5 THR CA C 5 59.790 59.790 62.104 -2.314 17868
221 1 10 . 1 1 5 5 THR CB C 5 69.830 69.830 68.412 1.418 17868
222 1 10 . 1 1 5 5 THR H H 5 8.220 8.220 8.081 0.139 17868
223 1 10 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.507 -0.107 17868
224 1 10 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.335 0.845 17868
225 1 10 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.275 -0.115 17868
226 1 10 . 1 1 7 7 LEU N N 7 122.700 122.700 120.080 2.620 17868
227 1 10 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.373 -0.083 17868
228 1 10 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.423 -0.173 17868
229 1 10 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.194 -0.004 17868
230 1 10 . 1 1 7 7 LEU H H 7 8.310 8.310 8.108 0.202 17868
231 1 11 . 1 1 3 3 THR N N 3 113.800 113.800 114.882 -1.082 17868
232 1 11 . 1 1 3 3 THR HA H 3 4.440 4.440 4.461 -0.021 17868
233 1 11 . 1 1 3 3 THR CA C 3 61.570 61.570 62.251 -0.680 17868
234 1 11 . 1 1 3 3 THR CB C 3 69.820 69.820 69.747 0.073 17868
235 1 11 . 1 1 3 3 THR H H 3 8.310 8.310 8.213 0.097 17868
236 1 11 . 1 1 4 4 THR N N 4 116.300 116.300 117.911 -1.611 17868
237 1 11 . 1 1 4 4 THR HA H 4 4.420 4.420 4.380 0.040 17868
238 1 11 . 1 1 4 4 THR CA C 4 61.530 61.530 62.490 -0.960 17868
239 1 11 . 1 1 4 4 THR CB C 4 69.950 69.950 69.446 0.504 17868
240 1 11 . 1 1 4 4 THR H H 4 8.140 8.140 7.612 0.528 17868
241 1 11 . 1 1 5 5 THR N N 5 119.300 119.300 121.803 -2.503 17868
242 1 11 . 1 1 5 5 THR HA H 5 4.610 4.610 4.170 0.440 17868
243 1 11 . 1 1 5 5 THR CA C 5 59.790 59.790 62.371 -2.581 17868
244 1 11 . 1 1 5 5 THR CB C 5 69.830 69.830 68.343 1.487 17868
245 1 11 . 1 1 5 5 THR H H 5 8.220 8.220 8.624 -0.404 17868
246 1 11 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.480 -0.080 17868
247 1 11 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.654 0.526 17868
248 1 11 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.367 0.793 17868
249 1 11 . 1 1 7 7 LEU N N 7 122.700 122.700 121.430 1.270 17868
250 1 11 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.187 0.103 17868
251 1 11 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.335 -1.085 17868
252 1 11 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.671 -0.481 17868
253 1 11 . 1 1 7 7 LEU H H 7 8.310 8.310 7.289 1.021 17868
254 1 12 . 1 1 3 3 THR N N 3 113.800 113.800 119.880 -6.080 17868
255 1 12 . 1 1 3 3 THR HA H 3 4.440 4.440 4.401 0.039 17868
256 1 12 . 1 1 3 3 THR CA C 3 61.570 61.570 62.789 -1.219 17868
257 1 12 . 1 1 3 3 THR CB C 3 69.820 69.820 69.428 0.392 17868
258 1 12 . 1 1 3 3 THR H H 3 8.310 8.310 8.307 0.003 17868
259 1 12 . 1 1 4 4 THR N N 4 116.300 116.300 120.149 -3.849 17868
260 1 12 . 1 1 4 4 THR HA H 4 4.420 4.420 4.438 -0.018 17868
261 1 12 . 1 1 4 4 THR CA C 4 61.530 61.530 61.492 0.038 17868
262 1 12 . 1 1 4 4 THR CB C 4 69.950 69.950 69.928 0.022 17868
263 1 12 . 1 1 4 4 THR H H 4 8.140 8.140 8.180 -0.040 17868
264 1 12 . 1 1 5 5 THR N N 5 119.300 119.300 115.430 3.870 17868
265 1 12 . 1 1 5 5 THR HA H 5 4.610 4.610 4.148 0.462 17868
266 1 12 . 1 1 5 5 THR CA C 5 59.790 59.790 61.970 -2.180 17868
267 1 12 . 1 1 5 5 THR CB C 5 69.830 69.830 67.807 2.023 17868
268 1 12 . 1 1 5 5 THR H H 5 8.220 8.220 8.258 -0.038 17868
269 1 12 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.489 -0.089 17868
270 1 12 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.283 0.897 17868
271 1 12 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.321 -0.161 17868
272 1 12 . 1 1 7 7 LEU N N 7 122.700 122.700 119.648 3.052 17868
273 1 12 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.374 -0.084 17868
274 1 12 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.992 0.258 17868
275 1 12 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.285 -0.096 17868
276 1 12 . 1 1 7 7 LEU H H 7 8.310 8.310 8.185 0.125 17868
277 1 13 . 1 1 3 3 THR N N 3 113.800 113.800 117.692 -3.892 17868
278 1 13 . 1 1 3 3 THR HA H 3 4.440 4.440 4.500 -0.060 17868
279 1 13 . 1 1 3 3 THR CA C 3 61.570 61.570 62.004 -0.434 17868
280 1 13 . 1 1 3 3 THR CB C 3 69.820 69.820 69.024 0.796 17868
281 1 13 . 1 1 3 3 THR H H 3 8.310 8.310 8.266 0.044 17868
282 1 13 . 1 1 4 4 THR N N 4 116.300 116.300 117.344 -1.044 17868
283 1 13 . 1 1 4 4 THR HA H 4 4.420 4.420 4.322 0.098 17868
284 1 13 . 1 1 4 4 THR CA C 4 61.530 61.530 61.711 -0.181 17868
285 1 13 . 1 1 4 4 THR CB C 4 69.950 69.950 68.991 0.959 17868
286 1 13 . 1 1 4 4 THR H H 4 8.140 8.140 8.700 -0.560 17868
287 1 13 . 1 1 5 5 THR N N 5 119.300 119.300 116.636 2.664 17868
288 1 13 . 1 1 5 5 THR HA H 5 4.610 4.610 4.026 0.584 17868
289 1 13 . 1 1 5 5 THR CA C 5 59.790 59.790 63.281 -3.491 17868
290 1 13 . 1 1 5 5 THR CB C 5 69.830 69.830 67.942 1.888 17868
291 1 13 . 1 1 5 5 THR H H 5 8.220 8.220 7.654 0.566 17868
292 1 13 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.634 -0.234 17868
293 1 13 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.757 0.423 17868
294 1 13 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.309 0.851 17868
295 1 13 . 1 1 7 7 LEU N N 7 122.700 122.700 120.003 2.697 17868
296 1 13 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.989 0.301 17868
297 1 13 . 1 1 7 7 LEU CA C 7 55.250 55.250 57.535 -2.285 17868
298 1 13 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.228 -0.039 17868
299 1 13 . 1 1 7 7 LEU H H 7 8.310 8.310 7.777 0.533 17868
300 1 14 . 1 1 3 3 THR N N 3 113.800 113.800 116.115 -2.315 17868
301 1 14 . 1 1 3 3 THR HA H 3 4.440 4.440 4.523 -0.083 17868
302 1 14 . 1 1 3 3 THR CA C 3 61.570 61.570 61.768 -0.198 17868
303 1 14 . 1 1 3 3 THR CB C 3 69.820 69.820 69.070 0.750 17868
304 1 14 . 1 1 3 3 THR H H 3 8.310 8.310 8.376 -0.066 17868
305 1 14 . 1 1 4 4 THR N N 4 116.300 116.300 117.354 -1.054 17868
306 1 14 . 1 1 4 4 THR HA H 4 4.420 4.420 4.449 -0.029 17868
307 1 14 . 1 1 4 4 THR CA C 4 61.530 61.530 62.067 -0.537 17868
308 1 14 . 1 1 4 4 THR CB C 4 69.950 69.950 69.820 0.130 17868
309 1 14 . 1 1 4 4 THR H H 4 8.140 8.140 8.099 0.041 17868
310 1 14 . 1 1 5 5 THR N N 5 119.300 119.300 121.409 -2.109 17868
311 1 14 . 1 1 5 5 THR HA H 5 4.610 4.610 4.685 -0.075 17868
312 1 14 . 1 1 5 5 THR CA C 5 59.790 59.790 60.864 -1.074 17868
313 1 14 . 1 1 5 5 THR CB C 5 69.830 69.830 69.330 0.500 17868
314 1 14 . 1 1 5 5 THR H H 5 8.220 8.220 8.285 -0.065 17868
315 1 14 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.543 -0.143 17868
316 1 14 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.027 1.153 17868
317 1 14 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.445 -0.285 17868
318 1 14 . 1 1 7 7 LEU N N 7 122.700 122.700 120.856 1.844 17868
319 1 14 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.319 -0.029 17868
320 1 14 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.682 -0.432 17868
321 1 14 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.370 1.820 17868
322 1 14 . 1 1 7 7 LEU H H 7 8.310 8.310 8.283 0.027 17868
323 1 15 . 1 1 3 3 THR N N 3 113.800 113.800 117.350 -3.550 17868
324 1 15 . 1 1 3 3 THR HA H 3 4.440 4.440 4.356 0.084 17868
325 1 15 . 1 1 3 3 THR CA C 3 61.570 61.570 62.581 -1.011 17868
326 1 15 . 1 1 3 3 THR CB C 3 69.820 69.820 69.331 0.489 17868
327 1 15 . 1 1 3 3 THR H H 3 8.310 8.310 8.480 -0.170 17868
328 1 15 . 1 1 4 4 THR N N 4 116.300 116.300 117.210 -0.910 17868
329 1 15 . 1 1 4 4 THR HA H 4 4.420 4.420 4.562 -0.142 17868
330 1 15 . 1 1 4 4 THR CA C 4 61.530 61.530 62.150 -0.620 17868
331 1 15 . 1 1 4 4 THR CB C 4 69.950 69.950 70.193 -0.243 17868
332 1 15 . 1 1 4 4 THR H H 4 8.140 8.140 7.738 0.402 17868
333 1 15 . 1 1 5 5 THR N N 5 119.300 119.300 119.987 -0.687 17868
334 1 15 . 1 1 5 5 THR HA H 5 4.610 4.610 4.553 0.057 17868
335 1 15 . 1 1 5 5 THR CA C 5 59.790 59.790 61.574 -1.784 17868
336 1 15 . 1 1 5 5 THR CB C 5 69.830 69.830 70.076 -0.246 17868
337 1 15 . 1 1 5 5 THR H H 5 8.220 8.220 8.178 0.042 17868
338 1 15 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.558 -0.158 17868
339 1 15 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.603 0.577 17868
340 1 15 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.869 0.291 17868
341 1 15 . 1 1 7 7 LEU N N 7 122.700 122.700 125.600 -2.900 17868
342 1 15 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.365 -0.075 17868
343 1 15 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.912 0.338 17868
344 1 15 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.556 -0.366 17868
345 1 15 . 1 1 7 7 LEU H H 7 8.310 8.310 8.293 0.017 17868
346 1 16 . 1 1 3 3 THR N N 3 113.800 113.800 113.414 0.386 17868
347 1 16 . 1 1 3 3 THR HA H 3 4.440 4.440 4.828 -0.388 17868
348 1 16 . 1 1 3 3 THR CA C 3 61.570 61.570 61.503 0.067 17868
349 1 16 . 1 1 3 3 THR CB C 3 69.820 69.820 70.742 -0.922 17868
350 1 16 . 1 1 3 3 THR H H 3 8.310 8.310 8.816 -0.506 17868
351 1 16 . 1 1 4 4 THR N N 4 116.300 116.300 112.635 3.665 17868
352 1 16 . 1 1 4 4 THR HA H 4 4.420 4.420 4.355 0.065 17868
353 1 16 . 1 1 4 4 THR CA C 4 61.530 61.530 61.262 0.268 17868
354 1 16 . 1 1 4 4 THR CB C 4 69.950 69.950 70.063 -0.113 17868
355 1 16 . 1 1 4 4 THR H H 4 8.140 8.140 8.083 0.057 17868
356 1 16 . 1 1 5 5 THR N N 5 119.300 119.300 110.931 8.369 17868
357 1 16 . 1 1 5 5 THR HA H 5 4.610 4.610 4.065 0.545 17868
358 1 16 . 1 1 5 5 THR CA C 5 59.790 59.790 61.884 -2.094 17868
359 1 16 . 1 1 5 5 THR CB C 5 69.830 69.830 67.260 2.570 17868
360 1 16 . 1 1 5 5 THR H H 5 8.220 8.220 8.275 -0.055 17868
361 1 16 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.274 0.126 17868
362 1 16 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.030 0.150 17868
363 1 16 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.360 -0.200 17868
364 1 16 . 1 1 7 7 LEU N N 7 122.700 122.700 120.373 2.327 17868
365 1 16 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.570 -0.280 17868
366 1 16 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.304 0.946 17868
367 1 16 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.299 -0.109 17868
368 1 16 . 1 1 7 7 LEU H H 7 8.310 8.310 8.245 0.065 17868
369 1 17 . 1 1 3 3 THR N N 3 113.800 113.800 112.484 1.316 17868
370 1 17 . 1 1 3 3 THR HA H 3 4.440 4.440 4.233 0.207 17868
371 1 17 . 1 1 3 3 THR CA C 3 61.570 61.570 62.513 -0.943 17868
372 1 17 . 1 1 3 3 THR CB C 3 69.820 69.820 69.239 0.581 17868
373 1 17 . 1 1 3 3 THR H H 3 8.310 8.310 8.223 0.087 17868
374 1 17 . 1 1 4 4 THR N N 4 116.300 116.300 117.649 -1.349 17868
375 1 17 . 1 1 4 4 THR HA H 4 4.420 4.420 4.372 0.048 17868
376 1 17 . 1 1 4 4 THR CA C 4 61.530 61.530 62.794 -1.264 17868
377 1 17 . 1 1 4 4 THR CB C 4 69.950 69.950 69.441 0.509 17868
378 1 17 . 1 1 4 4 THR H H 4 8.140 8.140 7.558 0.582 17868
379 1 17 . 1 1 5 5 THR N N 5 119.300 119.300 118.088 1.212 17868
380 1 17 . 1 1 5 5 THR HA H 5 4.610 4.610 4.123 0.487 17868
381 1 17 . 1 1 5 5 THR CA C 5 59.790 59.790 62.092 -2.302 17868
382 1 17 . 1 1 5 5 THR CB C 5 69.830 69.830 67.787 2.043 17868
383 1 17 . 1 1 5 5 THR H H 5 8.220 8.220 8.443 -0.223 17868
384 1 17 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.452 -0.052 17868
385 1 17 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.578 0.602 17868
386 1 17 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.685 0.475 17868
387 1 17 . 1 1 7 7 LEU N N 7 122.700 122.700 123.109 -0.409 17868
388 1 17 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.943 0.347 17868
389 1 17 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.627 -0.377 17868
390 1 17 . 1 1 7 7 LEU CB C 7 42.190 42.190 39.940 2.250 17868
391 1 17 . 1 1 7 7 LEU H H 7 8.310 8.310 8.643 -0.333 17868
392 1 18 . 1 1 3 3 THR N N 3 113.800 113.800 114.545 -0.745 17868
393 1 18 . 1 1 3 3 THR HA H 3 4.440 4.440 4.486 -0.046 17868
394 1 18 . 1 1 3 3 THR CA C 3 61.570 61.570 62.270 -0.700 17868
395 1 18 . 1 1 3 3 THR CB C 3 69.820 69.820 70.459 -0.639 17868
396 1 18 . 1 1 3 3 THR H H 3 8.310 8.310 8.172 0.138 17868
397 1 18 . 1 1 4 4 THR N N 4 116.300 116.300 123.917 -7.617 17868
398 1 18 . 1 1 4 4 THR HA H 4 4.420 4.420 4.481 -0.061 17868
399 1 18 . 1 1 4 4 THR CA C 4 61.530 61.530 62.943 -1.413 17868
400 1 18 . 1 1 4 4 THR CB C 4 69.950 69.950 68.694 1.256 17868
401 1 18 . 1 1 4 4 THR H H 4 8.140 8.140 8.563 -0.423 17868
402 1 18 . 1 1 5 5 THR N N 5 119.300 119.300 118.034 1.266 17868
403 1 18 . 1 1 5 5 THR HA H 5 4.610 4.610 4.572 0.038 17868
404 1 18 . 1 1 5 5 THR CA C 5 59.790 59.790 59.866 -0.076 17868
405 1 18 . 1 1 5 5 THR CB C 5 69.830 69.830 69.317 0.513 17868
406 1 18 . 1 1 5 5 THR H H 5 8.220 8.220 7.851 0.369 17868
407 1 18 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.651 -0.251 17868
408 1 18 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.754 0.426 17868
409 1 18 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.246 -0.086 17868
410 1 18 . 1 1 7 7 LEU N N 7 122.700 122.700 124.970 -2.270 17868
411 1 18 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.586 -0.296 17868
412 1 18 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.425 0.825 17868
413 1 18 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.797 -0.607 17868
414 1 18 . 1 1 7 7 LEU H H 7 8.310 8.310 8.349 -0.039 17868
415 1 19 . 1 1 3 3 THR N N 3 113.800 113.800 116.160 -2.360 17868
416 1 19 . 1 1 3 3 THR HA H 3 4.440 4.440 4.404 0.036 17868
417 1 19 . 1 1 3 3 THR CA C 3 61.570 61.570 62.505 -0.935 17868
418 1 19 . 1 1 3 3 THR CB C 3 69.820 69.820 68.775 1.045 17868
419 1 19 . 1 1 3 3 THR H H 3 8.310 8.310 8.090 0.220 17868
420 1 19 . 1 1 4 4 THR N N 4 116.300 116.300 120.448 -4.148 17868
421 1 19 . 1 1 4 4 THR HA H 4 4.420 4.420 4.610 -0.190 17868
422 1 19 . 1 1 4 4 THR CA C 4 61.530 61.530 61.958 -0.428 17868
423 1 19 . 1 1 4 4 THR CB C 4 69.950 69.950 69.243 0.707 17868
424 1 19 . 1 1 4 4 THR H H 4 8.140 8.140 8.216 -0.076 17868
425 1 19 . 1 1 5 5 THR N N 5 119.300 119.300 120.587 -1.287 17868
426 1 19 . 1 1 5 5 THR HA H 5 4.610 4.610 4.588 0.022 17868
427 1 19 . 1 1 5 5 THR CA C 5 59.790 59.790 59.646 0.144 17868
428 1 19 . 1 1 5 5 THR CB C 5 69.830 69.830 69.735 0.095 17868
429 1 19 . 1 1 5 5 THR H H 5 8.220 8.220 8.176 0.044 17868
430 1 19 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.595 -0.195 17868
431 1 19 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.304 -0.124 17868
432 1 19 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.319 0.841 17868
433 1 19 . 1 1 7 7 LEU N N 7 122.700 122.700 125.632 -2.932 17868
434 1 19 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.493 -0.203 17868
435 1 19 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.709 -0.459 17868
436 1 19 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.560 -1.370 17868
437 1 19 . 1 1 7 7 LEU H H 7 8.310 8.310 8.619 -0.309 17868
438 1 20 . 1 1 3 3 THR N N 3 113.800 113.800 111.129 2.671 17868
439 1 20 . 1 1 3 3 THR HA H 3 4.440 4.440 4.649 -0.209 17868
440 1 20 . 1 1 3 3 THR CA C 3 61.570 61.570 62.377 -0.807 17868
441 1 20 . 1 1 3 3 THR CB C 3 69.820 69.820 70.316 -0.496 17868
442 1 20 . 1 1 3 3 THR H H 3 8.310 8.310 8.204 0.106 17868
443 1 20 . 1 1 4 4 THR N N 4 116.300 116.300 115.711 0.589 17868
444 1 20 . 1 1 4 4 THR HA H 4 4.420 4.420 4.756 -0.336 17868
445 1 20 . 1 1 4 4 THR CA C 4 61.530 61.530 61.505 0.025 17868
446 1 20 . 1 1 4 4 THR CB C 4 69.950 69.950 71.234 -1.284 17868
447 1 20 . 1 1 4 4 THR H H 4 8.140 8.140 8.448 -0.308 17868
448 1 20 . 1 1 5 5 THR N N 5 119.300 119.300 113.856 5.444 17868
449 1 20 . 1 1 5 5 THR HA H 5 4.610 4.610 4.745 -0.135 17868
450 1 20 . 1 1 5 5 THR CA C 5 59.790 59.790 60.207 -0.417 17868
451 1 20 . 1 1 5 5 THR CB C 5 69.830 69.830 69.415 0.415 17868
452 1 20 . 1 1 5 5 THR H H 5 8.220 8.220 7.973 0.247 17868
453 1 20 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.774 -0.374 17868
454 1 20 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.770 0.410 17868
455 1 20 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.132 0.028 17868
456 1 20 . 1 1 7 7 LEU N N 7 122.700 122.700 120.323 2.377 17868
457 1 20 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.666 -0.376 17868
458 1 20 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.471 0.779 17868
459 1 20 . 1 1 7 7 LEU CB C 7 42.190 42.190 44.116 -1.926 17868
460 1 20 . 1 1 7 7 LEU H H 7 8.310 8.310 8.578 -0.268 17868
461 1 21 . 1 1 3 3 THR N N 3 113.800 113.800 113.187 0.613 17868
462 1 21 . 1 1 3 3 THR HA H 3 4.440 4.440 4.378 0.062 17868
463 1 21 . 1 1 3 3 THR CA C 3 61.570 61.570 62.686 -1.116 17868
464 1 21 . 1 1 3 3 THR CB C 3 69.820 69.820 69.722 0.098 17868
465 1 21 . 1 1 3 3 THR H H 3 8.310 8.310 7.799 0.511 17868
466 1 21 . 1 1 4 4 THR N N 4 116.300 116.300 117.573 -1.273 17868
467 1 21 . 1 1 4 4 THR HA H 4 4.420 4.420 4.425 -0.005 17868
468 1 21 . 1 1 4 4 THR CA C 4 61.530 61.530 62.453 -0.923 17868
469 1 21 . 1 1 4 4 THR CB C 4 69.950 69.950 69.814 0.136 17868
470 1 21 . 1 1 4 4 THR H H 4 8.140 8.140 7.780 0.360 17868
471 1 21 . 1 1 5 5 THR N N 5 119.300 119.300 117.373 1.927 17868
472 1 21 . 1 1 5 5 THR HA H 5 4.610 4.610 4.524 0.086 17868
473 1 21 . 1 1 5 5 THR CA C 5 59.790 59.790 60.549 -0.759 17868
474 1 21 . 1 1 5 5 THR CB C 5 69.830 69.830 68.557 1.273 17868
475 1 21 . 1 1 5 5 THR H H 5 8.220 8.220 8.247 -0.027 17868
476 1 21 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.653 -0.253 17868
477 1 21 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.705 0.475 17868
478 1 21 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.423 -0.263 17868
479 1 21 . 1 1 7 7 LEU N N 7 122.700 122.700 124.095 -1.395 17868
480 1 21 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.202 0.088 17868
481 1 21 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.047 -0.797 17868
482 1 21 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.327 -0.137 17868
483 1 21 . 1 1 7 7 LEU H H 7 8.310 8.310 8.586 -0.276 17868
484 1 22 . 1 1 3 3 THR N N 3 113.800 113.800 114.318 -0.518 17868
485 1 22 . 1 1 3 3 THR HA H 3 4.440 4.440 4.522 -0.082 17868
486 1 22 . 1 1 3 3 THR CA C 3 61.570 61.570 61.224 0.346 17868
487 1 22 . 1 1 3 3 THR CB C 3 69.820 69.820 69.858 -0.038 17868
488 1 22 . 1 1 3 3 THR H H 3 8.310 8.310 8.001 0.309 17868
489 1 22 . 1 1 4 4 THR N N 4 116.300 116.300 112.096 4.204 17868
490 1 22 . 1 1 4 4 THR HA H 4 4.420 4.420 4.498 -0.078 17868
491 1 22 . 1 1 4 4 THR CA C 4 61.530 61.530 62.003 -0.473 17868
492 1 22 . 1 1 4 4 THR CB C 4 69.950 69.950 69.508 0.441 17868
493 1 22 . 1 1 4 4 THR H H 4 8.140 8.140 7.982 0.158 17868
494 1 22 . 1 1 5 5 THR N N 5 119.300 119.300 114.907 4.393 17868
495 1 22 . 1 1 5 5 THR HA H 5 4.610 4.610 4.036 0.574 17868
496 1 22 . 1 1 5 5 THR CA C 5 59.790 59.790 62.445 -2.655 17868
497 1 22 . 1 1 5 5 THR CB C 5 69.830 69.830 67.803 2.027 17868
498 1 22 . 1 1 5 5 THR H H 5 8.220 8.220 7.995 0.225 17868
499 1 22 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.288 0.112 17868
500 1 22 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.028 0.152 17868
501 1 22 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.249 -0.089 17868
502 1 22 . 1 1 7 7 LEU N N 7 122.700 122.700 115.643 7.057 17868
503 1 22 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.561 -0.271 17868
504 1 22 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.490 0.760 17868
505 1 22 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.466 0.724 17868
506 1 22 . 1 1 7 7 LEU H H 7 8.310 8.310 8.306 0.004 17868
507 1 23 . 1 1 3 3 THR N N 3 113.800 113.800 113.469 0.331 17868
508 1 23 . 1 1 3 3 THR HA H 3 4.440 4.440 4.499 -0.059 17868
509 1 23 . 1 1 3 3 THR CA C 3 61.570 61.570 62.253 -0.683 17868
510 1 23 . 1 1 3 3 THR CB C 3 69.820 69.820 69.492 0.328 17868
511 1 23 . 1 1 3 3 THR H H 3 8.310 8.310 8.231 0.079 17868
512 1 23 . 1 1 4 4 THR N N 4 116.300 116.300 121.717 -5.417 17868
513 1 23 . 1 1 4 4 THR HA H 4 4.420 4.420 4.476 -0.056 17868
514 1 23 . 1 1 4 4 THR CA C 4 61.530 61.530 61.465 0.065 17868
515 1 23 . 1 1 4 4 THR CB C 4 69.950 69.950 68.239 1.711 17868
516 1 23 . 1 1 4 4 THR H H 4 8.140 8.140 8.417 -0.277 17868
517 1 23 . 1 1 5 5 THR N N 5 119.300 119.300 119.304 -0.004 17868
518 1 23 . 1 1 5 5 THR HA H 5 4.610 4.610 4.627 -0.017 17868
519 1 23 . 1 1 5 5 THR CA C 5 59.790 59.790 59.419 0.371 17868
520 1 23 . 1 1 5 5 THR CB C 5 69.830 69.830 68.823 1.008 17868
521 1 23 . 1 1 5 5 THR H H 5 8.220 8.220 7.549 0.671 17868
522 1 23 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.357 0.043 17868
523 1 23 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.691 -0.511 17868
524 1 23 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.804 0.356 17868
525 1 23 . 1 1 7 7 LEU N N 7 122.700 122.700 122.516 0.184 17868
526 1 23 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.897 0.393 17868
527 1 23 . 1 1 7 7 LEU CA C 7 55.250 55.250 57.470 -2.220 17868
528 1 23 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.446 0.744 17868
529 1 23 . 1 1 7 7 LEU H H 7 8.310 8.310 8.507 -0.197 17868
530 1 24 . 1 1 3 3 THR N N 3 113.800 113.800 115.418 -1.618 17868
531 1 24 . 1 1 3 3 THR HA H 3 4.440 4.440 4.221 0.219 17868
532 1 24 . 1 1 3 3 THR CA C 3 61.570 61.570 63.117 -1.547 17868
533 1 24 . 1 1 3 3 THR CB C 3 69.820 69.820 68.717 1.103 17868
534 1 24 . 1 1 3 3 THR H H 3 8.310 8.310 8.204 0.106 17868
535 1 24 . 1 1 4 4 THR N N 4 116.300 116.300 116.149 0.151 17868
536 1 24 . 1 1 4 4 THR HA H 4 4.420 4.420 4.482 -0.062 17868
537 1 24 . 1 1 4 4 THR CA C 4 61.530 61.530 61.706 -0.176 17868
538 1 24 . 1 1 4 4 THR CB C 4 69.950 69.950 69.905 0.045 17868
539 1 24 . 1 1 4 4 THR H H 4 8.140 8.140 7.816 0.324 17868
540 1 24 . 1 1 5 5 THR N N 5 119.300 119.300 116.257 3.043 17868
541 1 24 . 1 1 5 5 THR HA H 5 4.610 4.610 4.508 0.102 17868
542 1 24 . 1 1 5 5 THR CA C 5 59.790 59.790 59.211 0.579 17868
543 1 24 . 1 1 5 5 THR CB C 5 69.830 69.830 69.508 0.322 17868
544 1 24 . 1 1 5 5 THR H H 5 8.220 8.220 8.158 0.062 17868
545 1 24 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.477 -0.077 17868
546 1 24 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.817 0.363 17868
547 1 24 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.004 1.156 17868
548 1 24 . 1 1 7 7 LEU N N 7 122.700 122.700 124.796 -2.096 17868
549 1 24 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.972 0.318 17868
550 1 24 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.740 -0.490 17868
551 1 24 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.404 0.786 17868
552 1 24 . 1 1 7 7 LEU H H 7 8.310 8.310 8.506 -0.196 17868
553 1 25 . 1 1 3 3 THR N N 3 113.800 113.800 113.486 0.314 17868
554 1 25 . 1 1 3 3 THR HA H 3 4.440 4.440 4.370 0.070 17868
555 1 25 . 1 1 3 3 THR CA C 3 61.570 61.570 62.348 -0.778 17868
556 1 25 . 1 1 3 3 THR CB C 3 69.820 69.820 68.659 1.161 17868
557 1 25 . 1 1 3 3 THR H H 3 8.310 8.310 8.058 0.252 17868
558 1 25 . 1 1 4 4 THR N N 4 116.300 116.300 119.558 -3.258 17868
559 1 25 . 1 1 4 4 THR HA H 4 4.420 4.420 4.405 0.015 17868
560 1 25 . 1 1 4 4 THR CA C 4 61.530 61.530 62.125 -0.595 17868
561 1 25 . 1 1 4 4 THR CB C 4 69.950 69.950 67.076 2.874 17868
562 1 25 . 1 1 4 4 THR H H 4 8.140 8.140 8.126 0.014 17868
563 1 25 . 1 1 5 5 THR N N 5 119.300 119.300 115.839 3.461 17868
564 1 25 . 1 1 5 5 THR HA H 5 4.610 4.610 4.034 0.576 17868
565 1 25 . 1 1 5 5 THR CA C 5 59.790 59.790 61.995 -2.205 17868
566 1 25 . 1 1 5 5 THR CB C 5 69.830 69.830 68.036 1.794 17868
567 1 25 . 1 1 5 5 THR H H 5 8.220 8.220 7.946 0.274 17868
568 1 25 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.471 -0.071 17868
569 1 25 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.752 0.428 17868
570 1 25 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.308 0.852 17868
571 1 25 . 1 1 7 7 LEU N N 7 122.700 122.700 124.393 -1.693 17868
572 1 25 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.022 0.268 17868
573 1 25 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.454 -0.204 17868
574 1 25 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.759 -0.569 17868
575 1 25 . 1 1 7 7 LEU H H 7 8.310 8.310 8.201 0.109 17868
576 1 26 . 1 1 3 3 THR N N 3 113.800 113.800 117.739 -3.939 17868
577 1 26 . 1 1 3 3 THR HA H 3 4.440 4.440 4.299 0.141 17868
578 1 26 . 1 1 3 3 THR CA C 3 61.570 61.570 62.478 -0.908 17868
579 1 26 . 1 1 3 3 THR CB C 3 69.820 69.820 69.644 0.176 17868
580 1 26 . 1 1 3 3 THR H H 3 8.310 8.310 8.133 0.177 17868
581 1 26 . 1 1 4 4 THR N N 4 116.300 116.300 115.727 0.573 17868
582 1 26 . 1 1 4 4 THR HA H 4 4.420 4.420 4.444 -0.024 17868
583 1 26 . 1 1 4 4 THR CA C 4 61.530 61.530 61.342 0.188 17868
584 1 26 . 1 1 4 4 THR CB C 4 69.950 69.950 69.474 0.476 17868
585 1 26 . 1 1 4 4 THR H H 4 8.140 8.140 8.242 -0.102 17868
586 1 26 . 1 1 5 5 THR N N 5 119.300 119.300 113.601 5.699 17868
587 1 26 . 1 1 5 5 THR HA H 5 4.610 4.610 4.488 0.122 17868
588 1 26 . 1 1 5 5 THR CA C 5 59.790 59.790 61.808 -2.018 17868
589 1 26 . 1 1 5 5 THR CB C 5 69.830 69.830 68.702 1.128 17868
590 1 26 . 1 1 5 5 THR H H 5 8.220 8.220 8.481 -0.261 17868
591 1 26 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.659 -0.259 17868
592 1 26 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.742 0.438 17868
593 1 26 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.464 -0.304 17868
594 1 26 . 1 1 7 7 LEU N N 7 122.700 122.700 115.712 6.988 17868
595 1 26 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.709 -0.419 17868
596 1 26 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.797 0.453 17868
597 1 26 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.627 -0.437 17868
598 1 26 . 1 1 7 7 LEU H H 7 8.310 8.310 8.073 0.237 17868
599 1 27 . 1 1 3 3 THR N N 3 113.800 113.800 114.574 -0.774 17868
600 1 27 . 1 1 3 3 THR HA H 3 4.440 4.440 4.058 0.382 17868
601 1 27 . 1 1 3 3 THR CA C 3 61.570 61.570 62.728 -1.158 17868
602 1 27 . 1 1 3 3 THR CB C 3 69.820 69.820 68.578 1.242 17868
603 1 27 . 1 1 3 3 THR H H 3 8.310 8.310 8.226 0.084 17868
604 1 27 . 1 1 4 4 THR N N 4 116.300 116.300 118.946 -2.646 17868
605 1 27 . 1 1 4 4 THR HA H 4 4.420 4.420 4.506 -0.086 17868
606 1 27 . 1 1 4 4 THR CA C 4 61.530 61.530 62.443 -0.913 17868
607 1 27 . 1 1 4 4 THR CB C 4 69.950 69.950 70.147 -0.197 17868
608 1 27 . 1 1 4 4 THR H H 4 8.140 8.140 8.123 0.017 17868
609 1 27 . 1 1 5 5 THR N N 5 119.300 119.300 120.441 -1.141 17868
610 1 27 . 1 1 5 5 THR HA H 5 4.610 4.610 4.601 0.009 17868
611 1 27 . 1 1 5 5 THR CA C 5 59.790 59.790 61.251 -1.461 17868
612 1 27 . 1 1 5 5 THR CB C 5 69.830 69.830 69.544 0.286 17868
613 1 27 . 1 1 5 5 THR H H 5 8.220 8.220 8.217 0.003 17868
614 1 27 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.653 -0.253 17868
615 1 27 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.571 0.609 17868
616 1 27 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.463 -0.303 17868
617 1 27 . 1 1 7 7 LEU N N 7 122.700 122.700 122.401 0.299 17868
618 1 27 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.596 -0.306 17868
619 1 27 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.213 0.037 17868
620 1 27 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.476 -0.286 17868
621 1 27 . 1 1 7 7 LEU H H 7 8.310 8.310 8.417 -0.107 17868
622 1 28 . 1 1 3 3 THR N N 3 113.800 113.800 117.702 -3.902 17868
623 1 28 . 1 1 3 3 THR HA H 3 4.440 4.440 4.515 -0.075 17868
624 1 28 . 1 1 3 3 THR CA C 3 61.570 61.570 62.976 -1.406 17868
625 1 28 . 1 1 3 3 THR CB C 3 69.820 69.820 69.747 0.073 17868
626 1 28 . 1 1 3 3 THR H H 3 8.310 8.310 8.261 0.049 17868
627 1 28 . 1 1 4 4 THR N N 4 116.300 116.300 117.717 -1.417 17868
628 1 28 . 1 1 4 4 THR HA H 4 4.420 4.420 4.474 -0.054 17868
629 1 28 . 1 1 4 4 THR CA C 4 61.530 61.530 61.631 -0.101 17868
630 1 28 . 1 1 4 4 THR CB C 4 69.950 69.950 69.176 0.774 17868
631 1 28 . 1 1 4 4 THR H H 4 8.140 8.140 8.038 0.102 17868
632 1 28 . 1 1 5 5 THR N N 5 119.300 119.300 115.784 3.516 17868
633 1 28 . 1 1 5 5 THR HA H 5 4.610 4.610 4.703 -0.093 17868
634 1 28 . 1 1 5 5 THR CA C 5 59.790 59.790 60.422 -0.632 17868
635 1 28 . 1 1 5 5 THR CB C 5 69.830 69.830 69.192 0.638 17868
636 1 28 . 1 1 5 5 THR H H 5 8.220 8.220 7.603 0.617 17868
637 1 28 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.562 -0.162 17868
638 1 28 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.437 0.743 17868
639 1 28 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.193 -0.033 17868
640 1 28 . 1 1 7 7 LEU N N 7 122.700 122.700 121.367 1.333 17868
641 1 28 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.560 -0.270 17868
642 1 28 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.351 0.899 17868
643 1 28 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.153 0.037 17868
644 1 28 . 1 1 7 7 LEU H H 7 8.310 8.310 8.415 -0.105 17868
645 1 29 . 1 1 3 3 THR N N 3 113.800 113.800 115.008 -1.208 17868
646 1 29 . 1 1 3 3 THR HA H 3 4.440 4.440 4.323 0.117 17868
647 1 29 . 1 1 3 3 THR CA C 3 61.570 61.570 61.987 -0.417 17868
648 1 29 . 1 1 3 3 THR CB C 3 69.820 69.820 69.878 -0.058 17868
649 1 29 . 1 1 3 3 THR H H 3 8.310 8.310 8.228 0.082 17868
650 1 29 . 1 1 4 4 THR N N 4 116.300 116.300 120.703 -4.403 17868
651 1 29 . 1 1 4 4 THR HA H 4 4.420 4.420 4.443 -0.023 17868
652 1 29 . 1 1 4 4 THR CA C 4 61.530 61.530 62.384 -0.854 17868
653 1 29 . 1 1 4 4 THR CB C 4 69.950 69.950 69.170 0.780 17868
654 1 29 . 1 1 4 4 THR H H 4 8.140 8.140 8.325 -0.185 17868
655 1 29 . 1 1 5 5 THR N N 5 119.300 119.300 122.309 -3.009 17868
656 1 29 . 1 1 5 5 THR HA H 5 4.610 4.610 4.670 -0.060 17868
657 1 29 . 1 1 5 5 THR CA C 5 59.790 59.790 60.619 -0.829 17868
658 1 29 . 1 1 5 5 THR CB C 5 69.830 69.830 68.734 1.095 17868
659 1 29 . 1 1 5 5 THR H H 5 8.220 8.220 8.175 0.045 17868
660 1 29 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.583 -0.183 17868
661 1 29 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.205 0.975 17868
662 1 29 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.184 -0.024 17868
663 1 29 . 1 1 7 7 LEU N N 7 122.700 122.700 122.928 -0.228 17868
664 1 29 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.506 -0.216 17868
665 1 29 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.186 1.064 17868
666 1 29 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.283 1.907 17868
667 1 29 . 1 1 7 7 LEU H H 7 8.310 8.310 8.275 0.035 17868
668 1 30 . 1 1 3 3 THR N N 3 113.800 113.800 117.386 -3.586 17868
669 1 30 . 1 1 3 3 THR HA H 3 4.440 4.440 4.488 -0.048 17868
670 1 30 . 1 1 3 3 THR CA C 3 61.570 61.570 61.254 0.316 17868
671 1 30 . 1 1 3 3 THR CB C 3 69.820 69.820 69.043 0.777 17868
672 1 30 . 1 1 3 3 THR H H 3 8.310 8.310 8.014 0.296 17868
673 1 30 . 1 1 4 4 THR N N 4 116.300 116.300 123.606 -7.306 17868
674 1 30 . 1 1 4 4 THR HA H 4 4.420 4.420 4.413 0.007 17868
675 1 30 . 1 1 4 4 THR CA C 4 61.530 61.530 60.519 1.012 17868
676 1 30 . 1 1 4 4 THR CB C 4 69.950 69.950 68.004 1.946 17868
677 1 30 . 1 1 4 4 THR H H 4 8.140 8.140 8.598 -0.458 17868
678 1 30 . 1 1 5 5 THR N N 5 119.300 119.300 117.283 2.017 17868
679 1 30 . 1 1 5 5 THR HA H 5 4.610 4.610 4.090 0.520 17868
680 1 30 . 1 1 5 5 THR CA C 5 59.790 59.790 62.314 -2.524 17868
681 1 30 . 1 1 5 5 THR CB C 5 69.830 69.830 67.595 2.235 17868
682 1 30 . 1 1 5 5 THR H H 5 8.220 8.220 7.710 0.510 17868
683 1 30 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.556 -0.156 17868
684 1 30 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.545 0.635 17868
685 1 30 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.274 -0.114 17868
686 1 30 . 1 1 7 7 LEU N N 7 122.700 122.700 123.202 -0.502 17868
687 1 30 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.306 -0.016 17868
688 1 30 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.414 -1.164 17868
689 1 30 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.336 -0.146 17868
690 1 30 . 1 1 7 7 LEU H H 7 8.310 8.310 8.352 -0.042 17868
691 1 31 . 1 1 3 3 THR N N 3 113.800 113.800 113.876 -0.076 17868
692 1 31 . 1 1 3 3 THR HA H 3 4.440 4.440 4.302 0.138 17868
693 1 31 . 1 1 3 3 THR CA C 3 61.570 61.570 63.068 -1.498 17868
694 1 31 . 1 1 3 3 THR CB C 3 69.820 69.820 69.341 0.479 17868
695 1 31 . 1 1 3 3 THR H H 3 8.310 8.310 8.124 0.186 17868
696 1 31 . 1 1 4 4 THR N N 4 116.300 116.300 115.276 1.024 17868
697 1 31 . 1 1 4 4 THR HA H 4 4.420 4.420 4.562 -0.142 17868
698 1 31 . 1 1 4 4 THR CA C 4 61.530 61.530 61.110 0.420 17868
699 1 31 . 1 1 4 4 THR CB C 4 69.950 69.950 69.650 0.300 17868
700 1 31 . 1 1 4 4 THR H H 4 8.140 8.140 7.588 0.552 17868
701 1 31 . 1 1 5 5 THR N N 5 119.300 119.300 114.589 4.711 17868
702 1 31 . 1 1 5 5 THR HA H 5 4.610 4.610 4.601 0.009 17868
703 1 31 . 1 1 5 5 THR CA C 5 59.790 59.790 60.058 -0.268 17868
704 1 31 . 1 1 5 5 THR CB C 5 69.830 69.830 69.392 0.438 17868
705 1 31 . 1 1 5 5 THR H H 5 8.220 8.220 8.040 0.180 17868
706 1 31 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.493 -0.093 17868
707 1 31 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.705 0.475 17868
708 1 31 . 1 1 6 6 PRO CB C 6 32.160 32.160 30.989 1.171 17868
709 1 31 . 1 1 7 7 LEU N N 7 122.700 122.700 126.029 -3.329 17868
710 1 31 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.953 0.337 17868
711 1 31 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.704 -0.454 17868
712 1 31 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.212 0.978 17868
713 1 31 . 1 1 7 7 LEU H H 7 8.310 8.310 8.525 -0.215 17868
714 1 32 . 1 1 3 3 THR N N 3 113.800 113.800 117.451 -3.651 17868
715 1 32 . 1 1 3 3 THR HA H 3 4.440 4.440 4.578 -0.138 17868
716 1 32 . 1 1 3 3 THR CA C 3 61.570 61.570 62.596 -1.026 17868
717 1 32 . 1 1 3 3 THR CB C 3 69.820 69.820 69.914 -0.094 17868
718 1 32 . 1 1 3 3 THR H H 3 8.310 8.310 8.185 0.125 17868
719 1 32 . 1 1 4 4 THR N N 4 116.300 116.300 119.172 -2.872 17868
720 1 32 . 1 1 4 4 THR HA H 4 4.420 4.420 4.492 -0.072 17868
721 1 32 . 1 1 4 4 THR CA C 4 61.530 61.530 61.418 0.112 17868
722 1 32 . 1 1 4 4 THR CB C 4 69.950 69.950 69.630 0.320 17868
723 1 32 . 1 1 4 4 THR H H 4 8.140 8.140 8.323 -0.183 17868
724 1 32 . 1 1 5 5 THR N N 5 119.300 119.300 116.798 2.502 17868
725 1 32 . 1 1 5 5 THR HA H 5 4.610 4.610 4.705 -0.095 17868
726 1 32 . 1 1 5 5 THR CA C 5 59.790 59.790 60.755 -0.965 17868
727 1 32 . 1 1 5 5 THR CB C 5 69.830 69.830 69.112 0.718 17868
728 1 32 . 1 1 5 5 THR H H 5 8.220 8.220 7.654 0.566 17868
729 1 32 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.694 -0.294 17868
730 1 32 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.642 0.538 17868
731 1 32 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.239 -0.079 17868
732 1 32 . 1 1 7 7 LEU N N 7 122.700 122.700 119.492 3.208 17868
733 1 32 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.570 -0.280 17868
734 1 32 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.632 0.619 17868
735 1 32 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.392 -0.202 17868
736 1 32 . 1 1 7 7 LEU H H 7 8.310 8.310 8.607 -0.297 17868
737 1 33 . 1 1 3 3 THR N N 3 113.800 113.800 114.920 -1.120 17868
738 1 33 . 1 1 3 3 THR HA H 3 4.440 4.440 4.551 -0.111 17868
739 1 33 . 1 1 3 3 THR CA C 3 61.570 61.570 62.043 -0.473 17868
740 1 33 . 1 1 3 3 THR CB C 3 69.820 69.820 69.985 -0.165 17868
741 1 33 . 1 1 3 3 THR H H 3 8.310 8.310 8.194 0.116 17868
742 1 33 . 1 1 4 4 THR N N 4 116.300 116.300 119.111 -2.811 17868
743 1 33 . 1 1 4 4 THR HA H 4 4.420 4.420 4.413 0.007 17868
744 1 33 . 1 1 4 4 THR CA C 4 61.530 61.530 61.397 0.133 17868
745 1 33 . 1 1 4 4 THR CB C 4 69.950 69.950 69.737 0.213 17868
746 1 33 . 1 1 4 4 THR H H 4 8.140 8.140 8.454 -0.314 17868
747 1 33 . 1 1 5 5 THR N N 5 119.300 119.300 116.403 2.897 17868
748 1 33 . 1 1 5 5 THR HA H 5 4.610 4.610 4.488 0.122 17868
749 1 33 . 1 1 5 5 THR CA C 5 59.790 59.790 60.271 -0.481 17868
750 1 33 . 1 1 5 5 THR CB C 5 69.830 69.830 69.469 0.361 17868
751 1 33 . 1 1 5 5 THR H H 5 8.220 8.220 8.216 0.004 17868
752 1 33 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.460 -0.060 17868
753 1 33 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.135 0.045 17868
754 1 33 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.080 0.080 17868
755 1 33 . 1 1 7 7 LEU N N 7 122.700 122.700 118.772 3.928 17868
756 1 33 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.406 -0.116 17868
757 1 33 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.778 0.472 17868
758 1 33 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.566 0.624 17868
759 1 33 . 1 1 7 7 LEU H H 7 8.310 8.310 7.993 0.317 17868
760 1 34 . 1 1 3 3 THR N N 3 113.800 113.800 114.659 -0.859 17868
761 1 34 . 1 1 3 3 THR HA H 3 4.440 4.440 4.770 -0.330 17868
762 1 34 . 1 1 3 3 THR CA C 3 61.570 61.570 61.795 -0.225 17868
763 1 34 . 1 1 3 3 THR CB C 3 69.820 69.820 69.880 -0.060 17868
764 1 34 . 1 1 3 3 THR H H 3 8.310 8.310 8.292 0.018 17868
765 1 34 . 1 1 4 4 THR N N 4 116.300 116.300 123.786 -7.486 17868
766 1 34 . 1 1 4 4 THR HA H 4 4.420 4.420 4.439 -0.019 17868
767 1 34 . 1 1 4 4 THR CA C 4 61.530 61.530 61.720 -0.190 17868
768 1 34 . 1 1 4 4 THR CB C 4 69.950 69.950 68.558 1.392 17868
769 1 34 . 1 1 4 4 THR H H 4 8.140 8.140 8.376 -0.236 17868
770 1 34 . 1 1 5 5 THR N N 5 119.300 119.300 114.964 4.336 17868
771 1 34 . 1 1 5 5 THR HA H 5 4.610 4.610 3.950 0.660 17868
772 1 34 . 1 1 5 5 THR CA C 5 59.790 59.790 61.882 -2.092 17868
773 1 34 . 1 1 5 5 THR CB C 5 69.830 69.830 68.165 1.665 17868
774 1 34 . 1 1 5 5 THR H H 5 8.220 8.220 7.624 0.596 17868
775 1 34 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.573 -0.173 17868
776 1 34 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.447 0.733 17868
777 1 34 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.396 -0.236 17868
778 1 34 . 1 1 7 7 LEU N N 7 122.700 122.700 118.390 4.310 17868
779 1 34 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.412 -0.122 17868
780 1 34 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.405 -0.155 17868
781 1 34 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.371 0.819 17868
782 1 34 . 1 1 7 7 LEU H H 7 8.310 8.310 8.207 0.103 17868
783 1 35 . 1 1 3 3 THR N N 3 113.800 113.800 115.026 -1.226 17868
784 1 35 . 1 1 3 3 THR HA H 3 4.440 4.440 4.412 0.028 17868
785 1 35 . 1 1 3 3 THR CA C 3 61.570 61.570 62.087 -0.517 17868
786 1 35 . 1 1 3 3 THR CB C 3 69.820 69.820 68.380 1.440 17868
787 1 35 . 1 1 3 3 THR H H 3 8.310 8.310 8.285 0.025 17868
788 1 35 . 1 1 4 4 THR N N 4 116.300 116.300 117.495 -1.195 17868
789 1 35 . 1 1 4 4 THR HA H 4 4.420 4.420 4.493 -0.073 17868
790 1 35 . 1 1 4 4 THR CA C 4 61.530 61.530 62.329 -0.799 17868
791 1 35 . 1 1 4 4 THR CB C 4 69.950 69.950 68.159 1.791 17868
792 1 35 . 1 1 4 4 THR H H 4 8.140 8.140 8.193 -0.053 17868
793 1 35 . 1 1 5 5 THR N N 5 119.300 119.300 118.083 1.217 17868
794 1 35 . 1 1 5 5 THR HA H 5 4.610 4.610 4.539 0.071 17868
795 1 35 . 1 1 5 5 THR CA C 5 59.790 59.790 60.374 -0.584 17868
796 1 35 . 1 1 5 5 THR CB C 5 69.830 69.830 69.283 0.547 17868
797 1 35 . 1 1 5 5 THR H H 5 8.220 8.220 7.494 0.726 17868
798 1 35 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.390 0.010 17868
799 1 35 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.049 0.131 17868
800 1 35 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.800 -0.640 17868
801 1 35 . 1 1 7 7 LEU N N 7 122.700 122.700 121.100 1.600 17868
802 1 35 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.296 -0.006 17868
803 1 35 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.550 -1.300 17868
804 1 35 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.045 0.145 17868
805 1 35 . 1 1 7 7 LEU H H 7 8.310 8.310 8.379 -0.069 17868
806 1 36 . 1 1 3 3 THR N N 3 113.800 113.800 115.604 -1.804 17868
807 1 36 . 1 1 3 3 THR HA H 3 4.440 4.440 4.545 -0.105 17868
808 1 36 . 1 1 3 3 THR CA C 3 61.570 61.570 62.253 -0.683 17868
809 1 36 . 1 1 3 3 THR CB C 3 69.820 69.820 70.061 -0.241 17868
810 1 36 . 1 1 3 3 THR H H 3 8.310 8.310 8.345 -0.035 17868
811 1 36 . 1 1 4 4 THR N N 4 116.300 116.300 118.770 -2.470 17868
812 1 36 . 1 1 4 4 THR HA H 4 4.420 4.420 4.505 -0.085 17868
813 1 36 . 1 1 4 4 THR CA C 4 61.530 61.530 61.878 -0.348 17868
814 1 36 . 1 1 4 4 THR CB C 4 69.950 69.950 68.363 1.587 17868
815 1 36 . 1 1 4 4 THR H H 4 8.140 8.140 8.539 -0.399 17868
816 1 36 . 1 1 5 5 THR N N 5 119.300 119.300 117.631 1.669 17868
817 1 36 . 1 1 5 5 THR HA H 5 4.610 4.610 4.605 0.005 17868
818 1 36 . 1 1 5 5 THR CA C 5 59.790 59.790 59.562 0.228 17868
819 1 36 . 1 1 5 5 THR CB C 5 69.830 69.830 69.817 0.013 17868
820 1 36 . 1 1 5 5 THR H H 5 8.220 8.220 7.642 0.578 17868
821 1 36 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.703 -0.303 17868
822 1 36 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.061 0.119 17868
823 1 36 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.245 -0.085 17868
824 1 36 . 1 1 7 7 LEU N N 7 122.700 122.700 122.858 -0.158 17868
825 1 36 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.497 -0.207 17868
826 1 36 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.704 0.546 17868
827 1 36 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.390 -0.200 17868
828 1 36 . 1 1 7 7 LEU H H 7 8.310 8.310 8.099 0.211 17868
829 1 37 . 1 1 3 3 THR N N 3 113.800 113.800 114.870 -1.070 17868
830 1 37 . 1 1 3 3 THR HA H 3 4.440 4.440 4.907 -0.467 17868
831 1 37 . 1 1 3 3 THR CA C 3 61.570 61.570 61.826 -0.256 17868
832 1 37 . 1 1 3 3 THR CB C 3 69.820 69.820 70.694 -0.874 17868
833 1 37 . 1 1 3 3 THR H H 3 8.310 8.310 8.297 0.013 17868
834 1 37 . 1 1 4 4 THR N N 4 116.300 116.300 116.182 0.118 17868
835 1 37 . 1 1 4 4 THR HA H 4 4.420 4.420 4.449 -0.029 17868
836 1 37 . 1 1 4 4 THR CA C 4 61.530 61.530 61.950 -0.420 17868
837 1 37 . 1 1 4 4 THR CB C 4 69.950 69.950 69.461 0.489 17868
838 1 37 . 1 1 4 4 THR H H 4 8.140 8.140 8.217 -0.077 17868
839 1 37 . 1 1 5 5 THR N N 5 119.300 119.300 113.637 5.663 17868
840 1 37 . 1 1 5 5 THR HA H 5 4.610 4.610 4.069 0.541 17868
841 1 37 . 1 1 5 5 THR CA C 5 59.790 59.790 61.983 -2.193 17868
842 1 37 . 1 1 5 5 THR CB C 5 69.830 69.830 68.124 1.706 17868
843 1 37 . 1 1 5 5 THR H H 5 8.220 8.220 8.014 0.206 17868
844 1 37 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.550 -0.150 17868
845 1 37 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.075 0.105 17868
846 1 37 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.520 0.640 17868
847 1 37 . 1 1 7 7 LEU N N 7 122.700 122.700 125.846 -3.146 17868
848 1 37 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.653 -0.363 17868
849 1 37 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.698 0.552 17868
850 1 37 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.130 -0.940 17868
851 1 37 . 1 1 7 7 LEU H H 7 8.310 8.310 8.075 0.235 17868
852 1 38 . 1 1 3 3 THR N N 3 113.800 113.800 116.681 -2.881 17868
853 1 38 . 1 1 3 3 THR HA H 3 4.440 4.440 4.066 0.374 17868
854 1 38 . 1 1 3 3 THR CA C 3 61.570 61.570 62.765 -1.195 17868
855 1 38 . 1 1 3 3 THR CB C 3 69.820 69.820 69.190 0.630 17868
856 1 38 . 1 1 3 3 THR H H 3 8.310 8.310 8.149 0.161 17868
857 1 38 . 1 1 4 4 THR N N 4 116.300 116.300 117.888 -1.588 17868
858 1 38 . 1 1 4 4 THR HA H 4 4.420 4.420 4.398 0.022 17868
859 1 38 . 1 1 4 4 THR CA C 4 61.530 61.530 62.410 -0.880 17868
860 1 38 . 1 1 4 4 THR CB C 4 69.950 69.950 70.039 -0.089 17868
861 1 38 . 1 1 4 4 THR H H 4 8.140 8.140 8.143 -0.003 17868
862 1 38 . 1 1 5 5 THR N N 5 119.300 119.300 121.764 -2.464 17868
863 1 38 . 1 1 5 5 THR HA H 5 4.610 4.610 4.624 -0.014 17868
864 1 38 . 1 1 5 5 THR CA C 5 59.790 59.790 61.279 -1.490 17868
865 1 38 . 1 1 5 5 THR CB C 5 69.830 69.830 68.797 1.033 17868
866 1 38 . 1 1 5 5 THR H H 5 8.220 8.220 8.427 -0.207 17868
867 1 38 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.766 -0.366 17868
868 1 38 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.330 0.850 17868
869 1 38 . 1 1 6 6 PRO CB C 6 32.160 32.160 33.321 -1.161 17868
870 1 38 . 1 1 7 7 LEU N N 7 122.700 122.700 119.354 3.346 17868
871 1 38 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.411 -0.121 17868
872 1 38 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.140 0.110 17868
873 1 38 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.040 0.150 17868
874 1 38 . 1 1 7 7 LEU H H 7 8.310 8.310 8.414 -0.104 17868
875 1 39 . 1 1 3 3 THR N N 3 113.800 113.800 114.857 -1.057 17868
876 1 39 . 1 1 3 3 THR HA H 3 4.440 4.440 4.352 0.088 17868
877 1 39 . 1 1 3 3 THR CA C 3 61.570 61.570 62.270 -0.700 17868
878 1 39 . 1 1 3 3 THR CB C 3 69.820 69.820 69.389 0.430 17868
879 1 39 . 1 1 3 3 THR H H 3 8.310 8.310 8.113 0.197 17868
880 1 39 . 1 1 4 4 THR N N 4 116.300 116.300 114.515 1.785 17868
881 1 39 . 1 1 4 4 THR HA H 4 4.420 4.420 4.660 -0.240 17868
882 1 39 . 1 1 4 4 THR CA C 4 61.530 61.530 62.504 -0.974 17868
883 1 39 . 1 1 4 4 THR CB C 4 69.950 69.950 70.489 -0.539 17868
884 1 39 . 1 1 4 4 THR H H 4 8.140 8.140 8.274 -0.134 17868
885 1 39 . 1 1 5 5 THR N N 5 119.300 119.300 116.542 2.758 17868
886 1 39 . 1 1 5 5 THR HA H 5 4.610 4.610 4.475 0.135 17868
887 1 39 . 1 1 5 5 THR CA C 5 59.790 59.790 62.359 -2.569 17868
888 1 39 . 1 1 5 5 THR CB C 5 69.830 69.830 68.368 1.462 17868
889 1 39 . 1 1 5 5 THR H H 5 8.220 8.220 8.280 -0.060 17868
890 1 39 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.517 -0.117 17868
891 1 39 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.884 0.296 17868
892 1 39 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.974 0.186 17868
893 1 39 . 1 1 7 7 LEU N N 7 122.700 122.700 119.544 3.156 17868
894 1 39 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.603 -0.313 17868
895 1 39 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.586 0.664 17868
896 1 39 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.417 -0.227 17868
897 1 39 . 1 1 7 7 LEU H H 7 8.310 8.310 8.209 0.101 17868
898 1 40 . 1 1 3 3 THR N N 3 113.800 113.800 115.586 -1.786 17868
899 1 40 . 1 1 3 3 THR HA H 3 4.440 4.440 4.527 -0.087 17868
900 1 40 . 1 1 3 3 THR CA C 3 61.570 61.570 62.115 -0.545 17868
901 1 40 . 1 1 3 3 THR CB C 3 69.820 69.820 70.364 -0.544 17868
902 1 40 . 1 1 3 3 THR H H 3 8.310 8.310 8.092 0.218 17868
903 1 40 . 1 1 4 4 THR N N 4 116.300 116.300 118.104 -1.804 17868
904 1 40 . 1 1 4 4 THR HA H 4 4.420 4.420 4.551 -0.131 17868
905 1 40 . 1 1 4 4 THR CA C 4 61.530 61.530 61.638 -0.108 17868
906 1 40 . 1 1 4 4 THR CB C 4 69.950 69.950 69.718 0.232 17868
907 1 40 . 1 1 4 4 THR H H 4 8.140 8.140 8.594 -0.454 17868
908 1 40 . 1 1 5 5 THR N N 5 119.300 119.300 113.682 5.618 17868
909 1 40 . 1 1 5 5 THR HA H 5 4.610 4.610 4.583 0.027 17868
910 1 40 . 1 1 5 5 THR CA C 5 59.790 59.790 59.450 0.340 17868
911 1 40 . 1 1 5 5 THR CB C 5 69.830 69.830 69.628 0.202 17868
912 1 40 . 1 1 5 5 THR H H 5 8.220 8.220 7.980 0.240 17868
913 1 40 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.328 0.072 17868
914 1 40 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.863 0.317 17868
915 1 40 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.140 0.020 17868
916 1 40 . 1 1 7 7 LEU N N 7 122.700 122.700 120.200 2.500 17868
917 1 40 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.223 0.067 17868
918 1 40 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.660 -0.409 17868
919 1 40 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.067 0.123 17868
920 1 40 . 1 1 7 7 LEU H H 7 8.310 8.310 8.229 0.081 17868
921 1 41 . 1 1 3 3 THR N N 3 113.800 113.800 113.187 0.613 17868
922 1 41 . 1 1 3 3 THR HA H 3 4.440 4.440 4.461 -0.021 17868
923 1 41 . 1 1 3 3 THR CA C 3 61.570 61.570 62.524 -0.954 17868
924 1 41 . 1 1 3 3 THR CB C 3 69.820 69.820 69.602 0.218 17868
925 1 41 . 1 1 3 3 THR H H 3 8.310 8.310 8.336 -0.026 17868
926 1 41 . 1 1 4 4 THR N N 4 116.300 116.300 115.014 1.286 17868
927 1 41 . 1 1 4 4 THR HA H 4 4.420 4.420 4.474 -0.054 17868
928 1 41 . 1 1 4 4 THR CA C 4 61.530 61.530 61.577 -0.047 17868
929 1 41 . 1 1 4 4 THR CB C 4 69.950 69.950 70.071 -0.121 17868
930 1 41 . 1 1 4 4 THR H H 4 8.140 8.140 7.659 0.481 17868
931 1 41 . 1 1 5 5 THR N N 5 119.300 119.300 115.834 3.466 17868
932 1 41 . 1 1 5 5 THR HA H 5 4.610 4.610 4.307 0.303 17868
933 1 41 . 1 1 5 5 THR CA C 5 59.790 59.790 62.087 -2.297 17868
934 1 41 . 1 1 5 5 THR CB C 5 69.830 69.830 68.192 1.638 17868
935 1 41 . 1 1 5 5 THR H H 5 8.220 8.220 8.339 -0.119 17868
936 1 41 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.635 -0.235 17868
937 1 41 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.475 0.705 17868
938 1 41 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.449 -0.289 17868
939 1 41 . 1 1 7 7 LEU N N 7 122.700 122.700 119.333 3.367 17868
940 1 41 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.563 -0.273 17868
941 1 41 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.635 -1.385 17868
942 1 41 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.892 0.298 17868
943 1 41 . 1 1 7 7 LEU H H 7 8.310 8.310 8.455 -0.145 17868
944 1 42 . 1 1 3 3 THR N N 3 113.800 113.800 117.808 -4.008 17868
945 1 42 . 1 1 3 3 THR HA H 3 4.440 4.440 4.573 -0.133 17868
946 1 42 . 1 1 3 3 THR CA C 3 61.570 61.570 62.366 -0.796 17868
947 1 42 . 1 1 3 3 THR CB C 3 69.820 69.820 69.777 0.043 17868
948 1 42 . 1 1 3 3 THR H H 3 8.310 8.310 8.130 0.180 17868
949 1 42 . 1 1 4 4 THR N N 4 116.300 116.300 116.350 -0.050 17868
950 1 42 . 1 1 4 4 THR HA H 4 4.420 4.420 4.554 -0.134 17868
951 1 42 . 1 1 4 4 THR CA C 4 61.530 61.530 62.499 -0.969 17868
952 1 42 . 1 1 4 4 THR CB C 4 69.950 69.950 69.465 0.485 17868
953 1 42 . 1 1 4 4 THR H H 4 8.140 8.140 8.139 0.001 17868
954 1 42 . 1 1 5 5 THR N N 5 119.300 119.300 114.216 5.084 17868
955 1 42 . 1 1 5 5 THR HA H 5 4.610 4.610 4.564 0.046 17868
956 1 42 . 1 1 5 5 THR CA C 5 59.790 59.790 60.427 -0.637 17868
957 1 42 . 1 1 5 5 THR CB C 5 69.830 69.830 69.139 0.690 17868
958 1 42 . 1 1 5 5 THR H H 5 8.220 8.220 7.633 0.587 17868
959 1 42 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.608 -0.208 17868
960 1 42 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.689 0.491 17868
961 1 42 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.832 -0.672 17868
962 1 42 . 1 1 7 7 LEU N N 7 122.700 122.700 122.283 0.417 17868
963 1 42 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.520 -0.230 17868
964 1 42 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.329 -1.079 17868
965 1 42 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.672 -0.482 17868
966 1 42 . 1 1 7 7 LEU H H 7 8.310 8.310 8.357 -0.047 17868
967 1 43 . 1 1 3 3 THR N N 3 113.800 113.800 112.973 0.827 17868
968 1 43 . 1 1 3 3 THR HA H 3 4.440 4.440 4.123 0.317 17868
969 1 43 . 1 1 3 3 THR CA C 3 61.570 61.570 63.048 -1.478 17868
970 1 43 . 1 1 3 3 THR CB C 3 69.820 69.820 68.072 1.748 17868
971 1 43 . 1 1 3 3 THR H H 3 8.310 8.310 8.329 -0.019 17868
972 1 43 . 1 1 4 4 THR N N 4 116.300 116.300 115.734 0.566 17868
973 1 43 . 1 1 4 4 THR HA H 4 4.420 4.420 4.471 -0.051 17868
974 1 43 . 1 1 4 4 THR CA C 4 61.530 61.530 62.324 -0.794 17868
975 1 43 . 1 1 4 4 THR CB C 4 69.950 69.950 69.517 0.433 17868
976 1 43 . 1 1 4 4 THR H H 4 8.140 8.140 7.795 0.345 17868
977 1 43 . 1 1 5 5 THR N N 5 119.300 119.300 118.754 0.546 17868
978 1 43 . 1 1 5 5 THR HA H 5 4.610 4.610 4.740 -0.130 17868
979 1 43 . 1 1 5 5 THR CA C 5 59.790 59.790 59.230 0.560 17868
980 1 43 . 1 1 5 5 THR CB C 5 69.830 69.830 69.350 0.480 17868
981 1 43 . 1 1 5 5 THR H H 5 8.220 8.220 8.298 -0.078 17868
982 1 43 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.543 -0.143 17868
983 1 43 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.715 0.465 17868
984 1 43 . 1 1 6 6 PRO CB C 6 32.160 32.160 30.319 1.841 17868
985 1 43 . 1 1 7 7 LEU N N 7 122.700 122.700 116.900 5.800 17868
986 1 43 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.965 0.325 17868
987 1 43 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.923 -0.673 17868
988 1 43 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.627 1.563 17868
989 1 43 . 1 1 7 7 LEU H H 7 8.310 8.310 7.751 0.559 17868
990 1 44 . 1 1 3 3 THR N N 3 113.800 113.800 116.049 -2.249 17868
991 1 44 . 1 1 3 3 THR HA H 3 4.440 4.440 4.560 -0.120 17868
992 1 44 . 1 1 3 3 THR CA C 3 61.570 61.570 62.686 -1.116 17868
993 1 44 . 1 1 3 3 THR CB C 3 69.820 69.820 69.816 0.004 17868
994 1 44 . 1 1 3 3 THR H H 3 8.310 8.310 8.153 0.157 17868
995 1 44 . 1 1 4 4 THR N N 4 116.300 116.300 118.643 -2.343 17868
996 1 44 . 1 1 4 4 THR HA H 4 4.420 4.420 4.573 -0.153 17868
997 1 44 . 1 1 4 4 THR CA C 4 61.530 61.530 61.568 -0.038 17868
998 1 44 . 1 1 4 4 THR CB C 4 69.950 69.950 70.633 -0.683 17868
999 1 44 . 1 1 4 4 THR H H 4 8.140 8.140 7.997 0.143 17868
1000 1 44 . 1 1 5 5 THR N N 5 119.300 119.300 114.306 4.994 17868
1001 1 44 . 1 1 5 5 THR HA H 5 4.610 4.610 4.167 0.443 17868
1002 1 44 . 1 1 5 5 THR CA C 5 59.790 59.790 62.128 -2.338 17868
1003 1 44 . 1 1 5 5 THR CB C 5 69.830 69.830 67.756 2.074 17868
1004 1 44 . 1 1 5 5 THR H H 5 8.220 8.220 8.086 0.134 17868
1005 1 44 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.266 0.134 17868
1006 1 44 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.608 -0.428 17868
1007 1 44 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.442 0.718 17868
1008 1 44 . 1 1 7 7 LEU N N 7 122.700 122.700 118.920 3.780 17868
1009 1 44 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.599 -0.309 17868
1010 1 44 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.418 0.832 17868
1011 1 44 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.578 -0.388 17868
1012 1 44 . 1 1 7 7 LEU H H 7 8.310 8.310 7.767 0.543 17868
1013 1 45 . 1 1 3 3 THR N N 3 113.800 113.800 114.504 -0.704 17868
1014 1 45 . 1 1 3 3 THR HA H 3 4.440 4.440 4.497 -0.057 17868
1015 1 45 . 1 1 3 3 THR CA C 3 61.570 61.570 60.763 0.807 17868
1016 1 45 . 1 1 3 3 THR CB C 3 69.820 69.820 70.284 -0.465 17868
1017 1 45 . 1 1 3 3 THR H H 3 8.310 8.310 8.039 0.271 17868
1018 1 45 . 1 1 4 4 THR N N 4 116.300 116.300 118.594 -2.294 17868
1019 1 45 . 1 1 4 4 THR HA H 4 4.420 4.420 4.480 -0.060 17868
1020 1 45 . 1 1 4 4 THR CA C 4 61.530 61.530 62.653 -1.123 17868
1021 1 45 . 1 1 4 4 THR CB C 4 69.950 69.950 69.187 0.763 17868
1022 1 45 . 1 1 4 4 THR H H 4 8.140 8.140 8.353 -0.213 17868
1023 1 45 . 1 1 5 5 THR N N 5 119.300 119.300 117.572 1.728 17868
1024 1 45 . 1 1 5 5 THR HA H 5 4.610 4.610 4.093 0.517 17868
1025 1 45 . 1 1 5 5 THR CA C 5 59.790 59.790 62.109 -2.319 17868
1026 1 45 . 1 1 5 5 THR CB C 5 69.830 69.830 67.412 2.418 17868
1027 1 45 . 1 1 5 5 THR H H 5 8.220 8.220 8.427 -0.207 17868
1028 1 45 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.464 -0.064 17868
1029 1 45 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.406 -0.226 17868
1030 1 45 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.163 0.997 17868
1031 1 45 . 1 1 7 7 LEU N N 7 122.700 122.700 125.781 -3.081 17868
1032 1 45 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.377 -0.087 17868
1033 1 45 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.208 0.042 17868
1034 1 45 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.243 -1.053 17868
1035 1 45 . 1 1 7 7 LEU H H 7 8.310 8.310 8.004 0.306 17868
1036 1 46 . 1 1 3 3 THR N N 3 113.800 113.800 116.661 -2.861 17868
1037 1 46 . 1 1 3 3 THR HA H 3 4.440 4.440 4.208 0.232 17868
1038 1 46 . 1 1 3 3 THR CA C 3 61.570 61.570 62.239 -0.669 17868
1039 1 46 . 1 1 3 3 THR CB C 3 69.820 69.820 68.884 0.936 17868
1040 1 46 . 1 1 3 3 THR H H 3 8.310 8.310 8.356 -0.046 17868
1041 1 46 . 1 1 4 4 THR N N 4 116.300 116.300 111.379 4.921 17868
1042 1 46 . 1 1 4 4 THR HA H 4 4.420 4.420 4.503 -0.083 17868
1043 1 46 . 1 1 4 4 THR CA C 4 61.530 61.530 62.095 -0.565 17868
1044 1 46 . 1 1 4 4 THR CB C 4 69.950 69.950 69.871 0.079 17868
1045 1 46 . 1 1 4 4 THR H H 4 8.140 8.140 8.132 0.008 17868
1046 1 46 . 1 1 5 5 THR N N 5 119.300 119.300 114.533 4.767 17868
1047 1 46 . 1 1 5 5 THR HA H 5 4.610 4.610 4.411 0.199 17868
1048 1 46 . 1 1 5 5 THR CA C 5 59.790 59.790 61.785 -1.995 17868
1049 1 46 . 1 1 5 5 THR CB C 5 69.830 69.830 67.710 2.120 17868
1050 1 46 . 1 1 5 5 THR H H 5 8.220 8.220 7.843 0.377 17868
1051 1 46 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.490 -0.090 17868
1052 1 46 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.043 0.137 17868
1053 1 46 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.070 0.090 17868
1054 1 46 . 1 1 7 7 LEU N N 7 122.700 122.700 121.320 1.380 17868
1055 1 46 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.790 -0.500 17868
1056 1 46 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.413 0.837 17868
1057 1 46 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.209 -1.019 17868
1058 1 46 . 1 1 7 7 LEU H H 7 8.310 8.310 8.223 0.087 17868
1059 1 47 . 1 1 3 3 THR N N 3 113.800 113.800 112.456 1.344 17868
1060 1 47 . 1 1 3 3 THR HA H 3 4.440 4.440 4.431 0.009 17868
1061 1 47 . 1 1 3 3 THR CA C 3 61.570 61.570 62.045 -0.475 17868
1062 1 47 . 1 1 3 3 THR CB C 3 69.820 69.820 69.817 0.003 17868
1063 1 47 . 1 1 3 3 THR H H 3 8.310 8.310 7.877 0.433 17868
1064 1 47 . 1 1 4 4 THR N N 4 116.300 116.300 117.377 -1.077 17868
1065 1 47 . 1 1 4 4 THR HA H 4 4.420 4.420 4.577 -0.157 17868
1066 1 47 . 1 1 4 4 THR CA C 4 61.530 61.530 61.878 -0.348 17868
1067 1 47 . 1 1 4 4 THR CB C 4 69.950 69.950 70.585 -0.636 17868
1068 1 47 . 1 1 4 4 THR H H 4 8.140 8.140 7.874 0.266 17868
1069 1 47 . 1 1 5 5 THR N N 5 119.300 119.300 119.576 -0.276 17868
1070 1 47 . 1 1 5 5 THR HA H 5 4.610 4.610 4.638 -0.028 17868
1071 1 47 . 1 1 5 5 THR CA C 5 59.790 59.790 59.986 -0.196 17868
1072 1 47 . 1 1 5 5 THR CB C 5 69.830 69.830 69.660 0.170 17868
1073 1 47 . 1 1 5 5 THR H H 5 8.220 8.220 8.305 -0.085 17868
1074 1 47 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.584 -0.184 17868
1075 1 47 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.997 0.183 17868
1076 1 47 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.300 -0.140 17868
1077 1 47 . 1 1 7 7 LEU N N 7 122.700 122.700 122.962 -0.262 17868
1078 1 47 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.309 -0.019 17868
1079 1 47 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.738 -0.488 17868
1080 1 47 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.133 0.057 17868
1081 1 47 . 1 1 7 7 LEU H H 7 8.310 8.310 8.578 -0.268 17868
1082 1 48 . 1 1 3 3 THR N N 3 113.800 113.800 113.723 0.077 17868
1083 1 48 . 1 1 3 3 THR HA H 3 4.440 4.440 4.476 -0.036 17868
1084 1 48 . 1 1 3 3 THR CA C 3 61.570 61.570 62.437 -0.867 17868
1085 1 48 . 1 1 3 3 THR CB C 3 69.820 69.820 68.555 1.265 17868
1086 1 48 . 1 1 3 3 THR H H 3 8.310 8.310 8.176 0.134 17868
1087 1 48 . 1 1 4 4 THR N N 4 116.300 116.300 118.440 -2.140 17868
1088 1 48 . 1 1 4 4 THR HA H 4 4.420 4.420 4.654 -0.234 17868
1089 1 48 . 1 1 4 4 THR CA C 4 61.530 61.530 62.484 -0.954 17868
1090 1 48 . 1 1 4 4 THR CB C 4 69.950 69.950 69.677 0.273 17868
1091 1 48 . 1 1 4 4 THR H H 4 8.140 8.140 8.226 -0.086 17868
1092 1 48 . 1 1 5 5 THR N N 5 119.300 119.300 116.649 2.651 17868
1093 1 48 . 1 1 5 5 THR HA H 5 4.610 4.610 4.480 0.130 17868
1094 1 48 . 1 1 5 5 THR CA C 5 59.790 59.790 62.330 -2.540 17868
1095 1 48 . 1 1 5 5 THR CB C 5 69.830 69.830 69.090 0.740 17868
1096 1 48 . 1 1 5 5 THR H H 5 8.220 8.220 8.347 -0.127 17868
1097 1 48 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.527 -0.127 17868
1098 1 48 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.906 0.274 17868
1099 1 48 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.635 0.525 17868
1100 1 48 . 1 1 7 7 LEU N N 7 122.700 122.700 121.761 0.939 17868
1101 1 48 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.001 0.289 17868
1102 1 48 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.618 -0.368 17868
1103 1 48 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.381 -0.191 17868
1104 1 48 . 1 1 7 7 LEU H H 7 8.310 8.310 8.133 0.178 17868
1105 1 49 . 1 1 3 3 THR N N 3 113.800 113.800 117.350 -3.550 17868
1106 1 49 . 1 1 3 3 THR HA H 3 4.440 4.440 4.644 -0.204 17868
1107 1 49 . 1 1 3 3 THR CA C 3 61.570 61.570 62.391 -0.821 17868
1108 1 49 . 1 1 3 3 THR CB C 3 69.820 69.820 69.738 0.082 17868
1109 1 49 . 1 1 3 3 THR H H 3 8.310 8.310 8.118 0.192 17868
1110 1 49 . 1 1 4 4 THR N N 4 116.300 116.300 119.098 -2.798 17868
1111 1 49 . 1 1 4 4 THR HA H 4 4.420 4.420 4.563 -0.143 17868
1112 1 49 . 1 1 4 4 THR CA C 4 61.530 61.530 62.584 -1.054 17868
1113 1 49 . 1 1 4 4 THR CB C 4 69.950 69.950 70.278 -0.328 17868
1114 1 49 . 1 1 4 4 THR H H 4 8.140 8.140 8.279 -0.139 17868
1115 1 49 . 1 1 5 5 THR N N 5 119.300 119.300 120.495 -1.195 17868
1116 1 49 . 1 1 5 5 THR HA H 5 4.610 4.610 4.516 0.094 17868
1117 1 49 . 1 1 5 5 THR CA C 5 59.790 59.790 60.976 -1.186 17868
1118 1 49 . 1 1 5 5 THR CB C 5 69.830 69.830 69.444 0.386 17868
1119 1 49 . 1 1 5 5 THR H H 5 8.220 8.220 8.288 -0.068 17868
1120 1 49 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.551 -0.151 17868
1121 1 49 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.616 0.564 17868
1122 1 49 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.750 0.410 17868
1123 1 49 . 1 1 7 7 LEU N N 7 122.700 122.700 124.870 -2.170 17868
1124 1 49 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.949 0.341 17868
1125 1 49 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.665 -0.415 17868
1126 1 49 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.742 1.448 17868
1127 1 49 . 1 1 7 7 LEU H H 7 8.310 8.310 8.593 -0.283 17868
1128 1 50 . 1 1 3 3 THR N N 3 113.800 113.800 114.943 -1.143 17868
1129 1 50 . 1 1 3 3 THR HA H 3 4.440 4.440 4.327 0.113 17868
1130 1 50 . 1 1 3 3 THR CA C 3 61.570 61.570 62.762 -1.192 17868
1131 1 50 . 1 1 3 3 THR CB C 3 69.820 69.820 68.966 0.854 17868
1132 1 50 . 1 1 3 3 THR H H 3 8.310 8.310 8.232 0.078 17868
1133 1 50 . 1 1 4 4 THR N N 4 116.300 116.300 116.800 -0.500 17868
1134 1 50 . 1 1 4 4 THR HA H 4 4.420 4.420 4.599 -0.179 17868
1135 1 50 . 1 1 4 4 THR CA C 4 61.530 61.530 61.309 0.221 17868
1136 1 50 . 1 1 4 4 THR CB C 4 69.950 69.950 67.491 2.459 17868
1137 1 50 . 1 1 4 4 THR H H 4 8.140 8.140 8.161 -0.021 17868
1138 1 50 . 1 1 5 5 THR N N 5 119.300 119.300 114.982 4.318 17868
1139 1 50 . 1 1 5 5 THR HA H 5 4.610 4.610 4.005 0.605 17868
1140 1 50 . 1 1 5 5 THR CA C 5 59.790 59.790 62.390 -2.600 17868
1141 1 50 . 1 1 5 5 THR CB C 5 69.830 69.830 67.279 2.551 17868
1142 1 50 . 1 1 5 5 THR H H 5 8.220 8.220 7.591 0.629 17868
1143 1 50 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.497 -0.097 17868
1144 1 50 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.915 0.265 17868
1145 1 50 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.197 -0.037 17868
1146 1 50 . 1 1 7 7 LEU N N 7 122.700 122.700 120.105 2.595 17868
1147 1 50 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.605 -0.315 17868
1148 1 50 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.183 0.067 17868
1149 1 50 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.501 -0.311 17868
1150 1 50 . 1 1 7 7 LEU H H 7 8.310 8.310 8.198 0.112 17868
1151 1 51 . 1 1 3 3 THR N N 3 113.800 113.800 115.291 -1.491 17868
1152 1 51 . 1 1 3 3 THR HA H 3 4.440 4.440 4.429 0.011 17868
1153 1 51 . 1 1 3 3 THR CA C 3 61.570 61.570 62.413 -0.843 17868
1154 1 51 . 1 1 3 3 THR CB C 3 69.820 69.820 69.419 0.401 17868
1155 1 51 . 1 1 3 3 THR H H 3 8.310 8.310 8.147 0.163 17868
1156 1 51 . 1 1 4 4 THR N N 4 116.300 116.300 115.001 1.299 17868
1157 1 51 . 1 1 4 4 THR HA H 4 4.420 4.420 4.494 -0.074 17868
1158 1 51 . 1 1 4 4 THR CA C 4 61.530 61.530 61.108 0.422 17868
1159 1 51 . 1 1 4 4 THR CB C 4 69.950 69.950 69.874 0.076 17868
1160 1 51 . 1 1 4 4 THR H H 4 8.140 8.140 8.116 0.024 17868
1161 1 51 . 1 1 5 5 THR N N 5 119.300 119.300 116.253 3.047 17868
1162 1 51 . 1 1 5 5 THR HA H 5 4.610 4.610 4.619 -0.009 17868
1163 1 51 . 1 1 5 5 THR CA C 5 59.790 59.790 60.510 -0.720 17868
1164 1 51 . 1 1 5 5 THR CB C 5 69.830 69.830 69.135 0.695 17868
1165 1 51 . 1 1 5 5 THR H H 5 8.220 8.220 8.103 0.117 17868
1166 1 51 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.621 -0.221 17868
1167 1 51 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.229 -0.049 17868
1168 1 51 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.055 0.105 17868
1169 1 51 . 1 1 7 7 LEU N N 7 122.700 122.700 124.172 -1.472 17868
1170 1 51 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.604 -0.314 17868
1171 1 51 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.665 0.585 17868
1172 1 51 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.772 -1.582 17868
1173 1 51 . 1 1 7 7 LEU H H 7 8.310 8.310 8.074 0.236 17868
1174 1 52 . 1 1 3 3 THR N N 3 113.800 113.800 118.059 -4.259 17868
1175 1 52 . 1 1 3 3 THR HA H 3 4.440 4.440 4.498 -0.058 17868
1176 1 52 . 1 1 3 3 THR CA C 3 61.570 61.570 62.983 -1.413 17868
1177 1 52 . 1 1 3 3 THR CB C 3 69.820 69.820 68.784 1.036 17868
1178 1 52 . 1 1 3 3 THR H H 3 8.310 8.310 8.325 -0.015 17868
1179 1 52 . 1 1 4 4 THR N N 4 116.300 116.300 121.081 -4.781 17868
1180 1 52 . 1 1 4 4 THR HA H 4 4.420 4.420 4.576 -0.156 17868
1181 1 52 . 1 1 4 4 THR CA C 4 61.530 61.530 62.045 -0.515 17868
1182 1 52 . 1 1 4 4 THR CB C 4 69.950 69.950 71.056 -1.106 17868
1183 1 52 . 1 1 4 4 THR H H 4 8.140 8.140 8.643 -0.503 17868
1184 1 52 . 1 1 5 5 THR N N 5 119.300 119.300 117.287 2.013 17868
1185 1 52 . 1 1 5 5 THR HA H 5 4.610 4.610 4.646 -0.036 17868
1186 1 52 . 1 1 5 5 THR CA C 5 59.790 59.790 59.544 0.246 17868
1187 1 52 . 1 1 5 5 THR CB C 5 69.830 69.830 69.573 0.257 17868
1188 1 52 . 1 1 5 5 THR H H 5 8.220 8.220 7.966 0.254 17868
1189 1 52 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.472 -0.072 17868
1190 1 52 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.288 -0.108 17868
1191 1 52 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.447 -0.287 17868
1192 1 52 . 1 1 7 7 LEU N N 7 122.700 122.700 122.376 0.324 17868
1193 1 52 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.378 -0.088 17868
1194 1 52 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.908 -0.658 17868
1195 1 52 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.762 0.428 17868
1196 1 52 . 1 1 7 7 LEU H H 7 8.310 8.310 8.172 0.138 17868
1197 1 53 . 1 1 3 3 THR N N 3 113.800 113.800 117.237 -3.437 17868
1198 1 53 . 1 1 3 3 THR HA H 3 4.440 4.440 4.172 0.268 17868
1199 1 53 . 1 1 3 3 THR CA C 3 61.570 61.570 64.267 -2.697 17868
1200 1 53 . 1 1 3 3 THR CB C 3 69.820 69.820 68.951 0.869 17868
1201 1 53 . 1 1 3 3 THR H H 3 8.310 8.310 8.387 -0.077 17868
1202 1 53 . 1 1 4 4 THR N N 4 116.300 116.300 110.962 5.338 17868
1203 1 53 . 1 1 4 4 THR HA H 4 4.420 4.420 4.398 0.022 17868
1204 1 53 . 1 1 4 4 THR CA C 4 61.530 61.530 60.925 0.605 17868
1205 1 53 . 1 1 4 4 THR CB C 4 69.950 69.950 70.622 -0.672 17868
1206 1 53 . 1 1 4 4 THR H H 4 8.140 8.140 7.493 0.647 17868
1207 1 53 . 1 1 5 5 THR N N 5 119.300 119.300 111.975 7.325 17868
1208 1 53 . 1 1 5 5 THR HA H 5 4.610 4.610 4.223 0.387 17868
1209 1 53 . 1 1 5 5 THR CA C 5 59.790 59.790 62.010 -2.220 17868
1210 1 53 . 1 1 5 5 THR CB C 5 69.830 69.830 68.292 1.538 17868
1211 1 53 . 1 1 5 5 THR H H 5 8.220 8.220 8.148 0.072 17868
1212 1 53 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.519 -0.119 17868
1213 1 53 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.935 0.245 17868
1214 1 53 . 1 1 6 6 PRO CB C 6 32.160 32.160 30.923 1.237 17868
1215 1 53 . 1 1 7 7 LEU N N 7 122.700 122.700 120.588 2.112 17868
1216 1 53 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.553 -0.263 17868
1217 1 53 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.347 0.902 17868
1218 1 53 . 1 1 7 7 LEU CB C 7 42.190 42.190 44.693 -2.503 17868
1219 1 53 . 1 1 7 7 LEU H H 7 8.310 8.310 7.307 1.003 17868
1220 1 54 . 1 1 3 3 THR N N 3 113.800 113.800 112.559 1.241 17868
1221 1 54 . 1 1 3 3 THR HA H 3 4.440 4.440 4.566 -0.126 17868
1222 1 54 . 1 1 3 3 THR CA C 3 61.570 61.570 62.454 -0.884 17868
1223 1 54 . 1 1 3 3 THR CB C 3 69.820 69.820 69.687 0.133 17868
1224 1 54 . 1 1 3 3 THR H H 3 8.310 8.310 8.151 0.159 17868
1225 1 54 . 1 1 4 4 THR N N 4 116.300 116.300 116.446 -0.146 17868
1226 1 54 . 1 1 4 4 THR HA H 4 4.420 4.420 4.608 -0.188 17868
1227 1 54 . 1 1 4 4 THR CA C 4 61.530 61.530 61.549 -0.019 17868
1228 1 54 . 1 1 4 4 THR CB C 4 69.950 69.950 70.004 -0.054 17868
1229 1 54 . 1 1 4 4 THR H H 4 8.140 8.140 7.621 0.519 17868
1230 1 54 . 1 1 5 5 THR N N 5 119.300 119.300 119.827 -0.527 17868
1231 1 54 . 1 1 5 5 THR HA H 5 4.610 4.610 4.710 -0.100 17868
1232 1 54 . 1 1 5 5 THR CA C 5 59.790 59.790 60.878 -1.088 17868
1233 1 54 . 1 1 5 5 THR CB C 5 69.830 69.830 68.547 1.283 17868
1234 1 54 . 1 1 5 5 THR H H 5 8.220 8.220 7.986 0.234 17868
1235 1 54 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.651 -0.251 17868
1236 1 54 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.717 0.463 17868
1237 1 54 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.209 -0.049 17868
1238 1 54 . 1 1 7 7 LEU N N 7 122.700 122.700 118.487 4.213 17868
1239 1 54 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.611 -0.321 17868
1240 1 54 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.739 0.511 17868
1241 1 54 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.417 -0.227 17868
1242 1 54 . 1 1 7 7 LEU H H 7 8.310 8.310 8.177 0.133 17868
1243 1 55 . 1 1 3 3 THR N N 3 113.800 113.800 117.254 -3.454 17868
1244 1 55 . 1 1 3 3 THR HA H 3 4.440 4.440 4.346 0.094 17868
1245 1 55 . 1 1 3 3 THR CA C 3 61.570 61.570 62.670 -1.100 17868
1246 1 55 . 1 1 3 3 THR CB C 3 69.820 69.820 69.030 0.790 17868
1247 1 55 . 1 1 3 3 THR H H 3 8.310 8.310 8.232 0.078 17868
1248 1 55 . 1 1 4 4 THR N N 4 116.300 116.300 118.492 -2.192 17868
1249 1 55 . 1 1 4 4 THR HA H 4 4.420 4.420 4.618 -0.198 17868
1250 1 55 . 1 1 4 4 THR CA C 4 61.530 61.530 61.300 0.230 17868
1251 1 55 . 1 1 4 4 THR CB C 4 69.950 69.950 70.472 -0.521 17868
1252 1 55 . 1 1 4 4 THR H H 4 8.140 8.140 8.484 -0.344 17868
1253 1 55 . 1 1 5 5 THR N N 5 119.300 119.300 113.458 5.842 17868
1254 1 55 . 1 1 5 5 THR HA H 5 4.610 4.610 4.595 0.015 17868
1255 1 55 . 1 1 5 5 THR CA C 5 59.790 59.790 60.812 -1.022 17868
1256 1 55 . 1 1 5 5 THR CB C 5 69.830 69.830 68.620 1.210 17868
1257 1 55 . 1 1 5 5 THR H H 5 8.220 8.220 8.123 0.097 17868
1258 1 55 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.526 -0.126 17868
1259 1 55 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.159 1.021 17868
1260 1 55 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.196 -0.036 17868
1261 1 55 . 1 1 7 7 LEU N N 7 122.700 122.700 118.115 4.585 17868
1262 1 55 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.100 0.190 17868
1263 1 55 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.096 0.154 17868
1264 1 55 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.998 1.192 17868
1265 1 55 . 1 1 7 7 LEU H H 7 8.310 8.310 8.199 0.111 17868
1266 1 56 . 1 1 3 3 THR N N 3 113.800 113.800 115.450 -1.650 17868
1267 1 56 . 1 1 3 3 THR HA H 3 4.440 4.440 4.259 0.181 17868
1268 1 56 . 1 1 3 3 THR CA C 3 61.570 61.570 62.724 -1.154 17868
1269 1 56 . 1 1 3 3 THR CB C 3 69.820 69.820 69.935 -0.115 17868
1270 1 56 . 1 1 3 3 THR H H 3 8.310 8.310 8.084 0.226 17868
1271 1 56 . 1 1 4 4 THR N N 4 116.300 116.300 118.834 -2.534 17868
1272 1 56 . 1 1 4 4 THR HA H 4 4.420 4.420 4.450 -0.030 17868
1273 1 56 . 1 1 4 4 THR CA C 4 61.530 61.530 61.223 0.307 17868
1274 1 56 . 1 1 4 4 THR CB C 4 69.950 69.950 68.508 1.442 17868
1275 1 56 . 1 1 4 4 THR H H 4 8.140 8.140 8.417 -0.277 17868
1276 1 56 . 1 1 5 5 THR N N 5 119.300 119.300 114.388 4.912 17868
1277 1 56 . 1 1 5 5 THR HA H 5 4.610 4.610 4.017 0.593 17868
1278 1 56 . 1 1 5 5 THR CA C 5 59.790 59.790 62.505 -2.715 17868
1279 1 56 . 1 1 5 5 THR CB C 5 69.830 69.830 67.741 2.089 17868
1280 1 56 . 1 1 5 5 THR H H 5 8.220 8.220 7.579 0.641 17868
1281 1 56 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.268 0.132 17868
1282 1 56 . 1 1 6 6 PRO CA C 6 63.180 63.180 64.011 -0.831 17868
1283 1 56 . 1 1 6 6 PRO CB C 6 32.160 32.160 31.728 0.432 17868
1284 1 56 . 1 1 7 7 LEU N N 7 122.700 122.700 121.838 0.862 17868
1285 1 56 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.710 -0.420 17868
1286 1 56 . 1 1 7 7 LEU CA C 7 55.250 55.250 53.754 1.496 17868
1287 1 56 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.884 0.306 17868
1288 1 56 . 1 1 7 7 LEU H H 7 8.310 8.310 7.861 0.449 17868
1289 1 57 . 1 1 3 3 THR N N 3 113.800 113.800 115.178 -1.378 17868
1290 1 57 . 1 1 3 3 THR HA H 3 4.440 4.440 4.611 -0.171 17868
1291 1 57 . 1 1 3 3 THR CA C 3 61.570 61.570 62.743 -1.173 17868
1292 1 57 . 1 1 3 3 THR CB C 3 69.820 69.820 69.989 -0.169 17868
1293 1 57 . 1 1 3 3 THR H H 3 8.310 8.310 7.994 0.316 17868
1294 1 57 . 1 1 4 4 THR N N 4 116.300 116.300 118.459 -2.159 17868
1295 1 57 . 1 1 4 4 THR HA H 4 4.420 4.420 4.480 -0.060 17868
1296 1 57 . 1 1 4 4 THR CA C 4 61.530 61.530 62.404 -0.874 17868
1297 1 57 . 1 1 4 4 THR CB C 4 69.950 69.950 70.024 -0.074 17868
1298 1 57 . 1 1 4 4 THR H H 4 8.140 8.140 8.209 -0.069 17868
1299 1 57 . 1 1 5 5 THR N N 5 119.300 119.300 119.605 -0.305 17868
1300 1 57 . 1 1 5 5 THR HA H 5 4.610 4.610 4.046 0.564 17868
1301 1 57 . 1 1 5 5 THR CA C 5 59.790 59.790 62.184 -2.394 17868
1302 1 57 . 1 1 5 5 THR CB C 5 69.830 69.830 68.078 1.752 17868
1303 1 57 . 1 1 5 5 THR H H 5 8.220 8.220 8.521 -0.301 17868
1304 1 57 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.213 0.187 17868
1305 1 57 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.359 0.821 17868
1306 1 57 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.323 -0.163 17868
1307 1 57 . 1 1 7 7 LEU N N 7 122.700 122.700 122.431 0.269 17868
1308 1 57 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.069 0.221 17868
1309 1 57 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.997 -0.747 17868
1310 1 57 . 1 1 7 7 LEU CB C 7 42.190 42.190 40.337 1.853 17868
1311 1 57 . 1 1 7 7 LEU H H 7 8.310 8.310 8.217 0.093 17868
1312 1 58 . 1 1 3 3 THR N N 3 113.800 113.800 121.195 -7.395 17868
1313 1 58 . 1 1 3 3 THR HA H 3 4.440 4.440 4.428 0.012 17868
1314 1 58 . 1 1 3 3 THR CA C 3 61.570 61.570 63.205 -1.635 17868
1315 1 58 . 1 1 3 3 THR CB C 3 69.820 69.820 68.760 1.060 17868
1316 1 58 . 1 1 3 3 THR H H 3 8.310 8.310 8.496 -0.186 17868
1317 1 58 . 1 1 4 4 THR N N 4 116.300 116.300 120.014 -3.714 17868
1318 1 58 . 1 1 4 4 THR HA H 4 4.420 4.420 4.517 -0.097 17868
1319 1 58 . 1 1 4 4 THR CA C 4 61.530 61.530 61.548 -0.018 17868
1320 1 58 . 1 1 4 4 THR CB C 4 69.950 69.950 69.561 0.389 17868
1321 1 58 . 1 1 4 4 THR H H 4 8.140 8.140 8.131 0.009 17868
1322 1 58 . 1 1 5 5 THR N N 5 119.300 119.300 114.709 4.591 17868
1323 1 58 . 1 1 5 5 THR HA H 5 4.610 4.610 4.169 0.441 17868
1324 1 58 . 1 1 5 5 THR CA C 5 59.790 59.790 62.094 -2.304 17868
1325 1 58 . 1 1 5 5 THR CB C 5 69.830 69.830 67.814 2.016 17868
1326 1 58 . 1 1 5 5 THR H H 5 8.220 8.220 8.151 0.069 17868
1327 1 58 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.304 0.096 17868
1328 1 58 . 1 1 6 6 PRO CA C 6 63.180 63.180 63.263 -0.083 17868
1329 1 58 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.142 0.018 17868
1330 1 58 . 1 1 7 7 LEU N N 7 122.700 122.700 121.403 1.297 17868
1331 1 58 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.268 0.022 17868
1332 1 58 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.464 -1.214 17868
1333 1 58 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.967 0.223 17868
1334 1 58 . 1 1 7 7 LEU H H 7 8.310 8.310 8.313 -0.003 17868
1335 1 59 . 1 1 3 3 THR N N 3 113.800 113.800 115.395 -1.595 17868
1336 1 59 . 1 1 3 3 THR HA H 3 4.440 4.440 4.497 -0.057 17868
1337 1 59 . 1 1 3 3 THR CA C 3 61.570 61.570 62.676 -1.106 17868
1338 1 59 . 1 1 3 3 THR CB C 3 69.820 69.820 69.413 0.407 17868
1339 1 59 . 1 1 3 3 THR H H 3 8.310 8.310 7.707 0.603 17868
1340 1 59 . 1 1 4 4 THR N N 4 116.300 116.300 121.930 -5.630 17868
1341 1 59 . 1 1 4 4 THR HA H 4 4.420 4.420 4.543 -0.123 17868
1342 1 59 . 1 1 4 4 THR CA C 4 61.530 61.530 61.916 -0.386 17868
1343 1 59 . 1 1 4 4 THR CB C 4 69.950 69.950 70.145 -0.195 17868
1344 1 59 . 1 1 4 4 THR H H 4 8.140 8.140 8.229 -0.089 17868
1345 1 59 . 1 1 5 5 THR N N 5 119.300 119.300 119.736 -0.436 17868
1346 1 59 . 1 1 5 5 THR HA H 5 4.610 4.610 4.129 0.481 17868
1347 1 59 . 1 1 5 5 THR CA C 5 59.790 59.790 62.363 -2.573 17868
1348 1 59 . 1 1 5 5 THR CB C 5 69.830 69.830 68.590 1.240 17868
1349 1 59 . 1 1 5 5 THR H H 5 8.220 8.220 8.274 -0.054 17868
1350 1 59 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.448 -0.048 17868
1351 1 59 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.297 0.883 17868
1352 1 59 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.379 -0.219 17868
1353 1 59 . 1 1 7 7 LEU N N 7 122.700 122.700 125.108 -2.408 17868
1354 1 59 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.529 -0.239 17868
1355 1 59 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.561 0.689 17868
1356 1 59 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.041 1.149 17868
1357 1 59 . 1 1 7 7 LEU H H 7 8.310 8.310 8.372 -0.062 17868
1358 1 60 . 1 1 3 3 THR N N 3 113.800 113.800 115.427 -1.627 17868
1359 1 60 . 1 1 3 3 THR HA H 3 4.440 4.440 4.309 0.131 17868
1360 1 60 . 1 1 3 3 THR CA C 3 61.570 61.570 62.274 -0.704 17868
1361 1 60 . 1 1 3 3 THR CB C 3 69.820 69.820 70.572 -0.752 17868
1362 1 60 . 1 1 3 3 THR H H 3 8.310 8.310 7.807 0.503 17868
1363 1 60 . 1 1 4 4 THR N N 4 116.300 116.300 116.811 -0.511 17868
1364 1 60 . 1 1 4 4 THR HA H 4 4.420 4.420 4.489 -0.069 17868
1365 1 60 . 1 1 4 4 THR CA C 4 61.530 61.530 62.766 -1.236 17868
1366 1 60 . 1 1 4 4 THR CB C 4 69.950 69.950 68.867 1.083 17868
1367 1 60 . 1 1 4 4 THR H H 4 8.140 8.140 8.303 -0.163 17868
1368 1 60 . 1 1 5 5 THR N N 5 119.300 119.300 116.745 2.555 17868
1369 1 60 . 1 1 5 5 THR HA H 5 4.610 4.610 4.591 0.019 17868
1370 1 60 . 1 1 5 5 THR CA C 5 59.790 59.790 60.303 -0.513 17868
1371 1 60 . 1 1 5 5 THR CB C 5 69.830 69.830 69.768 0.062 17868
1372 1 60 . 1 1 5 5 THR H H 5 8.220 8.220 7.522 0.698 17868
1373 1 60 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.513 -0.113 17868
1374 1 60 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.692 0.488 17868
1375 1 60 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.070 0.090 17868
1376 1 60 . 1 1 7 7 LEU N N 7 122.700 122.700 123.288 -0.588 17868
1377 1 60 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.023 0.267 17868
1378 1 60 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.775 -0.525 17868
1379 1 60 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.523 0.667 17868
1380 1 60 . 1 1 7 7 LEU H H 7 8.310 8.310 8.466 -0.156 17868
1381 1 61 . 1 1 3 3 THR N N 3 113.800 113.800 114.210 -0.410 17868
1382 1 61 . 1 1 3 3 THR HA H 3 4.440 4.440 4.575 -0.135 17868
1383 1 61 . 1 1 3 3 THR CA C 3 61.570 61.570 62.315 -0.745 17868
1384 1 61 . 1 1 3 3 THR CB C 3 69.820 69.820 70.455 -0.635 17868
1385 1 61 . 1 1 3 3 THR H H 3 8.310 8.310 8.604 -0.294 17868
1386 1 61 . 1 1 4 4 THR N N 4 116.300 116.300 115.570 0.730 17868
1387 1 61 . 1 1 4 4 THR HA H 4 4.420 4.420 4.321 0.099 17868
1388 1 61 . 1 1 4 4 THR CA C 4 61.530 61.530 62.088 -0.558 17868
1389 1 61 . 1 1 4 4 THR CB C 4 69.950 69.950 69.015 0.935 17868
1390 1 61 . 1 1 4 4 THR H H 4 8.140 8.140 8.124 0.016 17868
1391 1 61 . 1 1 5 5 THR N N 5 119.300 119.300 115.423 3.877 17868
1392 1 61 . 1 1 5 5 THR HA H 5 4.610 4.610 4.208 0.402 17868
1393 1 61 . 1 1 5 5 THR CA C 5 59.790 59.790 61.968 -2.178 17868
1394 1 61 . 1 1 5 5 THR CB C 5 69.830 69.830 68.154 1.676 17868
1395 1 61 . 1 1 5 5 THR H H 5 8.220 8.220 8.236 -0.016 17868
1396 1 61 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.440 -0.040 17868
1397 1 61 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.607 0.573 17868
1398 1 61 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.083 0.077 17868
1399 1 61 . 1 1 7 7 LEU N N 7 122.700 122.700 120.839 1.861 17868
1400 1 61 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.030 0.260 17868
1401 1 61 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.969 0.281 17868
1402 1 61 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.284 -0.094 17868
1403 1 61 . 1 1 7 7 LEU H H 7 8.310 8.310 8.296 0.014 17868
1404 1 62 . 1 1 3 3 THR N N 3 113.800 113.800 115.971 -2.171 17868
1405 1 62 . 1 1 3 3 THR HA H 3 4.440 4.440 4.461 -0.021 17868
1406 1 62 . 1 1 3 3 THR CA C 3 61.570 61.570 61.420 0.150 17868
1407 1 62 . 1 1 3 3 THR CB C 3 69.820 69.820 70.227 -0.407 17868
1408 1 62 . 1 1 3 3 THR H H 3 8.310 8.310 8.042 0.268 17868
1409 1 62 . 1 1 4 4 THR N N 4 116.300 116.300 119.683 -3.383 17868
1410 1 62 . 1 1 4 4 THR HA H 4 4.420 4.420 4.396 0.024 17868
1411 1 62 . 1 1 4 4 THR CA C 4 61.530 61.530 61.274 0.256 17868
1412 1 62 . 1 1 4 4 THR CB C 4 69.950 69.950 67.933 2.017 17868
1413 1 62 . 1 1 4 4 THR H H 4 8.140 8.140 8.542 -0.402 17868
1414 1 62 . 1 1 5 5 THR N N 5 119.300 119.300 119.683 -0.383 17868
1415 1 62 . 1 1 5 5 THR HA H 5 4.610 4.610 4.055 0.555 17868
1416 1 62 . 1 1 5 5 THR CA C 5 59.790 59.790 63.378 -3.588 17868
1417 1 62 . 1 1 5 5 THR CB C 5 69.830 69.830 69.768 0.062 17868
1418 1 62 . 1 1 5 5 THR H H 5 8.220 8.220 7.844 0.376 17868
1419 1 62 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.498 -0.098 17868
1420 1 62 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.742 0.438 17868
1421 1 62 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.426 -0.266 17868
1422 1 62 . 1 1 7 7 LEU N N 7 122.700 122.700 118.888 3.812 17868
1423 1 62 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.561 -0.271 17868
1424 1 62 . 1 1 7 7 LEU CA C 7 55.250 55.250 54.392 0.858 17868
1425 1 62 . 1 1 7 7 LEU CB C 7 42.190 42.190 43.080 -0.890 17868
1426 1 62 . 1 1 7 7 LEU H H 7 8.310 8.310 7.881 0.429 17868
1427 1 63 . 1 1 3 3 THR N N 3 113.800 113.800 115.498 -1.698 17868
1428 1 63 . 1 1 3 3 THR HA H 3 4.440 4.440 4.457 -0.017 17868
1429 1 63 . 1 1 3 3 THR CA C 3 61.570 61.570 61.850 -0.280 17868
1430 1 63 . 1 1 3 3 THR CB C 3 69.820 69.820 68.842 0.978 17868
1431 1 63 . 1 1 3 3 THR H H 3 8.310 8.310 7.839 0.471 17868
1432 1 63 . 1 1 4 4 THR N N 4 116.300 116.300 114.499 1.801 17868
1433 1 63 . 1 1 4 4 THR HA H 4 4.420 4.420 4.432 -0.012 17868
1434 1 63 . 1 1 4 4 THR CA C 4 61.530 61.530 62.006 -0.476 17868
1435 1 63 . 1 1 4 4 THR CB C 4 69.950 69.950 69.030 0.920 17868
1436 1 63 . 1 1 4 4 THR H H 4 8.140 8.140 8.067 0.073 17868
1437 1 63 . 1 1 5 5 THR N N 5 119.300 119.300 116.274 3.026 17868
1438 1 63 . 1 1 5 5 THR HA H 5 4.610 4.610 4.102 0.508 17868
1439 1 63 . 1 1 5 5 THR CA C 5 59.790 59.790 62.140 -2.350 17868
1440 1 63 . 1 1 5 5 THR CB C 5 69.830 69.830 68.424 1.407 17868
1441 1 63 . 1 1 5 5 THR H H 5 8.220 8.220 7.858 0.362 17868
1442 1 63 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.518 -0.118 17868
1443 1 63 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.752 0.428 17868
1444 1 63 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.475 -0.315 17868
1445 1 63 . 1 1 7 7 LEU N N 7 122.700 122.700 120.765 1.935 17868
1446 1 63 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.398 -0.108 17868
1447 1 63 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.078 0.172 17868
1448 1 63 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.634 -0.444 17868
1449 1 63 . 1 1 7 7 LEU H H 7 8.310 8.310 8.445 -0.135 17868
1450 1 64 . 1 1 3 3 THR N N 3 113.800 113.800 115.477 -1.677 17868
1451 1 64 . 1 1 3 3 THR HA H 3 4.440 4.440 4.753 -0.313 17868
1452 1 64 . 1 1 3 3 THR CA C 3 61.570 61.570 61.504 0.066 17868
1453 1 64 . 1 1 3 3 THR CB C 3 69.820 69.820 69.977 -0.157 17868
1454 1 64 . 1 1 3 3 THR H H 3 8.310 8.310 8.106 0.204 17868
1455 1 64 . 1 1 4 4 THR N N 4 116.300 116.300 112.364 3.936 17868
1456 1 64 . 1 1 4 4 THR HA H 4 4.420 4.420 4.413 0.007 17868
1457 1 64 . 1 1 4 4 THR CA C 4 61.530 61.530 61.168 0.362 17868
1458 1 64 . 1 1 4 4 THR CB C 4 69.950 69.950 70.189 -0.239 17868
1459 1 64 . 1 1 4 4 THR H H 4 8.140 8.140 7.961 0.179 17868
1460 1 64 . 1 1 5 5 THR N N 5 119.300 119.300 116.063 3.237 17868
1461 1 64 . 1 1 5 5 THR HA H 5 4.610 4.610 4.259 0.351 17868
1462 1 64 . 1 1 5 5 THR CA C 5 59.790 59.790 62.408 -2.619 17868
1463 1 64 . 1 1 5 5 THR CB C 5 69.830 69.830 67.872 1.958 17868
1464 1 64 . 1 1 5 5 THR H H 5 8.220 8.220 8.432 -0.212 17868
1465 1 64 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.425 -0.025 17868
1466 1 64 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.425 0.755 17868
1467 1 64 . 1 1 6 6 PRO CB C 6 32.160 32.160 30.957 1.203 17868
1468 1 64 . 1 1 7 7 LEU N N 7 122.700 122.700 117.761 4.939 17868
1469 1 64 . 1 1 7 7 LEU HA H 7 4.290 4.290 3.970 0.320 17868
1470 1 64 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.204 -0.954 17868
1471 1 64 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.069 0.121 17868
1472 1 64 . 1 1 7 7 LEU H H 7 8.310 8.310 7.399 0.911 17868
1473 1 65 . 1 1 3 3 THR N N 3 113.800 113.800 119.992 -6.192 17868
1474 1 65 . 1 1 3 3 THR HA H 3 4.440 4.440 4.291 0.149 17868
1475 1 65 . 1 1 3 3 THR CA C 3 61.570 61.570 63.142 -1.572 17868
1476 1 65 . 1 1 3 3 THR CB C 3 69.820 69.820 68.286 1.534 17868
1477 1 65 . 1 1 3 3 THR H H 3 8.310 8.310 8.392 -0.082 17868
1478 1 65 . 1 1 4 4 THR N N 4 116.300 116.300 118.822 -2.522 17868
1479 1 65 . 1 1 4 4 THR HA H 4 4.420 4.420 4.535 -0.115 17868
1480 1 65 . 1 1 4 4 THR CA C 4 61.530 61.530 62.411 -0.881 17868
1481 1 65 . 1 1 4 4 THR CB C 4 69.950 69.950 70.889 -0.939 17868
1482 1 65 . 1 1 4 4 THR H H 4 8.140 8.140 8.194 -0.054 17868
1483 1 65 . 1 1 5 5 THR N N 5 119.300 119.300 120.288 -0.988 17868
1484 1 65 . 1 1 5 5 THR HA H 5 4.610 4.610 4.553 0.057 17868
1485 1 65 . 1 1 5 5 THR CA C 5 59.790 59.790 60.793 -1.003 17868
1486 1 65 . 1 1 5 5 THR CB C 5 69.830 69.830 69.205 0.625 17868
1487 1 65 . 1 1 5 5 THR H H 5 8.220 8.220 8.204 0.016 17868
1488 1 65 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.602 -0.202 17868
1489 1 65 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.328 0.852 17868
1490 1 65 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.554 -0.394 17868
1491 1 65 . 1 1 7 7 LEU N N 7 122.700 122.700 124.403 -1.703 17868
1492 1 65 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.377 -0.087 17868
1493 1 65 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.194 0.056 17868
1494 1 65 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.912 0.278 17868
1495 1 65 . 1 1 7 7 LEU H H 7 8.310 8.310 8.308 0.002 17868
1496 1 66 . 1 1 3 3 THR N N 3 113.800 113.800 117.065 -3.265 17868
1497 1 66 . 1 1 3 3 THR HA H 3 4.440 4.440 4.467 -0.027 17868
1498 1 66 . 1 1 3 3 THR CA C 3 61.570 61.570 62.105 -0.535 17868
1499 1 66 . 1 1 3 3 THR CB C 3 69.820 69.820 69.556 0.264 17868
1500 1 66 . 1 1 3 3 THR H H 3 8.310 8.310 8.352 -0.042 17868
1501 1 66 . 1 1 4 4 THR N N 4 116.300 116.300 116.314 -0.014 17868
1502 1 66 . 1 1 4 4 THR HA H 4 4.420 4.420 4.447 -0.027 17868
1503 1 66 . 1 1 4 4 THR CA C 4 61.530 61.530 61.974 -0.444 17868
1504 1 66 . 1 1 4 4 THR CB C 4 69.950 69.950 71.008 -1.058 17868
1505 1 66 . 1 1 4 4 THR H H 4 8.140 8.140 8.162 -0.022 17868
1506 1 66 . 1 1 5 5 THR N N 5 119.300 119.300 119.035 0.265 17868
1507 1 66 . 1 1 5 5 THR HA H 5 4.610 4.610 4.574 0.036 17868
1508 1 66 . 1 1 5 5 THR CA C 5 59.790 59.790 59.976 -0.186 17868
1509 1 66 . 1 1 5 5 THR CB C 5 69.830 69.830 68.781 1.049 17868
1510 1 66 . 1 1 5 5 THR H H 5 8.220 8.220 8.169 0.051 17868
1511 1 66 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.621 -0.221 17868
1512 1 66 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.569 0.612 17868
1513 1 66 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.879 -0.719 17868
1514 1 66 . 1 1 7 7 LEU N N 7 122.700 122.700 123.411 -0.711 17868
1515 1 66 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.504 -0.214 17868
1516 1 66 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.762 -0.512 17868
1517 1 66 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.483 -0.292 17868
1518 1 66 . 1 1 7 7 LEU H H 7 8.310 8.310 8.320 -0.010 17868
1519 1 67 . 1 1 3 3 THR N N 3 113.800 113.800 115.391 -1.591 17868
1520 1 67 . 1 1 3 3 THR HA H 3 4.440 4.440 4.002 0.438 17868
1521 1 67 . 1 1 3 3 THR CA C 3 61.570 61.570 64.078 -2.508 17868
1522 1 67 . 1 1 3 3 THR CB C 3 69.820 69.820 68.231 1.589 17868
1523 1 67 . 1 1 3 3 THR H H 3 8.310 8.310 8.570 -0.260 17868
1524 1 67 . 1 1 4 4 THR N N 4 116.300 116.300 116.750 -0.450 17868
1525 1 67 . 1 1 4 4 THR HA H 4 4.420 4.420 4.677 -0.257 17868
1526 1 67 . 1 1 4 4 THR CA C 4 61.530 61.530 61.694 -0.164 17868
1527 1 67 . 1 1 4 4 THR CB C 4 69.950 69.950 71.130 -1.180 17868
1528 1 67 . 1 1 4 4 THR H H 4 8.140 8.140 8.259 -0.119 17868
1529 1 67 . 1 1 5 5 THR N N 5 119.300 119.300 113.847 5.453 17868
1530 1 67 . 1 1 5 5 THR HA H 5 4.610 4.610 4.589 0.021 17868
1531 1 67 . 1 1 5 5 THR CA C 5 59.790 59.790 62.578 -2.788 17868
1532 1 67 . 1 1 5 5 THR CB C 5 69.830 69.830 67.976 1.854 17868
1533 1 67 . 1 1 5 5 THR H H 5 8.220 8.220 8.338 -0.118 17868
1534 1 67 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.661 -0.261 17868
1535 1 67 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.328 0.852 17868
1536 1 67 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.509 -0.349 17868
1537 1 67 . 1 1 7 7 LEU N N 7 122.700 122.700 117.184 5.516 17868
1538 1 67 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.128 0.162 17868
1539 1 67 . 1 1 7 7 LEU CA C 7 55.250 55.250 56.544 -1.294 17868
1540 1 67 . 1 1 7 7 LEU CB C 7 42.190 42.190 41.624 0.566 17868
1541 1 67 . 1 1 7 7 LEU H H 7 8.310 8.310 8.198 0.112 17868
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 3.946 0.725 4.479 17868
2 1 1 "Average Difference" HA 5 0.182 0.011 0.204 17868
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17868
4 1 1 "Average Difference" CA 5 1.002 0.289 1.073 17868
5 1 1 "Average Difference" CB 5 0.583 -0.400 0.474 17868
6 1 1 "Average Difference" HN 4 0.161 -0.043 0.179 17868
7 1 2 "Average Difference" N 4 2.412 -1.155 2.445 17868
8 1 2 "Average Difference" HA 5 0.190 0.076 0.195 17868
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17868
10 1 2 "Average Difference" CA 5 0.843 0.256 0.898 17868
11 1 2 "Average Difference" CB 5 0.908 0.158 1.000 17868
12 1 2 "Average Difference" HN 4 0.127 -0.124 0.028 17868
13 1 3 "Average Difference" N 4 1.787 -0.130 2.058 17868
14 1 3 "Average Difference" HA 5 0.177 0.014 0.198 17868
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17868
16 1 3 "Average Difference" CA 5 0.924 0.499 0.869 17868
17 1 3 "Average Difference" CB 5 0.261 -0.138 0.248 17868
18 1 3 "Average Difference" HN 4 0.257 0.073 0.285 17868
19 1 4 "Average Difference" N 4 1.986 0.415 2.242 17868
20 1 4 "Average Difference" HA 5 0.068 0.032 0.067 17868
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17868
22 1 4 "Average Difference" CA 5 0.412 -0.127 0.438 17868
23 1 4 "Average Difference" CB 5 0.870 -0.751 0.491 17868
24 1 4 "Average Difference" HN 4 0.258 -0.149 0.242 17868
25 1 5 "Average Difference" N 4 1.131 0.067 1.303 17868
26 1 5 "Average Difference" HA 5 0.148 0.013 0.165 17868
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17868
28 1 5 "Average Difference" CA 5 2.244 0.943 2.276 17868
29 1 5 "Average Difference" CB 5 1.630 -1.120 1.323 17868
30 1 5 "Average Difference" HN 4 0.536 -0.258 0.542 17868
31 1 6 "Average Difference" N 4 1.066 -0.423 1.130 17868
32 1 6 "Average Difference" HA 5 0.307 0.156 0.295 17868
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17868
34 1 6 "Average Difference" CA 5 1.123 0.373 1.184 17868
35 1 6 "Average Difference" CB 5 0.562 -0.035 0.627 17868
36 1 6 "Average Difference" HN 4 0.287 0.199 0.239 17868
37 1 7 "Average Difference" N 4 5.145 4.164 3.488 17868
38 1 7 "Average Difference" HA 5 0.122 -0.050 0.125 17868
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17868
40 1 7 "Average Difference" CA 5 1.711 1.051 1.510 17868
41 1 7 "Average Difference" CB 5 1.220 -1.027 0.736 17868
42 1 7 "Average Difference" HN 4 0.304 -0.109 0.328 17868
43 1 8 "Average Difference" N 4 3.428 3.076 1.747 17868
44 1 8 "Average Difference" HA 5 0.116 0.095 0.074 17868
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17868
46 1 8 "Average Difference" CA 5 0.839 0.156 0.922 17868
47 1 8 "Average Difference" CB 5 0.616 -0.530 0.350 17868
48 1 8 "Average Difference" HN 4 0.176 0.014 0.203 17868
49 1 9 "Average Difference" N 4 2.146 1.752 1.431 17868
50 1 9 "Average Difference" HA 5 0.185 -0.013 0.206 17868
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17868
52 1 9 "Average Difference" CA 5 0.645 0.056 0.718 17868
53 1 9 "Average Difference" CB 5 0.451 -0.349 0.319 17868
54 1 9 "Average Difference" HN 4 0.206 -0.090 0.214 17868
55 1 10 "Average Difference" N 4 2.741 -0.774 3.036 17868
56 1 10 "Average Difference" HA 5 0.238 -0.042 0.262 17868
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17868
58 1 10 "Average Difference" CA 5 1.164 0.493 1.179 17868
59 1 10 "Average Difference" CB 5 0.682 -0.390 0.625 17868
60 1 10 "Average Difference" HN 4 0.153 -0.022 0.174 17868
61 1 11 "Average Difference" N 4 1.706 0.982 1.611 17868
62 1 11 "Average Difference" HA 5 0.206 -0.096 0.204 17868
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17868
64 1 11 "Average Difference" CA 5 1.378 0.956 1.110 17868
65 1 11 "Average Difference" CB 5 0.816 -0.475 0.742 17868
66 1 11 "Average Difference" HN 4 0.611 -0.311 0.608 17868
67 1 12 "Average Difference" N 4 4.361 0.752 4.960 17868
68 1 12 "Average Difference" HA 5 0.215 -0.062 0.230 17868
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17868
70 1 12 "Average Difference" CA 5 1.193 0.441 1.239 17868
71 1 12 "Average Difference" CB 5 0.925 -0.436 0.913 17868
72 1 12 "Average Difference" HN 4 0.068 -0.013 0.078 17868
73 1 13 "Average Difference" N 4 2.766 -0.106 3.192 17868
74 1 13 "Average Difference" HA 5 0.316 -0.138 0.318 17868
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17868
76 1 13 "Average Difference" CA 5 1.887 1.194 1.634 17868
77 1 13 "Average Difference" CB 5 1.081 -0.891 0.684 17868
78 1 13 "Average Difference" HN 4 0.479 -0.146 0.527 17868
79 1 14 "Average Difference" N 4 1.892 0.908 1.916 17868
80 1 14 "Average Difference" HA 5 0.083 0.072 0.047 17868
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17868
82 1 14 "Average Difference" CA 5 0.774 0.217 0.831 17868
83 1 14 "Average Difference" CB 5 0.919 -0.583 0.794 17868
84 1 14 "Average Difference" HN 4 0.052 0.016 0.058 17868
85 1 15 "Average Difference" N 4 2.362 2.012 1.429 17868
86 1 15 "Average Difference" HA 5 0.111 0.047 0.112 17868
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17868
88 1 15 "Average Difference" CA 5 1.004 0.500 0.973 17868
89 1 15 "Average Difference" CB 5 0.340 0.015 0.379 17868
90 1 15 "Average Difference" HN 4 0.220 -0.073 0.239 17868
91 1 16 "Average Difference" N 4 4.718 -3.687 3.399 17868
92 1 16 "Average Difference" HA 5 0.330 -0.013 0.369 17868
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17868
94 1 16 "Average Difference" CA 5 1.037 0.133 1.150 17868
95 1 16 "Average Difference" CB 5 1.226 -0.245 1.343 17868
96 1 16 "Average Difference" HN 4 0.258 0.110 0.270 17868
97 1 17 "Average Difference" N 4 1.139 -0.193 1.296 17868
98 1 17 "Average Difference" HA 5 0.285 -0.207 0.218 17868
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17868
100 1 17 "Average Difference" CA 5 1.288 0.857 1.075 17868
101 1 17 "Average Difference" CB 5 1.418 -1.172 0.894 17868
102 1 17 "Average Difference" HN 4 0.356 -0.028 0.410 17868
103 1 18 "Average Difference" N 4 4.041 2.341 3.803 17868
104 1 18 "Average Difference" HA 5 0.178 0.123 0.143 17868
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17868
106 1 18 "Average Difference" CA 5 0.819 0.188 0.891 17868
107 1 18 "Average Difference" CB 5 0.724 -0.087 0.804 17868
108 1 18 "Average Difference" HN 4 0.290 -0.011 0.334 17868
109 1 19 "Average Difference" N 4 2.874 2.682 1.192 17868
110 1 19 "Average Difference" HA 5 0.153 0.106 0.123 17868
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17868
112 1 19 "Average Difference" CA 5 0.511 0.360 0.405 17868
113 1 19 "Average Difference" CB 5 0.915 -0.264 0.980 17868
114 1 19 "Average Difference" HN 4 0.194 0.030 0.222 17868
115 1 20 "Average Difference" N 4 3.270 -2.770 2.006 17868
116 1 20 "Average Difference" HA 5 0.302 0.286 0.108 17868
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17868
118 1 20 "Average Difference" CA 5 0.566 0.002 0.633 17868
119 1 20 "Average Difference" CB 5 1.075 0.653 0.955 17868
120 1 20 "Average Difference" HN 4 0.245 0.056 0.275 17868
121 1 21 "Average Difference" N 4 1.383 0.032 1.597 17868
122 1 21 "Average Difference" HA 5 0.129 0.004 0.144 17868
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17868
124 1 21 "Average Difference" CA 5 0.841 0.624 0.630 17868
125 1 21 "Average Difference" CB 5 0.589 -0.221 0.611 17868
126 1 21 "Average Difference" HN 4 0.342 -0.142 0.359 17868
127 1 22 "Average Difference" N 4 4.665 -3.784 3.150 17868
128 1 22 "Average Difference" HA 5 0.293 -0.051 0.322 17868
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 17868
130 1 22 "Average Difference" CA 5 1.264 0.374 1.350 17868
131 1 22 "Average Difference" CB 5 0.984 -0.613 0.860 17868
132 1 22 "Average Difference" HN 4 0.206 -0.174 0.129 17868
133 1 23 "Average Difference" N 4 2.715 1.226 2.797 17868
134 1 23 "Average Difference" HA 5 0.181 -0.061 0.190 17868
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 17868
136 1 23 "Average Difference" CA 5 1.077 0.596 1.003 17868
137 1 23 "Average Difference" CB 5 0.973 -0.829 0.568 17868
138 1 23 "Average Difference" HN 4 0.378 -0.069 0.429 17868
139 1 24 "Average Difference" N 4 2.018 0.130 2.326 17868
140 1 24 "Average Difference" HA 5 0.184 -0.100 0.172 17868
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 17868
142 1 24 "Average Difference" CA 5 0.791 0.254 0.838 17868
143 1 24 "Average Difference" CB 5 0.810 -0.682 0.487 17868
144 1 24 "Average Difference" HN 4 0.199 -0.074 0.213 17868
145 1 25 "Average Difference" N 4 2.528 0.294 2.899 17868
146 1 25 "Average Difference" HA 5 0.288 -0.172 0.258 17868
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 17868
148 1 25 "Average Difference" CA 5 1.100 0.671 0.974 17868
149 1 25 "Average Difference" CB 5 1.666 -1.222 1.265 17868
150 1 25 "Average Difference" HN 4 0.194 -0.162 0.123 17868
151 1 26 "Average Difference" N 4 4.928 -2.330 5.014 17868
152 1 26 "Average Difference" HA 5 0.236 0.088 0.245 17868
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 17868
154 1 26 "Average Difference" CA 5 1.032 0.369 1.078 17868
155 1 26 "Average Difference" CB 5 0.602 -0.208 0.632 17868
156 1 26 "Average Difference" HN 4 0.204 -0.013 0.235 17868
157 1 27 "Average Difference" N 4 1.499 1.065 1.218 17868
158 1 27 "Average Difference" HA 5 0.250 0.051 0.273 17868
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 17868
160 1 27 "Average Difference" CA 5 0.968 0.577 0.868 17868
161 1 27 "Average Difference" CB 5 0.606 -0.148 0.657 17868
162 1 27 "Average Difference" HN 4 0.069 0.001 0.079 17868
163 1 28 "Average Difference" N 4 2.801 0.117 3.231 17868
164 1 28 "Average Difference" HA 5 0.152 0.131 0.088 17868
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 17868
166 1 28 "Average Difference" CA 5 0.866 0.099 0.961 17868
167 1 28 "Average Difference" CB 5 0.450 -0.298 0.378 17868
168 1 28 "Average Difference" HN 4 0.318 -0.166 0.313 17868
169 1 29 "Average Difference" N 4 2.736 2.212 1.860 17868
170 1 29 "Average Difference" HA 5 0.140 0.073 0.133 17868
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 17868
172 1 29 "Average Difference" CA 5 0.857 0.012 0.958 17868
173 1 29 "Average Difference" CB 5 1.044 -0.740 0.823 17868
174 1 29 "Average Difference" HN 4 0.105 0.006 0.121 17868
175 1 30 "Average Difference" N 4 4.200 2.344 4.024 17868
176 1 30 "Average Difference" HA 5 0.244 -0.061 0.264 17868
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 17868
178 1 30 "Average Difference" CA 5 1.360 0.345 1.471 17868
179 1 30 "Average Difference" CB 5 1.373 -0.939 1.119 17868
180 1 30 "Average Difference" HN 4 0.374 -0.077 0.423 17868
181 1 31 "Average Difference" N 4 2.930 -0.583 3.315 17868
182 1 31 "Average Difference" HA 5 0.180 -0.050 0.193 17868
183 1 31 "Average Difference" C 0 0.000 0.000 0.000 17868
184 1 31 "Average Difference" CA 5 0.765 0.265 0.802 17868
185 1 31 "Average Difference" CB 5 0.753 -0.673 0.378 17868
186 1 31 "Average Difference" HN 4 0.323 -0.176 0.313 17868
187 1 32 "Average Difference" N 4 3.087 0.203 3.557 17868
188 1 32 "Average Difference" HA 5 0.199 0.176 0.104 17868
189 1 32 "Average Difference" C 0 0.000 0.000 0.000 17868
190 1 32 "Average Difference" CA 5 0.731 0.144 0.801 17868
191 1 32 "Average Difference" CB 5 0.367 -0.133 0.383 17868
192 1 32 "Average Difference" HN 4 0.338 -0.053 0.386 17868
193 1 33 "Average Difference" N 4 2.871 -0.724 3.209 17868
194 1 33 "Average Difference" HA 5 0.094 0.031 0.099 17868
195 1 33 "Average Difference" C 0 0.000 0.000 0.000 17868
196 1 33 "Average Difference" CA 5 0.374 0.061 0.412 17868
197 1 33 "Average Difference" CB 5 0.346 -0.223 0.296 17868
198 1 33 "Average Difference" HN 4 0.231 -0.031 0.264 17868
199 1 34 "Average Difference" N 4 4.852 -0.075 5.602 17868
200 1 34 "Average Difference" HA 5 0.343 -0.003 0.384 17868
201 1 34 "Average Difference" C 0 0.000 0.000 0.000 17868
202 1 34 "Average Difference" CA 5 1.002 0.386 1.034 17868
203 1 34 "Average Difference" CB 5 1.043 -0.716 0.848 17868
204 1 34 "Average Difference" HN 4 0.325 -0.120 0.348 17868
205 1 35 "Average Difference" N 4 1.320 -0.099 1.520 17868
206 1 35 "Average Difference" HA 5 0.047 -0.006 0.052 17868
207 1 35 "Average Difference" C 0 0.000 0.000 0.000 17868
208 1 35 "Average Difference" CA 5 0.769 0.614 0.517 17868
209 1 35 "Average Difference" CB 5 1.096 -0.657 0.982 17868
210 1 35 "Average Difference" HN 4 0.366 -0.157 0.381 17868
211 1 36 "Average Difference" N 4 1.744 0.691 1.849 17868
212 1 36 "Average Difference" HA 5 0.175 0.139 0.119 17868
213 1 36 "Average Difference" C 0 0.000 0.000 0.000 17868
214 1 36 "Average Difference" CA 5 0.436 0.028 0.487 17868
215 1 36 "Average Difference" CB 5 0.724 -0.215 0.773 17868
216 1 36 "Average Difference" HN 4 0.367 -0.088 0.411 17868
217 1 37 "Average Difference" N 4 3.284 -0.391 3.764 17868
218 1 37 "Average Difference" HA 5 0.365 0.094 0.395 17868
219 1 37 "Average Difference" C 0 0.000 0.000 0.000 17868
220 1 37 "Average Difference" CA 5 1.036 0.442 1.047 17868
221 1 37 "Average Difference" CB 5 1.020 -0.204 1.118 17868
222 1 37 "Average Difference" HN 4 0.161 -0.094 0.151 17868
223 1 38 "Average Difference" N 4 2.650 0.897 2.879 17868
224 1 38 "Average Difference" HA 5 0.241 0.021 0.268 17868
225 1 38 "Average Difference" C 0 0.000 0.000 0.000 17868
226 1 38 "Average Difference" CA 5 1.015 0.521 0.975 17868
227 1 38 "Average Difference" CB 5 0.754 -0.112 0.834 17868
228 1 38 "Average Difference" HN 4 0.141 0.038 0.157 17868
229 1 39 "Average Difference" N 4 2.338 -1.661 1.901 17868
230 1 39 "Average Difference" HA 5 0.197 0.089 0.197 17868
231 1 39 "Average Difference" C 0 0.000 0.000 0.000 17868
232 1 39 "Average Difference" CA 5 1.309 0.657 1.266 17868
233 1 39 "Average Difference" CB 5 0.735 -0.263 0.767 17868
234 1 39 "Average Difference" HN 4 0.133 -0.026 0.150 17868
235 1 40 "Average Difference" N 4 3.326 -1.132 3.612 17868
236 1 40 "Average Difference" HA 5 0.084 0.010 0.093 17868
237 1 40 "Average Difference" C 0 0.000 0.000 0.000 17868
238 1 40 "Average Difference" CA 5 0.372 0.081 0.406 17868
239 1 40 "Average Difference" CB 5 0.285 -0.007 0.318 17868
240 1 40 "Average Difference" HN 4 0.282 -0.022 0.325 17868
241 1 41 "Average Difference" N 4 2.519 -2.183 1.451 17868
242 1 41 "Average Difference" HA 5 0.212 0.056 0.229 17868
243 1 41 "Average Difference" C 0 0.000 0.000 0.000 17868
244 1 41 "Average Difference" CA 5 1.312 0.795 1.166 17868
245 1 41 "Average Difference" CB 5 0.764 -0.349 0.760 17868
246 1 41 "Average Difference" HN 4 0.259 -0.048 0.294 17868
247 1 42 "Average Difference" N 4 3.244 -0.361 3.722 17868
248 1 42 "Average Difference" HA 5 0.164 0.132 0.109 17868
249 1 42 "Average Difference" C 0 0.000 0.000 0.000 17868
250 1 42 "Average Difference" CA 5 0.823 0.598 0.631 17868
251 1 42 "Average Difference" CB 5 0.529 -0.013 0.591 17868
252 1 42 "Average Difference" HN 4 0.308 -0.180 0.288 17868
253 1 43 "Average Difference" N 4 2.956 -1.935 2.580 17868
254 1 43 "Average Difference" HA 5 0.222 -0.064 0.238 17868
255 1 43 "Average Difference" C 0 0.000 0.000 0.000 17868
256 1 43 "Average Difference" CA 5 0.872 0.384 0.875 17868
257 1 43 "Average Difference" CB 5 1.364 -1.213 0.698 17868
258 1 43 "Average Difference" HN 4 0.331 -0.202 0.303 17868
259 1 44 "Average Difference" N 4 3.528 -1.046 3.890 17868
260 1 44 "Average Difference" HA 5 0.264 0.001 0.295 17868
261 1 44 "Average Difference" C 0 0.000 0.000 0.000 17868
262 1 44 "Average Difference" CA 5 1.232 0.618 1.192 17868
263 1 44 "Average Difference" CB 5 1.043 -0.345 1.100 17868
264 1 44 "Average Difference" HN 4 0.299 -0.244 0.199 17868
265 1 45 "Average Difference" N 4 2.135 1.088 2.122 17868
266 1 45 "Average Difference" HA 5 0.239 -0.050 0.262 17868
267 1 45 "Average Difference" C 0 0.000 0.000 0.000 17868
268 1 45 "Average Difference" CA 5 1.212 0.564 1.199 17868
269 1 45 "Average Difference" CB 5 1.323 -0.532 1.354 17868
270 1 45 "Average Difference" HN 4 0.253 -0.039 0.288 17868
271 1 46 "Average Difference" N 4 3.776 -2.052 3.660 17868
272 1 46 "Average Difference" HA 5 0.268 0.048 0.294 17868
273 1 46 "Average Difference" C 0 0.000 0.000 0.000 17868
274 1 46 "Average Difference" CA 5 1.045 0.451 1.055 17868
275 1 46 "Average Difference" CB 5 1.133 -0.441 1.167 17868
276 1 46 "Average Difference" HN 4 0.195 -0.107 0.189 17868
277 1 47 "Average Difference" N 4 0.882 0.068 1.015 17868
278 1 47 "Average Difference" HA 5 0.109 0.076 0.088 17868
279 1 47 "Average Difference" C 0 0.000 0.000 0.000 17868
280 1 47 "Average Difference" CA 5 0.362 0.265 0.277 17868
281 1 47 "Average Difference" CB 5 0.302 0.109 0.315 17868
282 1 47 "Average Difference" HN 4 0.290 -0.087 0.320 17868
283 1 48 "Average Difference" N 4 1.767 -0.382 1.993 17868
284 1 48 "Average Difference" HA 5 0.186 -0.004 0.208 17868
285 1 48 "Average Difference" C 0 0.000 0.000 0.000 17868
286 1 48 "Average Difference" CA 5 1.290 0.891 1.044 17868
287 1 48 "Average Difference" CB 5 0.712 -0.522 0.541 17868
288 1 48 "Average Difference" HN 4 0.135 -0.025 0.153 17868
289 1 49 "Average Difference" N 4 2.577 2.428 0.997 17868
290 1 49 "Average Difference" HA 5 0.205 0.012 0.229 17868
291 1 49 "Average Difference" C 0 0.000 0.000 0.000 17868
292 1 49 "Average Difference" CA 5 0.858 0.583 0.705 17868
293 1 49 "Average Difference" CB 5 0.711 -0.400 0.657 17868
294 1 49 "Average Difference" HN 4 0.188 0.075 0.199 17868
295 1 50 "Average Difference" N 4 2.595 -1.317 2.581 17868
296 1 50 "Average Difference" HA 5 0.322 -0.025 0.359 17868
297 1 50 "Average Difference" C 0 0.000 0.000 0.000 17868
298 1 50 "Average Difference" CA 5 1.289 0.648 1.246 17868
299 1 50 "Average Difference" CB 5 1.636 -1.103 1.350 17868
300 1 50 "Average Difference" HN 4 0.322 -0.199 0.292 17868
301 1 51 "Average Difference" N 4 1.960 -0.346 2.227 17868
302 1 51 "Average Difference" HA 5 0.175 0.121 0.141 17868
303 1 51 "Average Difference" C 0 0.000 0.000 0.000 17868
304 1 51 "Average Difference" CA 5 0.592 0.121 0.648 17868
305 1 51 "Average Difference" CB 5 0.795 0.061 0.887 17868
306 1 51 "Average Difference" HN 4 0.155 -0.135 0.089 17868
307 1 52 "Average Difference" N 4 3.360 1.676 3.363 17868
308 1 52 "Average Difference" HA 5 0.092 0.082 0.046 17868
309 1 52 "Average Difference" C 0 0.000 0.000 0.000 17868
310 1 52 "Average Difference" CA 5 0.744 0.490 0.626 17868
311 1 52 "Average Difference" CB 5 0.725 -0.066 0.807 17868
312 1 52 "Average Difference" HN 4 0.290 0.032 0.333 17868
313 1 53 "Average Difference" N 4 4.960 -2.835 4.701 17868
314 1 53 "Average Difference" HA 5 0.247 -0.059 0.268 17868
315 1 53 "Average Difference" C 0 0.000 0.000 0.000 17868
316 1 53 "Average Difference" CA 5 1.640 0.633 1.691 17868
317 1 53 "Average Difference" CB 5 1.508 -0.094 1.682 17868
318 1 53 "Average Difference" HN 4 0.599 -0.411 0.503 17868
319 1 54 "Average Difference" N 4 2.213 -1.195 2.151 17868
320 1 54 "Average Difference" HA 5 0.213 0.197 0.091 17868
321 1 54 "Average Difference" C 0 0.000 0.000 0.000 17868
322 1 54 "Average Difference" CA 5 0.699 0.203 0.747 17868
323 1 54 "Average Difference" CB 5 0.586 -0.217 0.609 17868
324 1 54 "Average Difference" HN 4 0.303 -0.261 0.177 17868
325 1 55 "Average Difference" N 4 4.239 -1.195 4.697 17868
326 1 55 "Average Difference" HA 5 0.142 0.005 0.158 17868
327 1 55 "Average Difference" C 0 0.000 0.000 0.000 17868
328 1 55 "Average Difference" CA 5 0.821 0.144 0.904 17868
329 1 55 "Average Difference" CB 5 0.870 -0.527 0.774 17868
330 1 55 "Average Difference" HN 4 0.191 0.015 0.220 17868
331 1 56 "Average Difference" N 4 2.916 -0.398 3.336 17868
332 1 56 "Average Difference" HA 5 0.340 -0.091 0.367 17868
333 1 56 "Average Difference" C 0 0.000 0.000 0.000 17868
334 1 56 "Average Difference" CA 5 1.531 0.579 1.585 17868
335 1 56 "Average Difference" CB 5 1.161 -0.831 0.906 17868
336 1 56 "Average Difference" HN 4 0.430 -0.260 0.396 17868
337 1 57 "Average Difference" N 4 1.297 0.893 1.085 17868
338 1 57 "Average Difference" HA 5 0.295 -0.148 0.285 17868
339 1 57 "Average Difference" C 0 0.000 0.000 0.000 17868
340 1 57 "Average Difference" CA 5 1.349 0.873 1.150 17868
341 1 57 "Average Difference" CB 5 1.146 -0.640 1.063 17868
342 1 57 "Average Difference" HN 4 0.226 -0.009 0.261 17868
343 1 58 "Average Difference" N 4 4.776 1.305 5.305 17868
344 1 58 "Average Difference" HA 5 0.207 -0.095 0.205 17868
345 1 58 "Average Difference" C 0 0.000 0.000 0.000 17868
346 1 58 "Average Difference" CA 5 1.376 1.051 0.993 17868
347 1 58 "Average Difference" CB 5 1.038 -0.741 0.813 17868
348 1 58 "Average Difference" HN 4 0.099 0.028 0.110 17868
349 1 59 "Average Difference" N 4 3.171 2.517 2.227 17868
350 1 59 "Average Difference" HA 5 0.249 -0.003 0.278 17868
351 1 59 "Average Difference" C 0 0.000 0.000 0.000 17868
352 1 59 "Average Difference" CA 5 1.360 0.499 1.415 17868
353 1 59 "Average Difference" CB 5 0.789 -0.476 0.703 17868
354 1 59 "Average Difference" HN 4 0.308 -0.099 0.336 17868
355 1 60 "Average Difference" N 4 1.564 0.043 1.805 17868
356 1 60 "Average Difference" HA 5 0.146 -0.047 0.154 17868
357 1 60 "Average Difference" C 0 0.000 0.000 0.000 17868
358 1 60 "Average Difference" CA 5 0.748 0.498 0.625 17868
359 1 60 "Average Difference" CB 5 0.663 -0.230 0.695 17868
360 1 60 "Average Difference" HN 4 0.445 -0.220 0.446 17868
361 1 61 "Average Difference" N 4 2.191 -1.515 1.828 17868
362 1 61 "Average Difference" HA 5 0.228 -0.117 0.218 17868
363 1 61 "Average Difference" C 0 0.000 0.000 0.000 17868
364 1 61 "Average Difference" CA 5 1.097 0.525 1.077 17868
365 1 61 "Average Difference" CB 5 0.906 -0.392 0.913 17868
366 1 61 "Average Difference" HN 4 0.148 0.070 0.150 17868
367 1 62 "Average Difference" N 4 2.777 0.531 3.147 17868
368 1 62 "Average Difference" HA 5 0.280 -0.038 0.310 17868
369 1 62 "Average Difference" C 0 0.000 0.000 0.000 17868
370 1 62 "Average Difference" CA 5 1.667 0.377 1.815 17868
371 1 62 "Average Difference" CB 5 1.010 -0.103 1.123 17868
372 1 62 "Average Difference" HN 4 0.374 -0.168 0.386 17868
373 1 63 "Average Difference" N 4 2.181 -1.266 2.051 17868
374 1 63 "Average Difference" HA 5 0.238 -0.050 0.260 17868
375 1 63 "Average Difference" C 0 0.000 0.000 0.000 17868
376 1 63 "Average Difference" CA 5 1.099 0.501 1.094 17868
377 1 63 "Average Difference" CB 5 0.903 -0.509 0.834 17868
378 1 63 "Average Difference" HN 4 0.307 -0.193 0.275 17868
379 1 64 "Average Difference" N 4 3.646 -2.609 2.941 17868
380 1 64 "Average Difference" HA 5 0.255 -0.068 0.274 17868
381 1 64 "Average Difference" C 0 0.000 0.000 0.000 17868
382 1 64 "Average Difference" CA 5 1.302 0.478 1.354 17868
383 1 64 "Average Difference" CB 5 1.037 -0.577 0.963 17868
384 1 64 "Average Difference" HN 4 0.487 -0.271 0.467 17868
385 1 65 "Average Difference" N 4 3.485 2.851 2.314 17868
386 1 65 "Average Difference" HA 5 0.132 0.040 0.141 17868
387 1 65 "Average Difference" C 0 0.000 0.000 0.000 17868
388 1 65 "Average Difference" CA 5 0.998 0.509 0.960 17868
389 1 65 "Average Difference" CB 5 0.878 -0.221 0.950 17868
390 1 65 "Average Difference" HN 4 0.050 0.030 0.047 17868
391 1 66 "Average Difference" N 4 1.676 0.931 1.609 17868
392 1 66 "Average Difference" HA 5 0.140 0.091 0.119 17868
393 1 66 "Average Difference" C 0 0.000 0.000 0.000 17868
394 1 66 "Average Difference" CA 5 0.480 0.213 0.481 17868
395 1 66 "Average Difference" CB 5 0.761 0.151 0.833 17868
396 1 66 "Average Difference" HN 4 0.035 0.006 0.040 17868
397 1 67 "Average Difference" N 4 3.965 -2.232 3.785 17868
398 1 67 "Average Difference" HA 5 0.265 -0.021 0.296 17868
399 1 67 "Average Difference" C 0 0.000 0.000 0.000 17868
400 1 67 "Average Difference" CA 5 1.816 1.180 1.543 17868
401 1 67 "Average Difference" CB 5 1.249 -0.496 1.281 17868
402 1 67 "Average Difference" HN 4 0.164 0.096 0.154 17868
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 17868
_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 3 113.800 113.800 115.617 -1.817 17868
2 1 . 1 1 3 3 THR HA H 3 4.440 4.440 4.434 0.006 17868
3 1 . 1 1 3 3 THR CA C 3 61.570 61.570 62.397 -0.827 17868
4 1 . 1 1 3 3 THR CB C 3 69.820 69.820 69.473 0.347 17868
5 1 . 1 1 3 3 THR H H 3 8.310 8.310 8.202 0.108 17868
6 1 . 1 1 4 4 THR N N 4 116.300 116.300 117.677 -1.377 17868
7 1 . 1 1 4 4 THR HA H 4 4.420 4.420 4.492 -0.072 17868
8 1 . 1 1 4 4 THR CA C 4 61.530 61.530 61.865 -0.335 17868
9 1 . 1 1 4 4 THR CB C 4 69.950 69.950 69.545 0.405 17868
10 1 . 1 1 4 4 THR H H 4 8.140 8.140 8.177 -0.037 17868
11 1 . 1 1 5 5 THR N N 5 119.300 119.300 117.105 2.195 17868
12 1 . 1 1 5 5 THR HA H 5 4.610 4.610 4.414 0.196 17868
13 1 . 1 1 5 5 THR CA C 5 59.790 59.790 61.266 -1.476 17868
14 1 . 1 1 5 5 THR CB C 5 69.830 69.830 68.700 1.130 17868
15 1 . 1 1 5 5 THR H H 5 8.220 8.220 8.074 0.146 17868
16 1 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.528 -0.128 17868
17 1 . 1 1 6 6 PRO CA C 6 63.180 63.180 62.746 0.434 17868
18 1 . 1 1 6 6 PRO CB C 6 32.160 32.160 32.016 0.144 17868
19 1 . 1 1 7 7 LEU N N 7 122.700 122.700 121.732 0.968 17868
20 1 . 1 1 7 7 LEU HA H 7 4.290 4.290 4.352 -0.062 17868
21 1 . 1 1 7 7 LEU CA C 7 55.250 55.250 55.331 -0.081 17868
22 1 . 1 1 7 7 LEU CB C 7 42.190 42.190 42.135 0.055 17868
23 1 . 1 1 7 7 LEU H H 7 8.310 8.310 8.211 0.099 17868
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