data_17869
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17869
_Entry.PDB_ID 2LHW
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 17869
_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 3 113.700 113.700 115.092 -1.392 17869
2 1 1 . 1 1 3 3 THR HA H 3 4.720 4.720 4.573 0.147 17869
3 1 1 . 1 1 3 3 THR CA C 3 59.970 59.970 61.381 -1.411 17869
4 1 1 . 1 1 3 3 THR CB C 3 79.750 79.750 70.496 9.254 17869
5 1 1 . 1 1 3 3 THR H H 3 8.590 8.590 8.183 0.407 17869
6 1 1 . 1 1 4 4 THR N N 4 112.800 112.800 115.251 -2.451 17869
7 1 1 . 1 1 4 4 THR HA H 4 4.780 4.780 4.617 0.163 17869
8 1 1 . 1 1 4 4 THR CA C 4 59.330 59.330 61.500 -2.170 17869
9 1 1 . 1 1 4 4 THR CB C 4 80.030 80.030 69.735 10.295 17869
10 1 1 . 1 1 4 4 THR H H 4 8.780 8.780 8.139 0.641 17869
11 1 1 . 1 1 5 5 THR N N 5 111.600 111.600 116.668 -5.068 17869
12 1 1 . 1 1 5 5 THR HA H 5 4.650 4.650 4.621 0.029 17869
13 1 1 . 1 1 5 5 THR CA C 5 58.190 58.190 59.216 -1.026 17869
14 1 1 . 1 1 5 5 THR CB C 5 76.870 76.870 69.237 7.633 17869
15 1 1 . 1 1 5 5 THR H H 5 8.690 8.690 8.229 0.461 17869
16 1 1 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.299 0.131 17869
17 1 1 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.139 -0.919 17869
18 1 1 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.520 0.680 17869
19 1 1 . 1 1 7 7 LEU N N 7 121.600 121.600 125.573 -3.973 17869
20 1 1 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.246 -0.166 17869
21 1 1 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.017 0.473 17869
22 1 1 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.838 0.732 17869
23 1 1 . 1 1 7 7 LEU H H 7 8.160 8.160 8.331 -0.171 17869
24 1 2 . 1 1 3 3 THR N N 3 113.700 113.700 114.535 -0.835 17869
25 1 2 . 1 1 3 3 THR HA H 3 4.720 4.720 4.494 0.226 17869
26 1 2 . 1 1 3 3 THR CA C 3 59.970 59.970 61.465 -1.495 17869
27 1 2 . 1 1 3 3 THR CB C 3 79.750 79.750 69.896 9.854 17869
28 1 2 . 1 1 3 3 THR H H 3 8.590 8.590 7.947 0.643 17869
29 1 2 . 1 1 4 4 THR N N 4 112.800 112.800 114.110 -1.310 17869
30 1 2 . 1 1 4 4 THR HA H 4 4.780 4.780 4.553 0.227 17869
31 1 2 . 1 1 4 4 THR CA C 4 59.330 59.330 61.422 -2.092 17869
32 1 2 . 1 1 4 4 THR CB C 4 80.030 80.030 69.983 10.047 17869
33 1 2 . 1 1 4 4 THR H H 4 8.780 8.780 8.224 0.556 17869
34 1 2 . 1 1 5 5 THR N N 5 111.600 111.600 116.847 -5.247 17869
35 1 2 . 1 1 5 5 THR HA H 5 4.650 4.650 4.656 -0.006 17869
36 1 2 . 1 1 5 5 THR CA C 5 58.190 58.190 59.079 -0.889 17869
37 1 2 . 1 1 5 5 THR CB C 5 76.870 76.870 69.095 7.775 17869
38 1 2 . 1 1 5 5 THR H H 5 8.690 8.690 8.346 0.344 17869
39 1 2 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.457 -0.027 17869
40 1 2 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.304 -0.084 17869
41 1 2 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.066 0.134 17869
42 1 2 . 1 1 7 7 LEU N N 7 121.600 121.600 120.982 0.618 17869
43 1 2 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.272 -0.192 17869
44 1 2 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.839 0.651 17869
45 1 2 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.842 0.728 17869
46 1 2 . 1 1 7 7 LEU H H 7 8.160 8.160 8.183 -0.023 17869
47 1 3 . 1 1 3 3 THR N N 3 113.700 113.700 114.815 -1.115 17869
48 1 3 . 1 1 3 3 THR HA H 3 4.720 4.720 4.617 0.103 17869
49 1 3 . 1 1 3 3 THR CA C 3 59.970 59.970 61.310 -1.340 17869
50 1 3 . 1 1 3 3 THR CB C 3 79.750 79.750 69.944 9.806 17869
51 1 3 . 1 1 3 3 THR H H 3 8.590 8.590 8.103 0.487 17869
52 1 3 . 1 1 4 4 THR N N 4 112.800 112.800 114.931 -2.131 17869
53 1 3 . 1 1 4 4 THR HA H 4 4.780 4.780 4.633 0.147 17869
54 1 3 . 1 1 4 4 THR CA C 4 59.330 59.330 62.056 -2.726 17869
55 1 3 . 1 1 4 4 THR CB C 4 80.030 80.030 70.807 9.223 17869
56 1 3 . 1 1 4 4 THR H H 4 8.780 8.780 8.211 0.569 17869
57 1 3 . 1 1 5 5 THR N N 5 111.600 111.600 116.686 -5.086 17869
58 1 3 . 1 1 5 5 THR HA H 5 4.650 4.650 4.635 0.015 17869
59 1 3 . 1 1 5 5 THR CA C 5 58.190 58.190 58.865 -0.675 17869
60 1 3 . 1 1 5 5 THR CB C 5 76.870 76.870 68.402 8.468 17869
61 1 3 . 1 1 5 5 THR H H 5 8.690 8.690 8.107 0.583 17869
62 1 3 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.518 -0.088 17869
63 1 3 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.370 -0.150 17869
64 1 3 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.710 1.490 17869
65 1 3 . 1 1 7 7 LEU N N 7 121.600 121.600 118.218 3.382 17869
66 1 3 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.943 0.137 17869
67 1 3 . 1 1 7 7 LEU CA C 7 55.490 55.490 56.183 -0.693 17869
68 1 3 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.530 2.040 17869
69 1 3 . 1 1 7 7 LEU H H 7 8.160 8.160 7.829 0.331 17869
70 1 4 . 1 1 3 3 THR N N 3 113.700 113.700 116.243 -2.543 17869
71 1 4 . 1 1 3 3 THR HA H 3 4.720 4.720 4.631 0.089 17869
72 1 4 . 1 1 3 3 THR CA C 3 59.970 59.970 61.299 -1.329 17869
73 1 4 . 1 1 3 3 THR CB C 3 79.750 79.750 69.644 10.106 17869
74 1 4 . 1 1 3 3 THR H H 3 8.590 8.590 8.256 0.334 17869
75 1 4 . 1 1 4 4 THR N N 4 112.800 112.800 113.738 -0.938 17869
76 1 4 . 1 1 4 4 THR HA H 4 4.780 4.780 4.555 0.225 17869
77 1 4 . 1 1 4 4 THR CA C 4 59.330 59.330 61.469 -2.139 17869
78 1 4 . 1 1 4 4 THR CB C 4 80.030 80.030 71.116 8.914 17869
79 1 4 . 1 1 4 4 THR H H 4 8.780 8.780 8.035 0.745 17869
80 1 4 . 1 1 5 5 THR N N 5 111.600 111.600 115.284 -3.684 17869
81 1 4 . 1 1 5 5 THR HA H 5 4.650 4.650 4.614 0.036 17869
82 1 4 . 1 1 5 5 THR CA C 5 58.190 58.190 59.180 -0.990 17869
83 1 4 . 1 1 5 5 THR CB C 5 76.870 76.870 68.911 7.959 17869
84 1 4 . 1 1 5 5 THR H H 5 8.690 8.690 8.298 0.392 17869
85 1 4 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.235 0.195 17869
86 1 4 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.046 -0.826 17869
87 1 4 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.386 1.815 17869
88 1 4 . 1 1 7 7 LEU N N 7 121.600 121.600 119.597 2.003 17869
89 1 4 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.935 0.145 17869
90 1 4 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.509 -0.019 17869
91 1 4 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.010 2.561 17869
92 1 4 . 1 1 7 7 LEU H H 7 8.160 8.160 8.363 -0.203 17869
93 1 5 . 1 1 3 3 THR N N 3 113.700 113.700 113.960 -0.260 17869
94 1 5 . 1 1 3 3 THR HA H 3 4.720 4.720 4.607 0.113 17869
95 1 5 . 1 1 3 3 THR CA C 3 59.970 59.970 61.224 -1.254 17869
96 1 5 . 1 1 3 3 THR CB C 3 79.750 79.750 69.989 9.761 17869
97 1 5 . 1 1 3 3 THR H H 3 8.590 8.590 8.189 0.401 17869
98 1 5 . 1 1 4 4 THR N N 4 112.800 112.800 115.524 -2.724 17869
99 1 5 . 1 1 4 4 THR HA H 4 4.780 4.780 4.564 0.216 17869
100 1 5 . 1 1 4 4 THR CA C 4 59.330 59.330 61.704 -2.374 17869
101 1 5 . 1 1 4 4 THR CB C 4 80.030 80.030 70.766 9.264 17869
102 1 5 . 1 1 4 4 THR H H 4 8.780 8.780 8.150 0.630 17869
103 1 5 . 1 1 5 5 THR N N 5 111.600 111.600 116.025 -4.425 17869
104 1 5 . 1 1 5 5 THR HA H 5 4.650 4.650 4.612 0.038 17869
105 1 5 . 1 1 5 5 THR CA C 5 58.190 58.190 59.872 -1.682 17869
106 1 5 . 1 1 5 5 THR CB C 5 76.870 76.870 68.861 8.009 17869
107 1 5 . 1 1 5 5 THR H H 5 8.690 8.690 8.240 0.450 17869
108 1 5 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.333 0.097 17869
109 1 5 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.974 -0.754 17869
110 1 5 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.193 0.007 17869
111 1 5 . 1 1 7 7 LEU N N 7 121.600 121.600 125.325 -3.725 17869
112 1 5 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.112 -0.032 17869
113 1 5 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.681 -0.191 17869
114 1 5 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.568 1.002 17869
115 1 5 . 1 1 7 7 LEU H H 7 8.160 8.160 8.328 -0.168 17869
116 1 6 . 1 1 3 3 THR N N 3 113.700 113.700 115.368 -1.668 17869
117 1 6 . 1 1 3 3 THR HA H 3 4.720 4.720 4.613 0.107 17869
118 1 6 . 1 1 3 3 THR CA C 3 59.970 59.970 61.108 -1.138 17869
119 1 6 . 1 1 3 3 THR CB C 3 79.750 79.750 69.644 10.106 17869
120 1 6 . 1 1 3 3 THR H H 3 8.590 8.590 8.153 0.437 17869
121 1 6 . 1 1 4 4 THR N N 4 112.800 112.800 114.474 -1.674 17869
122 1 6 . 1 1 4 4 THR HA H 4 4.780 4.780 4.519 0.261 17869
123 1 6 . 1 1 4 4 THR CA C 4 59.330 59.330 61.363 -2.033 17869
124 1 6 . 1 1 4 4 THR CB C 4 80.030 80.030 69.895 10.135 17869
125 1 6 . 1 1 4 4 THR H H 4 8.780 8.780 8.064 0.716 17869
126 1 6 . 1 1 5 5 THR N N 5 111.600 111.600 115.331 -3.731 17869
127 1 6 . 1 1 5 5 THR HA H 5 4.650 4.650 4.674 -0.024 17869
128 1 6 . 1 1 5 5 THR CA C 5 58.190 58.190 59.039 -0.849 17869
129 1 6 . 1 1 5 5 THR CB C 5 76.870 76.870 69.263 7.608 17869
130 1 6 . 1 1 5 5 THR H H 5 8.690 8.690 8.249 0.441 17869
131 1 6 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.343 0.087 17869
132 1 6 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.154 -0.934 17869
133 1 6 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.927 0.273 17869
134 1 6 . 1 1 7 7 LEU N N 7 121.600 121.600 125.530 -3.930 17869
135 1 6 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.208 -0.128 17869
136 1 6 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.553 -0.063 17869
137 1 6 . 1 1 7 7 LEU CB C 7 42.570 42.570 39.835 2.735 17869
138 1 6 . 1 1 7 7 LEU H H 7 8.160 8.160 8.542 -0.382 17869
139 1 7 . 1 1 3 3 THR N N 3 113.700 113.700 113.664 0.036 17869
140 1 7 . 1 1 3 3 THR HA H 3 4.720 4.720 4.991 -0.271 17869
141 1 7 . 1 1 3 3 THR CA C 3 59.970 59.970 61.501 -1.531 17869
142 1 7 . 1 1 3 3 THR CB C 3 79.750 79.750 70.236 9.514 17869
143 1 7 . 1 1 3 3 THR H H 3 8.590 8.590 8.640 -0.050 17869
144 1 7 . 1 1 4 4 THR N N 4 112.800 112.800 113.131 -0.331 17869
145 1 7 . 1 1 4 4 THR HA H 4 4.780 4.780 4.727 0.053 17869
146 1 7 . 1 1 4 4 THR CA C 4 59.330 59.330 61.423 -2.093 17869
147 1 7 . 1 1 4 4 THR CB C 4 80.030 80.030 71.739 8.291 17869
148 1 7 . 1 1 4 4 THR H H 4 8.780 8.780 8.718 0.062 17869
149 1 7 . 1 1 5 5 THR N N 5 111.600 111.600 113.424 -1.824 17869
150 1 7 . 1 1 5 5 THR HA H 5 4.650 4.650 4.628 0.022 17869
151 1 7 . 1 1 5 5 THR CA C 5 58.190 58.190 60.004 -1.814 17869
152 1 7 . 1 1 5 5 THR CB C 5 76.870 76.870 69.468 7.402 17869
153 1 7 . 1 1 5 5 THR H H 5 8.690 8.690 8.009 0.681 17869
154 1 7 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.668 -0.238 17869
155 1 7 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.730 -0.509 17869
156 1 7 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.962 0.238 17869
157 1 7 . 1 1 7 7 LEU N N 7 121.600 121.600 125.431 -3.831 17869
158 1 7 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.276 -0.196 17869
159 1 7 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.994 -0.504 17869
160 1 7 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.825 0.745 17869
161 1 7 . 1 1 7 7 LEU H H 7 8.160 8.160 8.273 -0.113 17869
162 1 8 . 1 1 3 3 THR N N 3 113.700 113.700 114.119 -0.419 17869
163 1 8 . 1 1 3 3 THR HA H 3 4.720 4.720 5.095 -0.375 17869
164 1 8 . 1 1 3 3 THR CA C 3 59.970 59.970 61.523 -1.553 17869
165 1 8 . 1 1 3 3 THR CB C 3 79.750 79.750 70.597 9.152 17869
166 1 8 . 1 1 3 3 THR H H 3 8.590 8.590 8.786 -0.196 17869
167 1 8 . 1 1 4 4 THR N N 4 112.800 112.800 113.298 -0.498 17869
168 1 8 . 1 1 4 4 THR HA H 4 4.780 4.780 4.910 -0.130 17869
169 1 8 . 1 1 4 4 THR CA C 4 59.330 59.330 61.371 -2.041 17869
170 1 8 . 1 1 4 4 THR CB C 4 80.030 80.030 71.038 8.992 17869
171 1 8 . 1 1 4 4 THR H H 4 8.780 8.780 8.727 0.053 17869
172 1 8 . 1 1 5 5 THR N N 5 111.600 111.600 113.620 -2.020 17869
173 1 8 . 1 1 5 5 THR HA H 5 4.650 4.650 4.582 0.068 17869
174 1 8 . 1 1 5 5 THR CA C 5 58.190 58.190 59.977 -1.786 17869
175 1 8 . 1 1 5 5 THR CB C 5 76.870 76.870 70.206 6.664 17869
176 1 8 . 1 1 5 5 THR H H 5 8.690 8.690 7.992 0.698 17869
177 1 8 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.311 0.119 17869
178 1 8 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.079 -0.859 17869
179 1 8 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.552 1.648 17869
180 1 8 . 1 1 7 7 LEU N N 7 121.600 121.600 122.869 -1.269 17869
181 1 8 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.898 0.182 17869
182 1 8 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.745 -0.254 17869
183 1 8 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.784 1.786 17869
184 1 8 . 1 1 7 7 LEU H H 7 8.160 8.160 8.373 -0.213 17869
185 1 9 . 1 1 3 3 THR N N 3 113.700 113.700 113.215 0.485 17869
186 1 9 . 1 1 3 3 THR HA H 3 4.720 4.720 4.976 -0.256 17869
187 1 9 . 1 1 3 3 THR CA C 3 59.970 59.970 61.659 -1.689 17869
188 1 9 . 1 1 3 3 THR CB C 3 79.750 79.750 70.547 9.203 17869
189 1 9 . 1 1 3 3 THR H H 3 8.590 8.590 8.721 -0.131 17869
190 1 9 . 1 1 4 4 THR N N 4 112.800 112.800 114.298 -1.498 17869
191 1 9 . 1 1 4 4 THR HA H 4 4.780 4.780 4.975 -0.195 17869
192 1 9 . 1 1 4 4 THR CA C 4 59.330 59.330 61.550 -2.220 17869
193 1 9 . 1 1 4 4 THR CB C 4 80.030 80.030 71.542 8.488 17869
194 1 9 . 1 1 4 4 THR H H 4 8.780 8.780 8.783 -0.003 17869
195 1 9 . 1 1 5 5 THR N N 5 111.600 111.600 113.543 -1.943 17869
196 1 9 . 1 1 5 5 THR HA H 5 4.650 4.650 4.662 -0.012 17869
197 1 9 . 1 1 5 5 THR CA C 5 58.190 58.190 60.016 -1.826 17869
198 1 9 . 1 1 5 5 THR CB C 5 76.870 76.870 69.227 7.643 17869
199 1 9 . 1 1 5 5 THR H H 5 8.690 8.690 7.956 0.734 17869
200 1 9 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.531 -0.101 17869
201 1 9 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.295 -0.076 17869
202 1 9 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.134 0.066 17869
203 1 9 . 1 1 7 7 LEU N N 7 121.600 121.600 121.478 0.122 17869
204 1 9 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.272 -0.192 17869
205 1 9 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.970 0.520 17869
206 1 9 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.835 0.735 17869
207 1 9 . 1 1 7 7 LEU H H 7 8.160 8.160 8.213 -0.053 17869
208 1 10 . 1 1 3 3 THR N N 3 113.700 113.700 116.476 -2.776 17869
209 1 10 . 1 1 3 3 THR HA H 3 4.720 4.720 4.623 0.097 17869
210 1 10 . 1 1 3 3 THR CA C 3 59.970 59.970 61.103 -1.133 17869
211 1 10 . 1 1 3 3 THR CB C 3 79.750 79.750 69.439 10.312 17869
212 1 10 . 1 1 3 3 THR H H 3 8.590 8.590 8.079 0.511 17869
213 1 10 . 1 1 4 4 THR N N 4 112.800 112.800 115.301 -2.501 17869
214 1 10 . 1 1 4 4 THR HA H 4 4.780 4.780 4.491 0.289 17869
215 1 10 . 1 1 4 4 THR CA C 4 59.330 59.330 61.368 -2.038 17869
216 1 10 . 1 1 4 4 THR CB C 4 80.030 80.030 70.073 9.957 17869
217 1 10 . 1 1 4 4 THR H H 4 8.780 8.780 8.125 0.655 17869
218 1 10 . 1 1 5 5 THR N N 5 111.600 111.600 115.255 -3.655 17869
219 1 10 . 1 1 5 5 THR HA H 5 4.650 4.650 4.575 0.075 17869
220 1 10 . 1 1 5 5 THR CA C 5 58.190 58.190 59.480 -1.290 17869
221 1 10 . 1 1 5 5 THR CB C 5 76.870 76.870 68.808 8.062 17869
222 1 10 . 1 1 5 5 THR H H 5 8.690 8.690 8.201 0.489 17869
223 1 10 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.289 0.141 17869
224 1 10 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.096 -0.876 17869
225 1 10 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.913 0.287 17869
226 1 10 . 1 1 7 7 LEU N N 7 121.600 121.600 126.039 -4.439 17869
227 1 10 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.175 -0.095 17869
228 1 10 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.420 0.070 17869
229 1 10 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.264 2.306 17869
230 1 10 . 1 1 7 7 LEU H H 7 8.160 8.160 8.283 -0.123 17869
231 1 11 . 1 1 3 3 THR N N 3 113.700 113.700 114.426 -0.726 17869
232 1 11 . 1 1 3 3 THR HA H 3 4.720 4.720 5.052 -0.332 17869
233 1 11 . 1 1 3 3 THR CA C 3 59.970 59.970 61.723 -1.753 17869
234 1 11 . 1 1 3 3 THR CB C 3 79.750 79.750 70.325 9.425 17869
235 1 11 . 1 1 3 3 THR H H 3 8.590 8.590 8.495 0.095 17869
236 1 11 . 1 1 4 4 THR N N 4 112.800 112.800 114.279 -1.479 17869
237 1 11 . 1 1 4 4 THR HA H 4 4.780 4.780 4.666 0.114 17869
238 1 11 . 1 1 4 4 THR CA C 4 59.330 59.330 60.865 -1.535 17869
239 1 11 . 1 1 4 4 THR CB C 4 80.030 80.030 70.916 9.114 17869
240 1 11 . 1 1 4 4 THR H H 4 8.780 8.780 8.582 0.198 17869
241 1 11 . 1 1 5 5 THR N N 5 111.600 111.600 114.852 -3.252 17869
242 1 11 . 1 1 5 5 THR HA H 5 4.650 4.650 4.614 0.036 17869
243 1 11 . 1 1 5 5 THR CA C 5 58.190 58.190 59.431 -1.241 17869
244 1 11 . 1 1 5 5 THR CB C 5 76.870 76.870 68.959 7.911 17869
245 1 11 . 1 1 5 5 THR H H 5 8.690 8.690 8.122 0.568 17869
246 1 11 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.552 -0.122 17869
247 1 11 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.628 -0.408 17869
248 1 11 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.904 1.296 17869
249 1 11 . 1 1 7 7 LEU N N 7 121.600 121.600 122.107 -0.507 17869
250 1 11 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.788 0.292 17869
251 1 11 . 1 1 7 7 LEU CA C 7 55.490 55.490 56.765 -1.275 17869
252 1 11 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.535 2.034 17869
253 1 11 . 1 1 7 7 LEU H H 7 8.160 8.160 7.948 0.212 17869
254 1 12 . 1 1 3 3 THR N N 3 113.700 113.700 112.772 0.928 17869
255 1 12 . 1 1 3 3 THR HA H 3 4.720 4.720 4.914 -0.194 17869
256 1 12 . 1 1 3 3 THR CA C 3 59.970 59.970 61.617 -1.647 17869
257 1 12 . 1 1 3 3 THR CB C 3 79.750 79.750 70.625 9.125 17869
258 1 12 . 1 1 3 3 THR H H 3 8.590 8.590 8.779 -0.189 17869
259 1 12 . 1 1 4 4 THR N N 4 112.800 112.800 115.134 -2.334 17869
260 1 12 . 1 1 4 4 THR HA H 4 4.780 4.780 4.641 0.139 17869
261 1 12 . 1 1 4 4 THR CA C 4 59.330 59.330 61.360 -2.030 17869
262 1 12 . 1 1 4 4 THR CB C 4 80.030 80.030 70.809 9.221 17869
263 1 12 . 1 1 4 4 THR H H 4 8.780 8.780 8.037 0.743 17869
264 1 12 . 1 1 5 5 THR N N 5 111.600 111.600 115.408 -3.808 17869
265 1 12 . 1 1 5 5 THR HA H 5 4.650 4.650 4.740 -0.090 17869
266 1 12 . 1 1 5 5 THR CA C 5 58.190 58.190 60.336 -2.146 17869
267 1 12 . 1 1 5 5 THR CB C 5 76.870 76.870 69.215 7.655 17869
268 1 12 . 1 1 5 5 THR H H 5 8.690 8.690 8.066 0.624 17869
269 1 12 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.383 0.047 17869
270 1 12 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.090 -0.870 17869
271 1 12 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.932 0.268 17869
272 1 12 . 1 1 7 7 LEU N N 7 121.600 121.600 113.742 7.858 17869
273 1 12 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.743 -0.663 17869
274 1 12 . 1 1 7 7 LEU CA C 7 55.490 55.490 53.731 1.759 17869
275 1 12 . 1 1 7 7 LEU CB C 7 42.570 42.570 44.120 -1.550 17869
276 1 12 . 1 1 7 7 LEU H H 7 8.160 8.160 8.416 -0.256 17869
277 1 13 . 1 1 3 3 THR N N 3 113.700 113.700 114.051 -0.351 17869
278 1 13 . 1 1 3 3 THR HA H 3 4.720 4.720 4.600 0.120 17869
279 1 13 . 1 1 3 3 THR CA C 3 59.970 59.970 61.517 -1.547 17869
280 1 13 . 1 1 3 3 THR CB C 3 79.750 79.750 69.501 10.249 17869
281 1 13 . 1 1 3 3 THR H H 3 8.590 8.590 8.299 0.291 17869
282 1 13 . 1 1 4 4 THR N N 4 112.800 112.800 112.683 0.117 17869
283 1 13 . 1 1 4 4 THR HA H 4 4.780 4.780 4.617 0.163 17869
284 1 13 . 1 1 4 4 THR CA C 4 59.330 59.330 61.507 -2.177 17869
285 1 13 . 1 1 4 4 THR CB C 4 80.030 80.030 70.867 9.163 17869
286 1 13 . 1 1 4 4 THR H H 4 8.780 8.780 8.017 0.763 17869
287 1 13 . 1 1 5 5 THR N N 5 111.600 111.600 115.050 -3.450 17869
288 1 13 . 1 1 5 5 THR HA H 5 4.650 4.650 4.733 -0.083 17869
289 1 13 . 1 1 5 5 THR CA C 5 58.190 58.190 58.918 -0.728 17869
290 1 13 . 1 1 5 5 THR CB C 5 76.870 76.870 69.094 7.776 17869
291 1 13 . 1 1 5 5 THR H H 5 8.690 8.690 8.285 0.405 17869
292 1 13 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.365 0.065 17869
293 1 13 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.164 -0.944 17869
294 1 13 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.586 1.614 17869
295 1 13 . 1 1 7 7 LEU N N 7 121.600 121.600 119.021 2.579 17869
296 1 13 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.257 -0.177 17869
297 1 13 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.060 0.430 17869
298 1 13 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.704 0.866 17869
299 1 13 . 1 1 7 7 LEU H H 7 8.160 8.160 8.076 0.084 17869
300 1 14 . 1 1 3 3 THR N N 3 113.700 113.700 115.507 -1.807 17869
301 1 14 . 1 1 3 3 THR HA H 3 4.720 4.720 4.953 -0.233 17869
302 1 14 . 1 1 3 3 THR CA C 3 59.970 59.970 61.925 -1.955 17869
303 1 14 . 1 1 3 3 THR CB C 3 79.750 79.750 70.382 9.368 17869
304 1 14 . 1 1 3 3 THR H H 3 8.590 8.590 8.701 -0.111 17869
305 1 14 . 1 1 4 4 THR N N 4 112.800 112.800 113.025 -0.225 17869
306 1 14 . 1 1 4 4 THR HA H 4 4.780 4.780 4.876 -0.096 17869
307 1 14 . 1 1 4 4 THR CA C 4 59.330 59.330 61.370 -2.039 17869
308 1 14 . 1 1 4 4 THR CB C 4 80.030 80.030 71.343 8.687 17869
309 1 14 . 1 1 4 4 THR H H 4 8.780 8.780 8.428 0.352 17869
310 1 14 . 1 1 5 5 THR N N 5 111.600 111.600 112.733 -1.133 17869
311 1 14 . 1 1 5 5 THR HA H 5 4.650 4.650 4.637 0.013 17869
312 1 14 . 1 1 5 5 THR CA C 5 58.190 58.190 59.780 -1.590 17869
313 1 14 . 1 1 5 5 THR CB C 5 76.870 76.870 70.372 6.498 17869
314 1 14 . 1 1 5 5 THR H H 5 8.690 8.690 8.057 0.633 17869
315 1 14 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.385 0.045 17869
316 1 14 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.218 -0.998 17869
317 1 14 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.440 1.760 17869
318 1 14 . 1 1 7 7 LEU N N 7 121.600 121.600 119.623 1.977 17869
319 1 14 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.358 -0.278 17869
320 1 14 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.009 0.481 17869
321 1 14 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.131 2.439 17869
322 1 14 . 1 1 7 7 LEU H H 7 8.160 8.160 8.311 -0.151 17869
323 1 15 . 1 1 3 3 THR N N 3 113.700 113.700 114.609 -0.909 17869
324 1 15 . 1 1 3 3 THR HA H 3 4.720 4.720 4.582 0.138 17869
325 1 15 . 1 1 3 3 THR CA C 3 59.970 59.970 61.343 -1.373 17869
326 1 15 . 1 1 3 3 THR CB C 3 79.750 79.750 69.544 10.206 17869
327 1 15 . 1 1 3 3 THR H H 3 8.590 8.590 8.165 0.425 17869
328 1 15 . 1 1 4 4 THR N N 4 112.800 112.800 113.942 -1.142 17869
329 1 15 . 1 1 4 4 THR HA H 4 4.780 4.780 4.552 0.228 17869
330 1 15 . 1 1 4 4 THR CA C 4 59.330 59.330 61.563 -2.233 17869
331 1 15 . 1 1 4 4 THR CB C 4 80.030 80.030 71.350 8.680 17869
332 1 15 . 1 1 4 4 THR H H 4 8.780 8.780 8.128 0.652 17869
333 1 15 . 1 1 5 5 THR N N 5 111.600 111.600 114.814 -3.214 17869
334 1 15 . 1 1 5 5 THR HA H 5 4.650 4.650 4.657 -0.007 17869
335 1 15 . 1 1 5 5 THR CA C 5 58.190 58.190 58.641 -0.451 17869
336 1 15 . 1 1 5 5 THR CB C 5 76.870 76.870 68.704 8.165 17869
337 1 15 . 1 1 5 5 THR H H 5 8.690 8.690 8.144 0.546 17869
338 1 15 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.364 0.066 17869
339 1 15 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.094 -0.874 17869
340 1 15 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.119 2.081 17869
341 1 15 . 1 1 7 7 LEU N N 7 121.600 121.600 120.588 1.012 17869
342 1 15 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.329 -0.249 17869
343 1 15 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.862 0.628 17869
344 1 15 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.090 2.480 17869
345 1 15 . 1 1 7 7 LEU H H 7 8.160 8.160 8.081 0.079 17869
346 1 16 . 1 1 3 3 THR N N 3 113.700 113.700 115.073 -1.373 17869
347 1 16 . 1 1 3 3 THR HA H 3 4.720 4.720 4.856 -0.136 17869
348 1 16 . 1 1 3 3 THR CA C 3 59.970 59.970 61.961 -1.991 17869
349 1 16 . 1 1 3 3 THR CB C 3 79.750 79.750 70.114 9.636 17869
350 1 16 . 1 1 3 3 THR H H 3 8.590 8.590 8.618 -0.028 17869
351 1 16 . 1 1 4 4 THR N N 4 112.800 112.800 114.929 -2.129 17869
352 1 16 . 1 1 4 4 THR HA H 4 4.780 4.780 4.653 0.127 17869
353 1 16 . 1 1 4 4 THR CA C 4 59.330 59.330 61.130 -1.800 17869
354 1 16 . 1 1 4 4 THR CB C 4 80.030 80.030 71.580 8.450 17869
355 1 16 . 1 1 4 4 THR H H 4 8.780 8.780 8.476 0.304 17869
356 1 16 . 1 1 5 5 THR N N 5 111.600 111.600 114.780 -3.180 17869
357 1 16 . 1 1 5 5 THR HA H 5 4.650 4.650 4.636 0.014 17869
358 1 16 . 1 1 5 5 THR CA C 5 58.190 58.190 59.366 -1.176 17869
359 1 16 . 1 1 5 5 THR CB C 5 76.870 76.870 69.078 7.792 17869
360 1 16 . 1 1 5 5 THR H H 5 8.690 8.690 8.059 0.631 17869
361 1 16 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.568 -0.138 17869
362 1 16 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.716 -0.496 17869
363 1 16 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.264 0.936 17869
364 1 16 . 1 1 7 7 LEU N N 7 121.600 121.600 122.035 -0.435 17869
365 1 16 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.445 -0.365 17869
366 1 16 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.799 0.691 17869
367 1 16 . 1 1 7 7 LEU CB C 7 42.570 42.570 42.120 0.450 17869
368 1 16 . 1 1 7 7 LEU H H 7 8.160 8.160 8.057 0.103 17869
369 1 17 . 1 1 3 3 THR N N 3 113.700 113.700 112.608 1.092 17869
370 1 17 . 1 1 3 3 THR HA H 3 4.720 4.720 5.055 -0.335 17869
371 1 17 . 1 1 3 3 THR CA C 3 59.970 59.970 61.441 -1.471 17869
372 1 17 . 1 1 3 3 THR CB C 3 79.750 79.750 71.014 8.736 17869
373 1 17 . 1 1 3 3 THR H H 3 8.590 8.590 8.856 -0.266 17869
374 1 17 . 1 1 4 4 THR N N 4 112.800 112.800 113.184 -0.384 17869
375 1 17 . 1 1 4 4 THR HA H 4 4.780 4.780 4.763 0.017 17869
376 1 17 . 1 1 4 4 THR CA C 4 59.330 59.330 60.970 -1.640 17869
377 1 17 . 1 1 4 4 THR CB C 4 80.030 80.030 71.708 8.322 17869
378 1 17 . 1 1 4 4 THR H H 4 8.780 8.780 8.773 0.007 17869
379 1 17 . 1 1 5 5 THR N N 5 111.600 111.600 114.301 -2.701 17869
380 1 17 . 1 1 5 5 THR HA H 5 4.650 4.650 4.618 0.032 17869
381 1 17 . 1 1 5 5 THR CA C 5 58.190 58.190 59.057 -0.867 17869
382 1 17 . 1 1 5 5 THR CB C 5 76.870 76.870 68.924 7.946 17869
383 1 17 . 1 1 5 5 THR H H 5 8.690 8.690 8.018 0.672 17869
384 1 17 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.510 -0.080 17869
385 1 17 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.751 -0.531 17869
386 1 17 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.832 0.368 17869
387 1 17 . 1 1 7 7 LEU N N 7 121.600 121.600 126.049 -4.449 17869
388 1 17 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.287 -0.207 17869
389 1 17 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.330 0.160 17869
390 1 17 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.581 0.989 17869
391 1 17 . 1 1 7 7 LEU H H 7 8.160 8.160 8.365 -0.205 17869
392 1 18 . 1 1 3 3 THR N N 3 113.700 113.700 113.092 0.608 17869
393 1 18 . 1 1 3 3 THR HA H 3 4.720 4.720 5.057 -0.337 17869
394 1 18 . 1 1 3 3 THR CA C 3 59.970 59.970 61.124 -1.154 17869
395 1 18 . 1 1 3 3 THR CB C 3 79.750 79.750 71.575 8.175 17869
396 1 18 . 1 1 3 3 THR H H 3 8.590 8.590 8.669 -0.079 17869
397 1 18 . 1 1 4 4 THR N N 4 112.800 112.800 114.778 -1.978 17869
398 1 18 . 1 1 4 4 THR HA H 4 4.780 4.780 4.787 -0.007 17869
399 1 18 . 1 1 4 4 THR CA C 4 59.330 59.330 61.140 -1.810 17869
400 1 18 . 1 1 4 4 THR CB C 4 80.030 80.030 71.829 8.201 17869
401 1 18 . 1 1 4 4 THR H H 4 8.780 8.780 8.725 0.055 17869
402 1 18 . 1 1 5 5 THR N N 5 111.600 111.600 113.327 -1.727 17869
403 1 18 . 1 1 5 5 THR HA H 5 4.650 4.650 4.648 0.002 17869
404 1 18 . 1 1 5 5 THR CA C 5 58.190 58.190 59.273 -1.083 17869
405 1 18 . 1 1 5 5 THR CB C 5 76.870 76.870 69.956 6.914 17869
406 1 18 . 1 1 5 5 THR H H 5 8.690 8.690 7.969 0.721 17869
407 1 18 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.586 -0.156 17869
408 1 18 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.666 -0.446 17869
409 1 18 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.531 0.669 17869
410 1 18 . 1 1 7 7 LEU N N 7 121.600 121.600 123.250 -1.650 17869
411 1 18 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.394 -0.314 17869
412 1 18 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.024 0.466 17869
413 1 18 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.253 2.317 17869
414 1 18 . 1 1 7 7 LEU H H 7 8.160 8.160 8.262 -0.102 17869
415 1 19 . 1 1 3 3 THR N N 3 113.700 113.700 113.478 0.222 17869
416 1 19 . 1 1 3 3 THR HA H 3 4.720 4.720 4.630 0.090 17869
417 1 19 . 1 1 3 3 THR CA C 3 59.970 59.970 61.181 -1.211 17869
418 1 19 . 1 1 3 3 THR CB C 3 79.750 79.750 69.760 9.990 17869
419 1 19 . 1 1 3 3 THR H H 3 8.590 8.590 8.266 0.324 17869
420 1 19 . 1 1 4 4 THR N N 4 112.800 112.800 114.228 -1.428 17869
421 1 19 . 1 1 4 4 THR HA H 4 4.780 4.780 4.635 0.145 17869
422 1 19 . 1 1 4 4 THR CA C 4 59.330 59.330 61.739 -2.409 17869
423 1 19 . 1 1 4 4 THR CB C 4 80.030 80.030 70.954 9.076 17869
424 1 19 . 1 1 4 4 THR H H 4 8.780 8.780 8.075 0.705 17869
425 1 19 . 1 1 5 5 THR N N 5 111.600 111.600 115.798 -4.198 17869
426 1 19 . 1 1 5 5 THR HA H 5 4.650 4.650 4.591 0.059 17869
427 1 19 . 1 1 5 5 THR CA C 5 58.190 58.190 59.034 -0.844 17869
428 1 19 . 1 1 5 5 THR CB C 5 76.870 76.870 68.966 7.904 17869
429 1 19 . 1 1 5 5 THR H H 5 8.690 8.690 8.201 0.489 17869
430 1 19 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.404 0.026 17869
431 1 19 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.039 -0.820 17869
432 1 19 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.054 0.146 17869
433 1 19 . 1 1 7 7 LEU N N 7 121.600 121.600 124.605 -3.005 17869
434 1 19 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.220 -0.140 17869
435 1 19 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.472 0.018 17869
436 1 19 . 1 1 7 7 LEU CB C 7 42.570 42.570 39.530 3.040 17869
437 1 19 . 1 1 7 7 LEU H H 7 8.160 8.160 8.531 -0.371 17869
438 1 20 . 1 1 3 3 THR N N 3 113.700 113.700 114.234 -0.534 17869
439 1 20 . 1 1 3 3 THR HA H 3 4.720 4.720 5.110 -0.390 17869
440 1 20 . 1 1 3 3 THR CA C 3 59.970 59.970 61.446 -1.476 17869
441 1 20 . 1 1 3 3 THR CB C 3 79.750 79.750 70.169 9.581 17869
442 1 20 . 1 1 3 3 THR H H 3 8.590 8.590 8.583 0.007 17869
443 1 20 . 1 1 4 4 THR N N 4 112.800 112.800 114.336 -1.536 17869
444 1 20 . 1 1 4 4 THR HA H 4 4.780 4.780 4.955 -0.175 17869
445 1 20 . 1 1 4 4 THR CA C 4 59.330 59.330 61.409 -2.079 17869
446 1 20 . 1 1 4 4 THR CB C 4 80.030 80.030 71.227 8.803 17869
447 1 20 . 1 1 4 4 THR H H 4 8.780 8.780 8.821 -0.041 17869
448 1 20 . 1 1 5 5 THR N N 5 111.600 111.600 113.066 -1.466 17869
449 1 20 . 1 1 5 5 THR HA H 5 4.650 4.650 4.702 -0.052 17869
450 1 20 . 1 1 5 5 THR CA C 5 58.190 58.190 59.360 -1.170 17869
451 1 20 . 1 1 5 5 THR CB C 5 76.870 76.870 69.874 6.996 17869
452 1 20 . 1 1 5 5 THR H H 5 8.690 8.690 7.937 0.753 17869
453 1 20 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.604 -0.174 17869
454 1 20 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.828 -0.608 17869
455 1 20 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.886 0.314 17869
456 1 20 . 1 1 7 7 LEU N N 7 121.600 121.600 125.536 -3.936 17869
457 1 20 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.313 -0.233 17869
458 1 20 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.850 0.640 17869
459 1 20 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.766 0.804 17869
460 1 20 . 1 1 7 7 LEU H H 7 8.160 8.160 8.168 -0.008 17869
461 1 21 . 1 1 3 3 THR N N 3 113.700 113.700 114.104 -0.404 17869
462 1 21 . 1 1 3 3 THR HA H 3 4.720 4.720 4.574 0.146 17869
463 1 21 . 1 1 3 3 THR CA C 3 59.970 59.970 61.413 -1.442 17869
464 1 21 . 1 1 3 3 THR CB C 3 79.750 79.750 69.478 10.272 17869
465 1 21 . 1 1 3 3 THR H H 3 8.590 8.590 8.181 0.409 17869
466 1 21 . 1 1 4 4 THR N N 4 112.800 112.800 113.277 -0.477 17869
467 1 21 . 1 1 4 4 THR HA H 4 4.780 4.780 4.612 0.168 17869
468 1 21 . 1 1 4 4 THR CA C 4 59.330 59.330 61.497 -2.167 17869
469 1 21 . 1 1 4 4 THR CB C 4 80.030 80.030 71.179 8.851 17869
470 1 21 . 1 1 4 4 THR H H 4 8.780 8.780 8.093 0.687 17869
471 1 21 . 1 1 5 5 THR N N 5 111.600 111.600 114.977 -3.377 17869
472 1 21 . 1 1 5 5 THR HA H 5 4.650 4.650 4.660 -0.010 17869
473 1 21 . 1 1 5 5 THR CA C 5 58.190 58.190 58.894 -0.704 17869
474 1 21 . 1 1 5 5 THR CB C 5 76.870 76.870 69.173 7.697 17869
475 1 21 . 1 1 5 5 THR H H 5 8.690 8.690 8.156 0.534 17869
476 1 21 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.368 0.062 17869
477 1 21 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.096 -0.876 17869
478 1 21 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.553 1.647 17869
479 1 21 . 1 1 7 7 LEU N N 7 121.600 121.600 120.085 1.515 17869
480 1 21 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.364 -0.284 17869
481 1 21 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.755 0.735 17869
482 1 21 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.475 2.095 17869
483 1 21 . 1 1 7 7 LEU H H 7 8.160 8.160 8.378 -0.218 17869
484 1 22 . 1 1 3 3 THR N N 3 113.700 113.700 116.016 -2.316 17869
485 1 22 . 1 1 3 3 THR HA H 3 4.720 4.720 4.530 0.190 17869
486 1 22 . 1 1 3 3 THR CA C 3 59.970 59.970 61.589 -1.619 17869
487 1 22 . 1 1 3 3 THR CB C 3 79.750 79.750 69.962 9.788 17869
488 1 22 . 1 1 3 3 THR H H 3 8.590 8.590 8.208 0.382 17869
489 1 22 . 1 1 4 4 THR N N 4 112.800 112.800 115.687 -2.887 17869
490 1 22 . 1 1 4 4 THR HA H 4 4.780 4.780 4.550 0.230 17869
491 1 22 . 1 1 4 4 THR CA C 4 59.330 59.330 61.635 -2.305 17869
492 1 22 . 1 1 4 4 THR CB C 4 80.030 80.030 70.161 9.869 17869
493 1 22 . 1 1 4 4 THR H H 4 8.780 8.780 8.289 0.491 17869
494 1 22 . 1 1 5 5 THR N N 5 111.600 111.600 117.533 -5.933 17869
495 1 22 . 1 1 5 5 THR HA H 5 4.650 4.650 4.623 0.027 17869
496 1 22 . 1 1 5 5 THR CA C 5 58.190 58.190 59.485 -1.295 17869
497 1 22 . 1 1 5 5 THR CB C 5 76.870 76.870 68.185 8.685 17869
498 1 22 . 1 1 5 5 THR H H 5 8.690 8.690 8.362 0.328 17869
499 1 22 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.515 -0.085 17869
500 1 22 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.617 -0.397 17869
501 1 22 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.937 1.263 17869
502 1 22 . 1 1 7 7 LEU N N 7 121.600 121.600 119.559 2.041 17869
503 1 22 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.014 0.066 17869
504 1 22 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.156 0.334 17869
505 1 22 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.561 1.009 17869
506 1 22 . 1 1 7 7 LEU H H 7 8.160 8.160 7.408 0.752 17869
507 1 23 . 1 1 3 3 THR N N 3 113.700 113.700 115.843 -2.143 17869
508 1 23 . 1 1 3 3 THR HA H 3 4.720 4.720 4.602 0.118 17869
509 1 23 . 1 1 3 3 THR CA C 3 59.970 59.970 61.270 -1.300 17869
510 1 23 . 1 1 3 3 THR CB C 3 79.750 79.750 69.639 10.111 17869
511 1 23 . 1 1 3 3 THR H H 3 8.590 8.590 8.123 0.467 17869
512 1 23 . 1 1 4 4 THR N N 4 112.800 112.800 114.457 -1.657 17869
513 1 23 . 1 1 4 4 THR HA H 4 4.780 4.780 4.557 0.223 17869
514 1 23 . 1 1 4 4 THR CA C 4 59.330 59.330 61.834 -2.504 17869
515 1 23 . 1 1 4 4 THR CB C 4 80.030 80.030 70.636 9.394 17869
516 1 23 . 1 1 4 4 THR H H 4 8.780 8.780 8.245 0.535 17869
517 1 23 . 1 1 5 5 THR N N 5 111.600 111.600 117.165 -5.565 17869
518 1 23 . 1 1 5 5 THR HA H 5 4.650 4.650 4.687 -0.037 17869
519 1 23 . 1 1 5 5 THR CA C 5 58.190 58.190 58.906 -0.716 17869
520 1 23 . 1 1 5 5 THR CB C 5 76.870 76.870 68.577 8.293 17869
521 1 23 . 1 1 5 5 THR H H 5 8.690 8.690 8.195 0.495 17869
522 1 23 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.484 -0.054 17869
523 1 23 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.751 -0.531 17869
524 1 23 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.688 0.512 17869
525 1 23 . 1 1 7 7 LEU N N 7 121.600 121.600 125.774 -4.174 17869
526 1 23 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.215 -0.135 17869
527 1 23 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.211 0.279 17869
528 1 23 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.744 0.826 17869
529 1 23 . 1 1 7 7 LEU H H 7 8.160 8.160 8.334 -0.174 17869
530 1 24 . 1 1 3 3 THR N N 3 113.700 113.700 114.486 -0.786 17869
531 1 24 . 1 1 3 3 THR HA H 3 4.720 4.720 4.653 0.067 17869
532 1 24 . 1 1 3 3 THR CA C 3 59.970 59.970 61.836 -1.866 17869
533 1 24 . 1 1 3 3 THR CB C 3 79.750 79.750 70.318 9.432 17869
534 1 24 . 1 1 3 3 THR H H 3 8.590 8.590 8.252 0.338 17869
535 1 24 . 1 1 4 4 THR N N 4 112.800 112.800 116.546 -3.746 17869
536 1 24 . 1 1 4 4 THR HA H 4 4.780 4.780 4.617 0.163 17869
537 1 24 . 1 1 4 4 THR CA C 4 59.330 59.330 61.594 -2.264 17869
538 1 24 . 1 1 4 4 THR CB C 4 80.030 80.030 69.914 10.116 17869
539 1 24 . 1 1 4 4 THR H H 4 8.780 8.780 8.252 0.528 17869
540 1 24 . 1 1 5 5 THR N N 5 111.600 111.600 116.884 -5.284 17869
541 1 24 . 1 1 5 5 THR HA H 5 4.650 4.650 4.629 0.021 17869
542 1 24 . 1 1 5 5 THR CA C 5 58.190 58.190 59.247 -1.057 17869
543 1 24 . 1 1 5 5 THR CB C 5 76.870 76.870 68.179 8.691 17869
544 1 24 . 1 1 5 5 THR H H 5 8.690 8.690 8.398 0.292 17869
545 1 24 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.535 -0.105 17869
546 1 24 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.282 -0.062 17869
547 1 24 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.367 1.833 17869
548 1 24 . 1 1 7 7 LEU N N 7 121.600 121.600 120.624 0.976 17869
549 1 24 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.950 0.130 17869
550 1 24 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.239 0.251 17869
551 1 24 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.287 1.283 17869
552 1 24 . 1 1 7 7 LEU H H 7 8.160 8.160 7.784 0.376 17869
553 1 25 . 1 1 3 3 THR N N 3 113.700 113.700 114.684 -0.984 17869
554 1 25 . 1 1 3 3 THR HA H 3 4.720 4.720 5.012 -0.292 17869
555 1 25 . 1 1 3 3 THR CA C 3 59.970 59.970 61.424 -1.454 17869
556 1 25 . 1 1 3 3 THR CB C 3 79.750 79.750 70.341 9.409 17869
557 1 25 . 1 1 3 3 THR H H 3 8.590 8.590 8.565 0.025 17869
558 1 25 . 1 1 4 4 THR N N 4 112.800 112.800 113.352 -0.552 17869
559 1 25 . 1 1 4 4 THR HA H 4 4.780 4.780 4.673 0.107 17869
560 1 25 . 1 1 4 4 THR CA C 4 59.330 59.330 61.189 -1.859 17869
561 1 25 . 1 1 4 4 THR CB C 4 80.030 80.030 71.319 8.711 17869
562 1 25 . 1 1 4 4 THR H H 4 8.780 8.780 8.417 0.363 17869
563 1 25 . 1 1 5 5 THR N N 5 111.600 111.600 114.922 -3.322 17869
564 1 25 . 1 1 5 5 THR HA H 5 4.650 4.650 4.641 0.009 17869
565 1 25 . 1 1 5 5 THR CA C 5 58.190 58.190 59.889 -1.699 17869
566 1 25 . 1 1 5 5 THR CB C 5 76.870 76.870 68.665 8.206 17869
567 1 25 . 1 1 5 5 THR H H 5 8.690 8.690 8.098 0.592 17869
568 1 25 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.471 -0.041 17869
569 1 25 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.715 -0.495 17869
570 1 25 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.479 0.721 17869
571 1 25 . 1 1 7 7 LEU N N 7 121.600 121.600 125.083 -3.483 17869
572 1 25 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.248 -0.168 17869
573 1 25 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.525 -0.035 17869
574 1 25 . 1 1 7 7 LEU CB C 7 42.570 42.570 42.565 0.005 17869
575 1 25 . 1 1 7 7 LEU H H 7 8.160 8.160 8.334 -0.174 17869
576 1 26 . 1 1 3 3 THR N N 3 113.700 113.700 114.063 -0.363 17869
577 1 26 . 1 1 3 3 THR HA H 3 4.720 4.720 4.580 0.140 17869
578 1 26 . 1 1 3 3 THR CA C 3 59.970 59.970 61.247 -1.277 17869
579 1 26 . 1 1 3 3 THR CB C 3 79.750 79.750 71.016 8.734 17869
580 1 26 . 1 1 3 3 THR H H 3 8.590 8.590 7.803 0.787 17869
581 1 26 . 1 1 4 4 THR N N 4 112.800 112.800 115.815 -3.015 17869
582 1 26 . 1 1 4 4 THR HA H 4 4.780 4.780 4.638 0.142 17869
583 1 26 . 1 1 4 4 THR CA C 4 59.330 59.330 61.487 -2.157 17869
584 1 26 . 1 1 4 4 THR CB C 4 80.030 80.030 69.740 10.290 17869
585 1 26 . 1 1 4 4 THR H H 4 8.780 8.780 8.198 0.582 17869
586 1 26 . 1 1 5 5 THR N N 5 111.600 111.600 116.332 -4.732 17869
587 1 26 . 1 1 5 5 THR HA H 5 4.650 4.650 4.620 0.030 17869
588 1 26 . 1 1 5 5 THR CA C 5 58.190 58.190 59.377 -1.187 17869
589 1 26 . 1 1 5 5 THR CB C 5 76.870 76.870 69.430 7.440 17869
590 1 26 . 1 1 5 5 THR H H 5 8.690 8.690 8.120 0.570 17869
591 1 26 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.347 0.083 17869
592 1 26 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.589 -0.369 17869
593 1 26 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.080 0.120 17869
594 1 26 . 1 1 7 7 LEU N N 7 121.600 121.600 120.224 1.376 17869
595 1 26 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.213 -0.133 17869
596 1 26 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.126 0.364 17869
597 1 26 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.809 0.760 17869
598 1 26 . 1 1 7 7 LEU H H 7 8.160 8.160 8.215 -0.055 17869
599 1 27 . 1 1 3 3 THR N N 3 113.700 113.700 115.687 -1.987 17869
600 1 27 . 1 1 3 3 THR HA H 3 4.720 4.720 4.621 0.099 17869
601 1 27 . 1 1 3 3 THR CA C 3 59.970 59.970 61.390 -1.420 17869
602 1 27 . 1 1 3 3 THR CB C 3 79.750 79.750 69.859 9.891 17869
603 1 27 . 1 1 3 3 THR H H 3 8.590 8.590 8.270 0.320 17869
604 1 27 . 1 1 4 4 THR N N 4 112.800 112.800 112.706 0.094 17869
605 1 27 . 1 1 4 4 THR HA H 4 4.780 4.780 4.623 0.157 17869
606 1 27 . 1 1 4 4 THR CA C 4 59.330 59.330 61.511 -2.181 17869
607 1 27 . 1 1 4 4 THR CB C 4 80.030 80.030 70.834 9.196 17869
608 1 27 . 1 1 4 4 THR H H 4 8.780 8.780 8.027 0.753 17869
609 1 27 . 1 1 5 5 THR N N 5 111.600 111.600 115.863 -4.263 17869
610 1 27 . 1 1 5 5 THR HA H 5 4.650 4.650 4.705 -0.055 17869
611 1 27 . 1 1 5 5 THR CA C 5 58.190 58.190 59.265 -1.075 17869
612 1 27 . 1 1 5 5 THR CB C 5 76.870 76.870 69.212 7.659 17869
613 1 27 . 1 1 5 5 THR H H 5 8.690 8.690 8.260 0.430 17869
614 1 27 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.330 0.100 17869
615 1 27 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.843 -0.623 17869
616 1 27 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.859 0.341 17869
617 1 27 . 1 1 7 7 LEU N N 7 121.600 121.600 125.839 -4.239 17869
618 1 27 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.208 -0.128 17869
619 1 27 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.648 -0.158 17869
620 1 27 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.076 2.494 17869
621 1 27 . 1 1 7 7 LEU H H 7 8.160 8.160 8.533 -0.373 17869
622 1 28 . 1 1 3 3 THR N N 3 113.700 113.700 113.664 0.036 17869
623 1 28 . 1 1 3 3 THR HA H 3 4.720 4.720 4.571 0.149 17869
624 1 28 . 1 1 3 3 THR CA C 3 59.970 59.970 61.161 -1.191 17869
625 1 28 . 1 1 3 3 THR CB C 3 79.750 79.750 70.126 9.624 17869
626 1 28 . 1 1 3 3 THR H H 3 8.590 8.590 8.120 0.470 17869
627 1 28 . 1 1 4 4 THR N N 4 112.800 112.800 116.193 -3.393 17869
628 1 28 . 1 1 4 4 THR HA H 4 4.780 4.780 4.596 0.184 17869
629 1 28 . 1 1 4 4 THR CA C 4 59.330 59.330 61.362 -2.033 17869
630 1 28 . 1 1 4 4 THR CB C 4 80.030 80.030 70.008 10.022 17869
631 1 28 . 1 1 4 4 THR H H 4 8.780 8.780 8.107 0.673 17869
632 1 28 . 1 1 5 5 THR N N 5 111.600 111.600 116.588 -4.988 17869
633 1 28 . 1 1 5 5 THR HA H 5 4.650 4.650 4.552 0.098 17869
634 1 28 . 1 1 5 5 THR CA C 5 58.190 58.190 59.585 -1.395 17869
635 1 28 . 1 1 5 5 THR CB C 5 76.870 76.870 69.086 7.784 17869
636 1 28 . 1 1 5 5 THR H H 5 8.690 8.690 8.308 0.382 17869
637 1 28 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.372 0.058 17869
638 1 28 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.095 -0.875 17869
639 1 28 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.699 0.501 17869
640 1 28 . 1 1 7 7 LEU N N 7 121.600 121.600 124.263 -2.663 17869
641 1 28 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.204 -0.124 17869
642 1 28 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.233 0.257 17869
643 1 28 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.726 0.844 17869
644 1 28 . 1 1 7 7 LEU H H 7 8.160 8.160 8.102 0.058 17869
645 1 29 . 1 1 3 3 THR N N 3 113.700 113.700 114.110 -0.410 17869
646 1 29 . 1 1 3 3 THR HA H 3 4.720 4.720 5.162 -0.442 17869
647 1 29 . 1 1 3 3 THR CA C 3 59.970 59.970 61.479 -1.509 17869
648 1 29 . 1 1 3 3 THR CB C 3 79.750 79.750 70.910 8.840 17869
649 1 29 . 1 1 3 3 THR H H 3 8.590 8.590 8.357 0.233 17869
650 1 29 . 1 1 4 4 THR N N 4 112.800 112.800 113.544 -0.744 17869
651 1 29 . 1 1 4 4 THR HA H 4 4.780 4.780 4.910 -0.130 17869
652 1 29 . 1 1 4 4 THR CA C 4 59.330 59.330 61.349 -2.018 17869
653 1 29 . 1 1 4 4 THR CB C 4 80.030 80.030 71.229 8.801 17869
654 1 29 . 1 1 4 4 THR H H 4 8.780 8.780 8.843 -0.063 17869
655 1 29 . 1 1 5 5 THR N N 5 111.600 111.600 113.943 -2.343 17869
656 1 29 . 1 1 5 5 THR HA H 5 4.650 4.650 4.587 0.063 17869
657 1 29 . 1 1 5 5 THR CA C 5 58.190 58.190 60.164 -1.974 17869
658 1 29 . 1 1 5 5 THR CB C 5 76.870 76.870 69.649 7.221 17869
659 1 29 . 1 1 5 5 THR H H 5 8.690 8.690 7.928 0.762 17869
660 1 29 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.599 -0.169 17869
661 1 29 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.566 -0.346 17869
662 1 29 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.384 -0.184 17869
663 1 29 . 1 1 7 7 LEU N N 7 121.600 121.600 123.771 -2.171 17869
664 1 29 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.295 -0.215 17869
665 1 29 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.900 0.590 17869
666 1 29 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.937 0.633 17869
667 1 29 . 1 1 7 7 LEU H H 7 8.160 8.160 8.033 0.127 17869
668 1 30 . 1 1 3 3 THR N N 3 113.700 113.700 115.600 -1.900 17869
669 1 30 . 1 1 3 3 THR HA H 3 4.720 4.720 4.518 0.202 17869
670 1 30 . 1 1 3 3 THR CA C 3 59.970 59.970 61.646 -1.676 17869
671 1 30 . 1 1 3 3 THR CB C 3 79.750 79.750 69.833 9.917 17869
672 1 30 . 1 1 3 3 THR H H 3 8.590 8.590 7.914 0.676 17869
673 1 30 . 1 1 4 4 THR N N 4 112.800 112.800 114.138 -1.338 17869
674 1 30 . 1 1 4 4 THR HA H 4 4.780 4.780 4.554 0.226 17869
675 1 30 . 1 1 4 4 THR CA C 4 59.330 59.330 61.437 -2.107 17869
676 1 30 . 1 1 4 4 THR CB C 4 80.030 80.030 70.046 9.984 17869
677 1 30 . 1 1 4 4 THR H H 4 8.780 8.780 8.203 0.577 17869
678 1 30 . 1 1 5 5 THR N N 5 111.600 111.600 116.604 -5.004 17869
679 1 30 . 1 1 5 5 THR HA H 5 4.650 4.650 4.674 -0.024 17869
680 1 30 . 1 1 5 5 THR CA C 5 58.190 58.190 58.620 -0.430 17869
681 1 30 . 1 1 5 5 THR CB C 5 76.870 76.870 68.849 8.021 17869
682 1 30 . 1 1 5 5 THR H H 5 8.690 8.690 8.263 0.427 17869
683 1 30 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.550 -0.120 17869
684 1 30 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.828 -0.608 17869
685 1 30 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.748 1.452 17869
686 1 30 . 1 1 7 7 LEU N N 7 121.600 121.600 120.724 0.876 17869
687 1 30 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.307 -0.227 17869
688 1 30 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.711 0.779 17869
689 1 30 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.492 2.078 17869
690 1 30 . 1 1 7 7 LEU H H 7 8.160 8.160 8.324 -0.164 17869
691 1 31 . 1 1 3 3 THR N N 3 113.700 113.700 113.046 0.654 17869
692 1 31 . 1 1 3 3 THR HA H 3 4.720 4.720 5.040 -0.320 17869
693 1 31 . 1 1 3 3 THR CA C 3 59.970 59.970 61.566 -1.596 17869
694 1 31 . 1 1 3 3 THR CB C 3 79.750 79.750 70.389 9.361 17869
695 1 31 . 1 1 3 3 THR H H 3 8.590 8.590 8.749 -0.159 17869
696 1 31 . 1 1 4 4 THR N N 4 112.800 112.800 114.580 -1.780 17869
697 1 31 . 1 1 4 4 THR HA H 4 4.780 4.780 4.622 0.158 17869
698 1 31 . 1 1 4 4 THR CA C 4 59.330 59.330 61.403 -2.073 17869
699 1 31 . 1 1 4 4 THR CB C 4 80.030 80.030 70.695 9.335 17869
700 1 31 . 1 1 4 4 THR H H 4 8.780 8.780 8.010 0.770 17869
701 1 31 . 1 1 5 5 THR N N 5 111.600 111.600 113.890 -2.290 17869
702 1 31 . 1 1 5 5 THR HA H 5 4.650 4.650 4.669 -0.019 17869
703 1 31 . 1 1 5 5 THR CA C 5 58.190 58.190 59.063 -0.874 17869
704 1 31 . 1 1 5 5 THR CB C 5 76.870 76.870 69.016 7.854 17869
705 1 31 . 1 1 5 5 THR H H 5 8.690 8.690 8.058 0.632 17869
706 1 31 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.259 0.171 17869
707 1 31 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.377 -1.157 17869
708 1 31 . 1 1 6 6 PRO CB C 6 32.200 32.200 29.730 2.470 17869
709 1 31 . 1 1 7 7 LEU N N 7 121.600 121.600 119.915 1.685 17869
710 1 31 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.929 0.151 17869
711 1 31 . 1 1 7 7 LEU CA C 7 55.490 55.490 56.718 -1.228 17869
712 1 31 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.326 1.244 17869
713 1 31 . 1 1 7 7 LEU H H 7 8.160 8.160 8.419 -0.259 17869
714 1 32 . 1 1 3 3 THR N N 3 113.700 113.700 115.055 -1.355 17869
715 1 32 . 1 1 3 3 THR HA H 3 4.720 4.720 4.587 0.133 17869
716 1 32 . 1 1 3 3 THR CA C 3 59.970 59.970 61.417 -1.447 17869
717 1 32 . 1 1 3 3 THR CB C 3 79.750 79.750 71.022 8.728 17869
718 1 32 . 1 1 3 3 THR H H 3 8.590 8.590 8.147 0.443 17869
719 1 32 . 1 1 4 4 THR N N 4 112.800 112.800 114.825 -2.025 17869
720 1 32 . 1 1 4 4 THR HA H 4 4.780 4.780 4.622 0.158 17869
721 1 32 . 1 1 4 4 THR CA C 4 59.330 59.330 61.651 -2.321 17869
722 1 32 . 1 1 4 4 THR CB C 4 80.030 80.030 69.769 10.261 17869
723 1 32 . 1 1 4 4 THR H H 4 8.780 8.780 8.135 0.645 17869
724 1 32 . 1 1 5 5 THR N N 5 111.600 111.600 116.510 -4.910 17869
725 1 32 . 1 1 5 5 THR HA H 5 4.650 4.650 4.674 -0.024 17869
726 1 32 . 1 1 5 5 THR CA C 5 58.190 58.190 59.267 -1.077 17869
727 1 32 . 1 1 5 5 THR CB C 5 76.870 76.870 69.215 7.655 17869
728 1 32 . 1 1 5 5 THR H H 5 8.690 8.690 8.261 0.429 17869
729 1 32 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.368 0.062 17869
730 1 32 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.132 -0.912 17869
731 1 32 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.706 0.494 17869
732 1 32 . 1 1 7 7 LEU N N 7 121.600 121.600 124.926 -3.326 17869
733 1 32 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.185 -0.105 17869
734 1 32 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.435 0.055 17869
735 1 32 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.952 0.618 17869
736 1 32 . 1 1 7 7 LEU H H 7 8.160 8.160 8.052 0.108 17869
737 1 33 . 1 1 3 3 THR N N 3 113.700 113.700 116.571 -2.871 17869
738 1 33 . 1 1 3 3 THR HA H 3 4.720 4.720 4.597 0.123 17869
739 1 33 . 1 1 3 3 THR CA C 3 59.970 59.970 61.664 -1.694 17869
740 1 33 . 1 1 3 3 THR CB C 3 79.750 79.750 69.582 10.168 17869
741 1 33 . 1 1 3 3 THR H H 3 8.590 8.590 8.187 0.403 17869
742 1 33 . 1 1 4 4 THR N N 4 112.800 112.800 116.463 -3.663 17869
743 1 33 . 1 1 4 4 THR HA H 4 4.780 4.780 4.507 0.273 17869
744 1 33 . 1 1 4 4 THR CA C 4 59.330 59.330 61.513 -2.183 17869
745 1 33 . 1 1 4 4 THR CB C 4 80.030 80.030 70.225 9.806 17869
746 1 33 . 1 1 4 4 THR H H 4 8.780 8.780 8.393 0.387 17869
747 1 33 . 1 1 5 5 THR N N 5 111.600 111.600 115.345 -3.745 17869
748 1 33 . 1 1 5 5 THR HA H 5 4.650 4.650 4.631 0.019 17869
749 1 33 . 1 1 5 5 THR CA C 5 58.190 58.190 59.419 -1.229 17869
750 1 33 . 1 1 5 5 THR CB C 5 76.870 76.870 68.259 8.611 17869
751 1 33 . 1 1 5 5 THR H H 5 8.690 8.690 8.141 0.549 17869
752 1 33 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.589 -0.159 17869
753 1 33 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.779 -0.559 17869
754 1 33 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.747 0.453 17869
755 1 33 . 1 1 7 7 LEU N N 7 121.600 121.600 126.240 -4.640 17869
756 1 33 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.239 -0.159 17869
757 1 33 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.337 0.153 17869
758 1 33 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.661 1.909 17869
759 1 33 . 1 1 7 7 LEU H H 7 8.160 8.160 8.607 -0.447 17869
760 1 34 . 1 1 3 3 THR N N 3 113.700 113.700 115.018 -1.318 17869
761 1 34 . 1 1 3 3 THR HA H 3 4.720 4.720 5.026 -0.306 17869
762 1 34 . 1 1 3 3 THR CA C 3 59.970 59.970 61.761 -1.791 17869
763 1 34 . 1 1 3 3 THR CB C 3 79.750 79.750 69.425 10.325 17869
764 1 34 . 1 1 3 3 THR H H 3 8.590 8.590 8.452 0.138 17869
765 1 34 . 1 1 4 4 THR N N 4 112.800 112.800 114.449 -1.649 17869
766 1 34 . 1 1 4 4 THR HA H 4 4.780 4.780 4.682 0.098 17869
767 1 34 . 1 1 4 4 THR CA C 4 59.330 59.330 61.256 -1.926 17869
768 1 34 . 1 1 4 4 THR CB C 4 80.030 80.030 70.990 9.040 17869
769 1 34 . 1 1 4 4 THR H H 4 8.780 8.780 8.552 0.228 17869
770 1 34 . 1 1 5 5 THR N N 5 111.600 111.600 115.138 -3.538 17869
771 1 34 . 1 1 5 5 THR HA H 5 4.650 4.650 4.674 -0.024 17869
772 1 34 . 1 1 5 5 THR CA C 5 58.190 58.190 59.455 -1.265 17869
773 1 34 . 1 1 5 5 THR CB C 5 76.870 76.870 68.585 8.285 17869
774 1 34 . 1 1 5 5 THR H H 5 8.690 8.690 7.947 0.743 17869
775 1 34 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.508 -0.078 17869
776 1 34 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.783 -0.563 17869
777 1 34 . 1 1 6 6 PRO CB C 6 32.200 32.200 32.250 -0.050 17869
778 1 34 . 1 1 7 7 LEU N N 7 121.600 121.600 125.782 -4.182 17869
779 1 34 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.281 -0.201 17869
780 1 34 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.400 0.090 17869
781 1 34 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.646 0.924 17869
782 1 34 . 1 1 7 7 LEU H H 7 8.160 8.160 8.319 -0.159 17869
783 1 35 . 1 1 3 3 THR N N 3 113.700 113.700 113.403 0.297 17869
784 1 35 . 1 1 3 3 THR HA H 3 4.720 4.720 4.569 0.151 17869
785 1 35 . 1 1 3 3 THR CA C 3 59.970 59.970 61.197 -1.228 17869
786 1 35 . 1 1 3 3 THR CB C 3 79.750 79.750 70.683 9.067 17869
787 1 35 . 1 1 3 3 THR H H 3 8.590 8.590 8.172 0.418 17869
788 1 35 . 1 1 4 4 THR N N 4 112.800 112.800 116.022 -3.222 17869
789 1 35 . 1 1 4 4 THR HA H 4 4.780 4.780 4.606 0.174 17869
790 1 35 . 1 1 4 4 THR CA C 4 59.330 59.330 61.524 -2.194 17869
791 1 35 . 1 1 4 4 THR CB C 4 80.030 80.030 69.848 10.182 17869
792 1 35 . 1 1 4 4 THR H H 4 8.780 8.780 8.146 0.634 17869
793 1 35 . 1 1 5 5 THR N N 5 111.600 111.600 115.754 -4.154 17869
794 1 35 . 1 1 5 5 THR HA H 5 4.650 4.650 4.563 0.087 17869
795 1 35 . 1 1 5 5 THR CA C 5 58.190 58.190 58.452 -0.262 17869
796 1 35 . 1 1 5 5 THR CB C 5 76.870 76.870 68.880 7.990 17869
797 1 35 . 1 1 5 5 THR H H 5 8.690 8.690 8.201 0.489 17869
798 1 35 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.380 0.050 17869
799 1 35 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.245 -1.026 17869
800 1 35 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.169 2.031 17869
801 1 35 . 1 1 7 7 LEU N N 7 121.600 121.600 121.921 -0.321 17869
802 1 35 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.295 -0.215 17869
803 1 35 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.443 1.047 17869
804 1 35 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.923 0.647 17869
805 1 35 . 1 1 7 7 LEU H H 7 8.160 8.160 7.897 0.263 17869
806 1 36 . 1 1 3 3 THR N N 3 113.700 113.700 115.488 -1.788 17869
807 1 36 . 1 1 3 3 THR HA H 3 4.720 4.720 4.585 0.135 17869
808 1 36 . 1 1 3 3 THR CA C 3 59.970 59.970 61.575 -1.605 17869
809 1 36 . 1 1 3 3 THR CB C 3 79.750 79.750 69.431 10.319 17869
810 1 36 . 1 1 3 3 THR H H 3 8.590 8.590 8.201 0.389 17869
811 1 36 . 1 1 4 4 THR N N 4 112.800 112.800 114.889 -2.089 17869
812 1 36 . 1 1 4 4 THR HA H 4 4.780 4.780 4.545 0.235 17869
813 1 36 . 1 1 4 4 THR CA C 4 59.330 59.330 61.546 -2.216 17869
814 1 36 . 1 1 4 4 THR CB C 4 80.030 80.030 69.968 10.062 17869
815 1 36 . 1 1 4 4 THR H H 4 8.780 8.780 8.163 0.617 17869
816 1 36 . 1 1 5 5 THR N N 5 111.600 111.600 114.474 -2.874 17869
817 1 36 . 1 1 5 5 THR HA H 5 4.650 4.650 4.667 -0.017 17869
818 1 36 . 1 1 5 5 THR CA C 5 58.190 58.190 58.839 -0.649 17869
819 1 36 . 1 1 5 5 THR CB C 5 76.870 76.870 68.897 7.973 17869
820 1 36 . 1 1 5 5 THR H H 5 8.690 8.690 8.145 0.545 17869
821 1 36 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.358 0.072 17869
822 1 36 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.176 -0.956 17869
823 1 36 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.412 1.788 17869
824 1 36 . 1 1 7 7 LEU N N 7 121.600 121.600 121.725 -0.125 17869
825 1 36 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.335 -0.255 17869
826 1 36 . 1 1 7 7 LEU CA C 7 55.490 55.490 54.611 0.879 17869
827 1 36 . 1 1 7 7 LEU CB C 7 42.570 42.570 42.353 0.217 17869
828 1 36 . 1 1 7 7 LEU H H 7 8.160 8.160 7.957 0.203 17869
829 1 37 . 1 1 3 3 THR N N 3 113.700 113.700 115.040 -1.340 17869
830 1 37 . 1 1 3 3 THR HA H 3 4.720 4.720 4.536 0.184 17869
831 1 37 . 1 1 3 3 THR CA C 3 59.970 59.970 61.598 -1.628 17869
832 1 37 . 1 1 3 3 THR CB C 3 79.750 79.750 70.495 9.255 17869
833 1 37 . 1 1 3 3 THR H H 3 8.590 8.590 8.114 0.476 17869
834 1 37 . 1 1 4 4 THR N N 4 112.800 112.800 116.908 -4.108 17869
835 1 37 . 1 1 4 4 THR HA H 4 4.780 4.780 4.567 0.213 17869
836 1 37 . 1 1 4 4 THR CA C 4 59.330 59.330 61.493 -2.163 17869
837 1 37 . 1 1 4 4 THR CB C 4 80.030 80.030 69.827 10.203 17869
838 1 37 . 1 1 4 4 THR H H 4 8.780 8.780 8.186 0.594 17869
839 1 37 . 1 1 5 5 THR N N 5 111.600 111.600 116.559 -4.959 17869
840 1 37 . 1 1 5 5 THR HA H 5 4.650 4.650 4.565 0.085 17869
841 1 37 . 1 1 5 5 THR CA C 5 58.190 58.190 59.650 -1.460 17869
842 1 37 . 1 1 5 5 THR CB C 5 76.870 76.870 68.972 7.898 17869
843 1 37 . 1 1 5 5 THR H H 5 8.690 8.690 8.238 0.452 17869
844 1 37 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.384 0.046 17869
845 1 37 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.141 -0.921 17869
846 1 37 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.746 0.454 17869
847 1 37 . 1 1 7 7 LEU N N 7 121.600 121.600 124.095 -2.495 17869
848 1 37 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.256 -0.176 17869
849 1 37 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.330 0.160 17869
850 1 37 . 1 1 7 7 LEU CB C 7 42.570 42.570 39.613 2.957 17869
851 1 37 . 1 1 7 7 LEU H H 7 8.160 8.160 8.424 -0.264 17869
852 1 38 . 1 1 3 3 THR N N 3 113.700 113.700 116.092 -2.392 17869
853 1 38 . 1 1 3 3 THR HA H 3 4.720 4.720 4.589 0.131 17869
854 1 38 . 1 1 3 3 THR CA C 3 59.970 59.970 61.261 -1.291 17869
855 1 38 . 1 1 3 3 THR CB C 3 79.750 79.750 69.600 10.150 17869
856 1 38 . 1 1 3 3 THR H H 3 8.590 8.590 8.170 0.420 17869
857 1 38 . 1 1 4 4 THR N N 4 112.800 112.800 113.856 -1.056 17869
858 1 38 . 1 1 4 4 THR HA H 4 4.780 4.780 4.569 0.211 17869
859 1 38 . 1 1 4 4 THR CA C 4 59.330 59.330 61.835 -2.505 17869
860 1 38 . 1 1 4 4 THR CB C 4 80.030 80.030 70.580 9.450 17869
861 1 38 . 1 1 4 4 THR H H 4 8.780 8.780 8.200 0.580 17869
862 1 38 . 1 1 5 5 THR N N 5 111.600 111.600 116.670 -5.070 17869
863 1 38 . 1 1 5 5 THR HA H 5 4.650 4.650 4.709 -0.059 17869
864 1 38 . 1 1 5 5 THR CA C 5 58.190 58.190 58.576 -0.386 17869
865 1 38 . 1 1 5 5 THR CB C 5 76.870 76.870 68.842 8.028 17869
866 1 38 . 1 1 5 5 THR H H 5 8.690 8.690 8.219 0.471 17869
867 1 38 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.500 -0.070 17869
868 1 38 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.365 -0.145 17869
869 1 38 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.674 1.526 17869
870 1 38 . 1 1 7 7 LEU N N 7 121.600 121.600 119.567 2.033 17869
871 1 38 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.973 0.107 17869
872 1 38 . 1 1 7 7 LEU CA C 7 55.490 55.490 56.411 -0.921 17869
873 1 38 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.799 1.771 17869
874 1 38 . 1 1 7 7 LEU H H 7 8.160 8.160 7.788 0.372 17869
875 1 39 . 1 1 3 3 THR N N 3 113.700 113.700 113.273 0.427 17869
876 1 39 . 1 1 3 3 THR HA H 3 4.720 4.720 4.916 -0.196 17869
877 1 39 . 1 1 3 3 THR CA C 3 59.970 59.970 61.223 -1.253 17869
878 1 39 . 1 1 3 3 THR CB C 3 79.750 79.750 71.921 7.829 17869
879 1 39 . 1 1 3 3 THR H H 3 8.590 8.590 8.735 -0.145 17869
880 1 39 . 1 1 4 4 THR N N 4 112.800 112.800 114.840 -2.040 17869
881 1 39 . 1 1 4 4 THR HA H 4 4.780 4.780 4.922 -0.142 17869
882 1 39 . 1 1 4 4 THR CA C 4 59.330 59.330 61.158 -1.828 17869
883 1 39 . 1 1 4 4 THR CB C 4 80.030 80.030 70.652 9.378 17869
884 1 39 . 1 1 4 4 THR H H 4 8.780 8.780 8.549 0.231 17869
885 1 39 . 1 1 5 5 THR N N 5 111.600 111.600 111.870 -0.270 17869
886 1 39 . 1 1 5 5 THR HA H 5 4.650 4.650 4.572 0.078 17869
887 1 39 . 1 1 5 5 THR CA C 5 58.190 58.190 59.191 -1.002 17869
888 1 39 . 1 1 5 5 THR CB C 5 76.870 76.870 69.966 6.904 17869
889 1 39 . 1 1 5 5 THR H H 5 8.690 8.690 8.073 0.617 17869
890 1 39 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.216 0.214 17869
891 1 39 . 1 1 6 6 PRO CA C 6 62.220 62.220 63.094 -0.874 17869
892 1 39 . 1 1 6 6 PRO CB C 6 32.200 32.200 30.368 1.832 17869
893 1 39 . 1 1 7 7 LEU N N 7 121.600 121.600 120.416 1.184 17869
894 1 39 . 1 1 7 7 LEU HA H 7 4.080 4.080 3.913 0.167 17869
895 1 39 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.432 0.058 17869
896 1 39 . 1 1 7 7 LEU CB C 7 42.570 42.570 40.536 2.034 17869
897 1 39 . 1 1 7 7 LEU H H 7 8.160 8.160 8.656 -0.496 17869
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 3.515 3.221 1.624 17869
2 1 1 "Average Difference" HA 5 0.137 -0.061 0.137 17869
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17869
4 1 1 "Average Difference" CA 5 1.328 1.011 0.963 17869
5 1 1 "Average Difference" CB 5 7.084 -5.719 4.673 17869
6 1 1 "Average Difference" HN 4 0.452 -0.334 0.351 17869
7 1 2 "Average Difference" N 4 2.753 1.694 2.507 17869
8 1 2 "Average Difference" HA 5 0.167 -0.046 0.180 17869
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17869
10 1 2 "Average Difference" CA 5 1.252 0.782 1.093 17869
11 1 2 "Average Difference" CB 5 7.198 -5.708 4.903 17869
12 1 2 "Average Difference" HN 4 0.458 -0.380 0.296 17869
13 1 3 "Average Difference" N 4 3.282 1.238 3.510 17869
14 1 3 "Average Difference" HA 5 0.109 -0.063 0.099 17869
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17869
16 1 3 "Average Difference" CA 5 1.427 1.117 0.994 17869
17 1 3 "Average Difference" CB 5 7.202 -6.205 4.086 17869
18 1 3 "Average Difference" HN 4 0.502 -0.492 0.116 17869
19 1 4 "Average Difference" N 4 2.497 1.290 2.468 17869
20 1 4 "Average Difference" HA 5 0.154 -0.138 0.077 17869
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17869
22 1 4 "Average Difference" CA 5 1.265 1.061 0.772 17869
23 1 4 "Average Difference" CB 5 7.139 -6.271 3.814 17869
24 1 4 "Average Difference" HN 4 0.464 -0.317 0.391 17869
25 1 5 "Average Difference" N 4 3.199 2.784 1.821 17869
26 1 5 "Average Difference" HA 5 0.119 -0.086 0.092 17869
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17869
28 1 5 "Average Difference" CA 5 1.459 1.251 0.839 17869
29 1 5 "Average Difference" CB 5 7.018 -5.609 4.716 17869
30 1 5 "Average Difference" HN 4 0.444 -0.328 0.345 17869
31 1 6 "Average Difference" N 4 2.956 2.751 1.249 17869
32 1 6 "Average Difference" HA 5 0.144 -0.060 0.146 17869
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17869
34 1 6 "Average Difference" CA 5 1.185 1.003 0.705 17869
35 1 6 "Average Difference" CB 5 7.352 -6.171 4.468 17869
36 1 6 "Average Difference" HN 4 0.511 -0.303 0.475 17869
37 1 7 "Average Difference" N 4 2.128 1.488 1.757 17869
38 1 7 "Average Difference" HA 5 0.185 0.126 0.152 17869
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17869
40 1 7 "Average Difference" CA 5 1.451 1.290 0.742 17869
41 1 7 "Average Difference" CB 5 6.552 -5.238 4.401 17869
42 1 7 "Average Difference" HN 4 0.347 -0.145 0.364 17869
43 1 8 "Average Difference" N 4 1.236 1.052 0.751 17869
44 1 8 "Average Difference" HA 5 0.205 0.027 0.227 17869
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17869
46 1 8 "Average Difference" CA 5 1.454 1.299 0.731 17869
47 1 8 "Average Difference" CB 5 6.556 -5.648 3.722 17869
48 1 8 "Average Difference" HN 4 0.379 -0.085 0.426 17869
49 1 9 "Average Difference" N 4 1.252 0.708 1.192 17869
50 1 9 "Average Difference" HA 5 0.174 0.151 0.096 17869
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17869
52 1 9 "Average Difference" CA 5 1.510 1.058 1.204 17869
53 1 9 "Average Difference" CB 5 6.568 -5.227 4.447 17869
54 1 9 "Average Difference" HN 4 0.374 -0.137 0.401 17869
55 1 10 "Average Difference" N 4 3.429 3.343 0.881 17869
56 1 10 "Average Difference" HA 5 0.160 -0.102 0.138 17869
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17869
58 1 10 "Average Difference" CA 5 1.255 1.053 0.762 17869
59 1 10 "Average Difference" CB 5 7.428 -6.185 4.599 17869
60 1 10 "Average Difference" HN 4 0.486 -0.383 0.346 17869
61 1 11 "Average Difference" N 4 1.840 1.491 1.246 17869
62 1 11 "Average Difference" HA 5 0.212 0.002 0.237 17869
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17869
64 1 11 "Average Difference" CA 5 1.324 1.243 0.511 17869
65 1 11 "Average Difference" CB 5 6.933 -5.956 3.966 17869
66 1 11 "Average Difference" HN 4 0.323 -0.268 0.207 17869
67 1 12 "Average Difference" N 4 4.543 -0.661 5.190 17869
68 1 12 "Average Difference" HA 5 0.318 0.152 0.313 17869
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17869
70 1 12 "Average Difference" CA 5 1.749 0.987 1.614 17869
71 1 12 "Average Difference" CB 5 6.773 -4.944 5.176 17869
72 1 12 "Average Difference" HN 4 0.511 -0.230 0.526 17869
73 1 13 "Average Difference" N 4 2.162 0.276 2.476 17869
74 1 13 "Average Difference" HA 5 0.129 -0.018 0.143 17869
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17869
76 1 13 "Average Difference" CA 5 1.322 0.993 0.976 17869
77 1 13 "Average Difference" CB 5 7.111 -5.934 4.381 17869
78 1 13 "Average Difference" HN 4 0.458 -0.386 0.284 17869
79 1 14 "Average Difference" N 4 1.458 0.297 1.649 17869
80 1 14 "Average Difference" HA 5 0.169 0.110 0.144 17869
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17869
82 1 14 "Average Difference" CA 5 1.532 1.221 1.036 17869
83 1 14 "Average Difference" CB 5 6.550 -5.751 3.506 17869
84 1 14 "Average Difference" HN 4 0.374 -0.181 0.378 17869
85 1 15 "Average Difference" N 4 1.836 1.063 1.728 17869
86 1 15 "Average Difference" HA 5 0.166 -0.035 0.181 17869
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17869
88 1 15 "Average Difference" CA 5 1.283 0.861 1.064 17869
89 1 15 "Average Difference" CB 5 7.165 -6.323 3.768 17869
90 1 15 "Average Difference" HN 4 0.477 -0.426 0.249 17869
91 1 16 "Average Difference" N 4 2.044 1.779 1.163 17869
92 1 16 "Average Difference" HA 5 0.193 0.100 0.185 17869
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17869
94 1 16 "Average Difference" CA 5 1.364 0.954 1.090 17869
95 1 16 "Average Difference" CB 5 6.724 -5.453 4.399 17869
96 1 16 "Average Difference" HN 4 0.354 -0.253 0.287 17869
97 1 17 "Average Difference" N 4 2.666 1.611 2.453 17869
98 1 17 "Average Difference" HA 5 0.180 0.115 0.156 17869
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17869
100 1 17 "Average Difference" CA 5 1.088 0.870 0.730 17869
101 1 17 "Average Difference" CB 5 6.478 -5.272 4.208 17869
102 1 17 "Average Difference" HN 4 0.376 -0.052 0.430 17869
103 1 18 "Average Difference" N 4 1.580 1.187 1.205 17869
104 1 18 "Average Difference" HA 5 0.218 0.163 0.162 17869
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17869
106 1 18 "Average Difference" CA 5 1.113 0.805 0.859 17869
107 1 18 "Average Difference" CB 5 6.127 -5.255 3.522 17869
108 1 18 "Average Difference" HN 4 0.367 -0.149 0.388 17869
109 1 19 "Average Difference" N 4 2.681 2.102 1.920 17869
110 1 19 "Average Difference" HA 5 0.103 -0.036 0.107 17869
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17869
112 1 19 "Average Difference" CA 5 1.316 1.053 0.882 17869
113 1 19 "Average Difference" CB 5 7.126 -6.031 4.244 17869
114 1 19 "Average Difference" HN 4 0.495 -0.287 0.465 17869
115 1 20 "Average Difference" N 4 2.252 1.868 1.452 17869
116 1 20 "Average Difference" HA 5 0.232 0.205 0.123 17869
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17869
118 1 20 "Average Difference" CA 5 1.315 0.939 1.030 17869
119 1 20 "Average Difference" CB 5 6.618 -5.300 4.431 17869
120 1 20 "Average Difference" HN 4 0.377 -0.178 0.384 17869
121 1 21 "Average Difference" N 4 1.877 0.686 2.017 17869
122 1 21 "Average Difference" HA 5 0.164 -0.016 0.182 17869
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17869
124 1 21 "Average Difference" CA 5 1.310 0.891 1.074 17869
125 1 21 "Average Difference" CB 5 7.074 -6.112 3.981 17869
126 1 21 "Average Difference" HN 4 0.493 -0.353 0.397 17869
127 1 22 "Average Difference" N 4 3.642 2.274 3.286 17869
128 1 22 "Average Difference" HA 5 0.142 -0.086 0.127 17869
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 17869
130 1 22 "Average Difference" CA 5 1.406 1.056 1.037 17869
131 1 22 "Average Difference" CB 5 7.366 -6.123 4.577 17869
132 1 22 "Average Difference" HN 4 0.515 -0.488 0.188 17869
133 1 23 "Average Difference" N 4 3.733 3.385 1.817 17869
134 1 23 "Average Difference" HA 5 0.131 -0.023 0.144 17869
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 17869
136 1 23 "Average Difference" CA 5 1.329 0.955 1.034 17869
137 1 23 "Average Difference" CB 5 7.214 -5.827 4.755 17869
138 1 23 "Average Difference" HN 4 0.441 -0.331 0.337 17869
139 1 24 "Average Difference" N 4 3.299 2.210 2.828 17869
140 1 24 "Average Difference" HA 5 0.109 -0.055 0.105 17869
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 17869
142 1 24 "Average Difference" CA 5 1.399 0.999 1.095 17869
143 1 24 "Average Difference" CB 5 7.373 -6.271 4.336 17869
144 1 24 "Average Difference" HN 4 0.394 -0.384 0.102 17869
145 1 25 "Average Difference" N 4 2.472 2.085 1.533 17869
146 1 25 "Average Difference" HA 5 0.159 0.077 0.156 17869
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 17869
148 1 25 "Average Difference" CA 5 1.319 1.109 0.800 17869
149 1 25 "Average Difference" CB 5 6.816 -5.410 4.634 17869
150 1 25 "Average Difference" HN 4 0.358 -0.202 0.342 17869
151 1 26 "Average Difference" N 4 2.894 1.684 2.718 17869
152 1 26 "Average Difference" HA 5 0.114 -0.053 0.114 17869
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 17869
154 1 26 "Average Difference" CA 5 1.262 0.925 0.959 17869
155 1 26 "Average Difference" CB 5 6.901 -5.469 4.706 17869
156 1 26 "Average Difference" HN 4 0.567 -0.471 0.365 17869
157 1 27 "Average Difference" N 4 3.166 2.599 2.088 17869
158 1 27 "Average Difference" HA 5 0.113 -0.035 0.120 17869
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 17869
160 1 27 "Average Difference" CA 5 1.292 1.091 0.772 17869
161 1 27 "Average Difference" CB 5 7.034 -5.916 4.254 17869
162 1 27 "Average Difference" HN 4 0.498 -0.282 0.474 17869
163 1 28 "Average Difference" N 4 3.297 2.752 2.097 17869
164 1 28 "Average Difference" HA 5 0.130 -0.073 0.120 17869
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 17869
166 1 28 "Average Difference" CA 5 1.291 1.047 0.843 17869
167 1 28 "Average Difference" CB 5 7.136 -5.755 4.717 17869
168 1 28 "Average Difference" HN 4 0.454 -0.396 0.256 17869
169 1 29 "Average Difference" N 4 1.653 1.417 0.982 17869
170 1 29 "Average Difference" HA 5 0.241 0.179 0.181 17869
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 17869
172 1 29 "Average Difference" CA 5 1.464 1.051 1.139 17869
173 1 29 "Average Difference" CB 5 6.453 -5.062 4.474 17869
174 1 29 "Average Difference" HN 4 0.405 -0.265 0.353 17869
175 1 30 "Average Difference" N 4 2.793 1.841 2.425 17869
176 1 30 "Average Difference" HA 5 0.178 -0.012 0.199 17869
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 17869
178 1 30 "Average Difference" CA 5 1.297 0.808 1.134 17869
179 1 30 "Average Difference" CB 5 7.332 -6.290 4.211 17869
180 1 30 "Average Difference" HN 4 0.499 -0.379 0.376 17869
181 1 31 "Average Difference" N 4 1.709 0.433 1.909 17869
182 1 31 "Average Difference" HA 5 0.190 -0.028 0.210 17869
183 1 31 "Average Difference" C 0 0.000 0.000 0.000 17869
184 1 31 "Average Difference" CA 5 1.446 1.385 0.463 17869
185 1 31 "Average Difference" CB 5 6.987 -6.053 3.903 17869
186 1 31 "Average Difference" HN 4 0.521 -0.246 0.530 17869
187 1 32 "Average Difference" N 4 3.206 2.904 1.568 17869
188 1 32 "Average Difference" HA 5 0.108 -0.045 0.110 17869
189 1 32 "Average Difference" C 0 0.000 0.000 0.000 17869
190 1 32 "Average Difference" CA 5 1.377 1.140 0.862 17869
191 1 32 "Average Difference" CB 5 6.938 -5.551 4.653 17869
192 1 32 "Average Difference" HN 4 0.449 -0.406 0.222 17869
193 1 33 "Average Difference" N 4 3.782 3.730 0.724 17869
194 1 33 "Average Difference" HA 5 0.168 -0.019 0.186 17869
195 1 33 "Average Difference" C 0 0.000 0.000 0.000 17869
196 1 33 "Average Difference" CA 5 1.377 1.102 0.923 17869
197 1 33 "Average Difference" CB 5 7.450 -6.189 4.637 17869
198 1 33 "Average Difference" HN 4 0.451 -0.223 0.453 17869
199 1 34 "Average Difference" N 4 2.935 2.672 1.404 17869
200 1 34 "Average Difference" HA 5 0.173 0.102 0.156 17869
201 1 34 "Average Difference" C 0 0.000 0.000 0.000 17869
202 1 34 "Average Difference" CA 5 1.330 1.091 0.850 17869
203 1 34 "Average Difference" CB 5 7.181 -5.705 4.876 17869
204 1 34 "Average Difference" HN 4 0.402 -0.237 0.375 17869
205 1 35 "Average Difference" N 4 2.638 1.850 2.171 17869
206 1 35 "Average Difference" HA 5 0.148 -0.049 0.156 17869
207 1 35 "Average Difference" C 0 0.000 0.000 0.000 17869
208 1 35 "Average Difference" CA 5 1.307 0.732 1.210 17869
209 1 35 "Average Difference" CB 5 7.131 -5.983 4.338 17869
210 1 35 "Average Difference" HN 4 0.470 -0.451 0.154 17869
211 1 36 "Average Difference" N 4 1.990 1.719 1.157 17869
212 1 36 "Average Difference" HA 5 0.170 -0.034 0.186 17869
213 1 36 "Average Difference" C 0 0.000 0.000 0.000 17869
214 1 36 "Average Difference" CA 5 1.385 0.910 1.168 17869
215 1 36 "Average Difference" CB 5 7.410 -6.072 4.749 17869
216 1 36 "Average Difference" HN 4 0.466 -0.438 0.184 17869
217 1 37 "Average Difference" N 4 3.517 3.226 1.620 17869
218 1 37 "Average Difference" HA 5 0.155 -0.070 0.154 17869
219 1 37 "Average Difference" C 0 0.000 0.000 0.000 17869
220 1 37 "Average Difference" CA 5 1.438 1.203 0.881 17869
221 1 37 "Average Difference" CB 5 7.226 -6.153 4.236 17869
222 1 37 "Average Difference" HN 4 0.462 -0.315 0.391 17869
223 1 38 "Average Difference" N 4 3.028 1.621 2.953 17869
224 1 38 "Average Difference" HA 5 0.128 -0.064 0.123 17869
225 1 38 "Average Difference" C 0 0.000 0.000 0.000 17869
226 1 38 "Average Difference" CA 5 1.339 1.049 0.929 17869
227 1 38 "Average Difference" CB 5 7.242 -6.185 4.212 17869
228 1 38 "Average Difference" HN 4 0.467 -0.461 0.089 17869
229 1 39 "Average Difference" N 4 1.206 0.175 1.378 17869
230 1 39 "Average Difference" HA 5 0.166 -0.024 0.184 17869
231 1 39 "Average Difference" C 0 0.000 0.000 0.000 17869
232 1 39 "Average Difference" CA 5 1.156 0.980 0.686 17869
233 1 39 "Average Difference" CB 5 6.394 -5.595 3.459 17869
234 1 39 "Average Difference" HN 4 0.419 -0.052 0.480 17869
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 17869
_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 3 113.700 113.700 114.579 -0.879 17869
2 1 . 1 1 3 3 THR HA H 3 4.720 4.720 4.751 -0.031 17869
3 1 . 1 1 3 3 THR CA C 3 59.970 59.970 61.450 -1.480 17869
4 1 . 1 1 3 3 THR CB C 3 79.750 79.750 70.192 9.558 17869
5 1 . 1 1 3 3 THR H H 3 8.590 8.590 8.339 0.251 17869
6 1 . 1 1 4 4 THR N N 4 112.800 112.800 114.542 -1.742 17869
7 1 . 1 1 4 4 THR HA H 4 4.780 4.780 4.658 0.122 17869
8 1 . 1 1 4 4 THR CA C 4 59.330 59.330 61.450 -2.120 17869
9 1 . 1 1 4 4 THR CB C 4 80.030 80.030 70.690 9.340 17869
10 1 . 1 1 4 4 THR H H 4 8.780 8.780 8.314 0.466 17869
11 1 . 1 1 5 5 THR N N 5 111.600 111.600 115.226 -3.626 17869
12 1 . 1 1 5 5 THR HA H 5 4.650 4.650 4.639 0.011 17869
13 1 . 1 1 5 5 THR CA C 5 58.190 58.190 59.315 -1.125 17869
14 1 . 1 1 5 5 THR CB C 5 76.870 76.870 69.084 7.787 17869
15 1 . 1 1 5 5 THR H H 5 8.690 8.690 8.150 0.540 17869
16 1 . 1 1 6 6 PRO HA H 6 4.430 4.430 4.432 -0.002 17869
17 1 . 1 1 6 6 PRO CA C 6 62.220 62.220 62.868 -0.648 17869
18 1 . 1 1 6 6 PRO CB C 6 32.200 32.200 31.295 0.905 17869
19 1 . 1 1 7 7 LEU N N 7 121.600 121.600 122.516 -0.916 17869
20 1 . 1 1 7 7 LEU HA H 7 4.080 4.080 4.202 -0.122 17869
21 1 . 1 1 7 7 LEU CA C 7 55.490 55.490 55.293 0.197 17869
22 1 . 1 1 7 7 LEU CB C 7 42.570 42.570 41.196 1.374 17869
23 1 . 1 1 7 7 LEU H H 7 8.160 8.160 8.218 -0.058 17869
stop_
save_