data_17870
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17870
_Entry.PDB_ID 2LHX
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 17870
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 3 3 THR N N 3 114.800 114.800 117.885 -3.085 17870
2 1 1 . 1 1 3 3 THR HA H 3 4.500 4.500 4.866 -0.366 17870
3 1 1 . 1 1 3 3 THR CA C 3 61.800 61.800 61.550 0.251 17870
4 1 1 . 1 1 3 3 THR CB C 3 70.040 70.040 71.791 -1.752 17870
5 1 1 . 1 1 3 3 THR H H 3 8.300 8.300 8.643 -0.343 17870
6 1 1 . 1 1 4 4 THR N N 4 115.600 115.600 115.685 -0.085 17870
7 1 1 . 1 1 4 4 THR HA H 4 4.740 4.740 4.623 0.117 17870
8 1 1 . 1 1 4 4 THR CA C 4 59.810 59.810 60.788 -0.978 17870
9 1 1 . 1 1 4 4 THR CB C 4 79.330 79.330 70.342 8.988 17870
10 1 1 . 1 1 4 4 THR H H 4 8.510 8.510 8.068 0.442 17870
11 1 1 . 1 1 5 5 THR N N 5 113.500 113.500 113.929 -0.429 17870
12 1 1 . 1 1 5 5 THR HA H 5 4.670 4.670 4.602 0.068 17870
13 1 1 . 1 1 5 5 THR CA C 5 58.400 58.400 59.811 -1.411 17870
14 1 1 . 1 1 5 5 THR CB C 5 77.070 77.070 68.977 8.093 17870
15 1 1 . 1 1 5 5 THR H H 5 8.670 8.670 8.044 0.626 17870
16 1 1 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.293 0.117 17870
17 1 1 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.503 -1.093 17870
18 1 1 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.271 0.979 17870
19 1 1 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.887 0.233 17870
20 1 1 . 1 1 7 7 LEU CA C 7 55.560 55.560 57.059 -1.499 17870
21 1 1 . 1 1 7 7 LEU H H 7 8.190 8.190 8.094 0.096 17870
22 1 2 . 1 1 3 3 THR N N 3 114.800 114.800 113.476 1.324 17870
23 1 2 . 1 1 3 3 THR HA H 3 4.500 4.500 4.894 -0.394 17870
24 1 2 . 1 1 3 3 THR CA C 3 61.800 61.800 61.218 0.582 17870
25 1 2 . 1 1 3 3 THR CB C 3 70.040 70.040 71.324 -1.284 17870
26 1 2 . 1 1 3 3 THR H H 3 8.300 8.300 8.162 0.138 17870
27 1 2 . 1 1 4 4 THR N N 4 115.600 115.600 115.055 0.545 17870
28 1 2 . 1 1 4 4 THR HA H 4 4.740 4.740 4.568 0.172 17870
29 1 2 . 1 1 4 4 THR CA C 4 59.810 59.810 61.453 -1.643 17870
30 1 2 . 1 1 4 4 THR CB C 4 79.330 79.330 69.631 9.699 17870
31 1 2 . 1 1 4 4 THR H H 4 8.510 8.510 8.132 0.378 17870
32 1 2 . 1 1 5 5 THR N N 5 113.500 113.500 113.621 -0.121 17870
33 1 2 . 1 1 5 5 THR HA H 5 4.670 4.670 4.620 0.050 17870
34 1 2 . 1 1 5 5 THR CA C 5 58.400 58.400 59.686 -1.286 17870
35 1 2 . 1 1 5 5 THR CB C 5 77.070 77.070 68.350 8.720 17870
36 1 2 . 1 1 5 5 THR H H 5 8.670 8.670 8.132 0.538 17870
37 1 2 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.283 0.127 17870
38 1 2 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.929 -1.520 17870
39 1 2 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.040 2.210 17870
40 1 2 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.506 -0.386 17870
41 1 2 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.496 1.064 17870
42 1 2 . 1 1 7 7 LEU H H 7 8.190 8.190 8.038 0.152 17870
43 1 3 . 1 1 3 3 THR N N 3 114.800 114.800 114.928 -0.128 17870
44 1 3 . 1 1 3 3 THR HA H 3 4.500 4.500 4.583 -0.083 17870
45 1 3 . 1 1 3 3 THR CA C 3 61.800 61.800 61.802 -0.002 17870
46 1 3 . 1 1 3 3 THR CB C 3 70.040 70.040 70.523 -0.483 17870
47 1 3 . 1 1 3 3 THR H H 3 8.300 8.300 8.133 0.167 17870
48 1 3 . 1 1 4 4 THR N N 4 115.600 115.600 116.534 -0.934 17870
49 1 3 . 1 1 4 4 THR HA H 4 4.740 4.740 4.734 0.006 17870
50 1 3 . 1 1 4 4 THR CA C 4 59.810 59.810 61.512 -1.702 17870
51 1 3 . 1 1 4 4 THR CB C 4 79.330 79.330 70.722 8.608 17870
52 1 3 . 1 1 4 4 THR H H 4 8.510 8.510 8.263 0.247 17870
53 1 3 . 1 1 5 5 THR N N 5 113.500 113.500 114.793 -1.293 17870
54 1 3 . 1 1 5 5 THR HA H 5 4.670 4.670 4.641 0.029 17870
55 1 3 . 1 1 5 5 THR CA C 5 58.400 58.400 59.027 -0.627 17870
56 1 3 . 1 1 5 5 THR CB C 5 77.070 77.070 69.289 7.781 17870
57 1 3 . 1 1 5 5 THR H H 5 8.670 8.670 8.202 0.468 17870
58 1 3 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.316 0.094 17870
59 1 3 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.785 -1.375 17870
60 1 3 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.607 1.643 17870
61 1 3 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.447 -0.327 17870
62 1 3 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.130 0.430 17870
63 1 3 . 1 1 7 7 LEU H H 7 8.190 8.190 7.927 0.263 17870
64 1 4 . 1 1 3 3 THR N N 3 114.800 114.800 115.787 -0.987 17870
65 1 4 . 1 1 3 3 THR HA H 3 4.500 4.500 4.908 -0.408 17870
66 1 4 . 1 1 3 3 THR CA C 3 61.800 61.800 61.946 -0.146 17870
67 1 4 . 1 1 3 3 THR CB C 3 70.040 70.040 71.272 -1.232 17870
68 1 4 . 1 1 3 3 THR H H 3 8.300 8.300 8.592 -0.292 17870
69 1 4 . 1 1 4 4 THR N N 4 115.600 115.600 113.582 2.018 17870
70 1 4 . 1 1 4 4 THR HA H 4 4.740 4.740 4.730 0.010 17870
71 1 4 . 1 1 4 4 THR CA C 4 59.810 59.810 61.013 -1.203 17870
72 1 4 . 1 1 4 4 THR CB C 4 79.330 79.330 71.126 8.204 17870
73 1 4 . 1 1 4 4 THR H H 4 8.510 8.510 8.510 -0.000 17870
74 1 4 . 1 1 5 5 THR N N 5 113.500 113.500 114.269 -0.769 17870
75 1 4 . 1 1 5 5 THR HA H 5 4.670 4.670 4.642 0.028 17870
76 1 4 . 1 1 5 5 THR CA C 5 58.400 58.400 59.163 -0.763 17870
77 1 4 . 1 1 5 5 THR CB C 5 77.070 77.070 68.705 8.365 17870
78 1 4 . 1 1 5 5 THR H H 5 8.670 8.670 7.993 0.677 17870
79 1 4 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.533 -0.123 17870
80 1 4 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.205 -0.795 17870
81 1 4 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.202 2.048 17870
82 1 4 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.547 -0.427 17870
83 1 4 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.781 0.779 17870
84 1 4 . 1 1 7 7 LEU H H 7 8.190 8.190 7.949 0.241 17870
85 1 5 . 1 1 3 3 THR N N 3 114.800 114.800 115.017 -0.217 17870
86 1 5 . 1 1 3 3 THR HA H 3 4.500 4.500 4.941 -0.441 17870
87 1 5 . 1 1 3 3 THR CA C 3 61.800 61.800 61.945 -0.145 17870
88 1 5 . 1 1 3 3 THR CB C 3 70.040 70.040 71.712 -1.672 17870
89 1 5 . 1 1 3 3 THR H H 3 8.300 8.300 8.412 -0.112 17870
90 1 5 . 1 1 4 4 THR N N 4 115.600 115.600 114.304 1.296 17870
91 1 5 . 1 1 4 4 THR HA H 4 4.740 4.740 4.587 0.153 17870
92 1 5 . 1 1 4 4 THR CA C 4 59.810 59.810 61.150 -1.340 17870
93 1 5 . 1 1 4 4 THR CB C 4 79.330 79.330 70.237 9.093 17870
94 1 5 . 1 1 4 4 THR H H 4 8.510 8.510 8.020 0.490 17870
95 1 5 . 1 1 5 5 THR N N 5 113.500 113.500 112.990 0.510 17870
96 1 5 . 1 1 5 5 THR HA H 5 4.670 4.670 4.586 0.084 17870
97 1 5 . 1 1 5 5 THR CA C 5 58.400 58.400 58.919 -0.519 17870
98 1 5 . 1 1 5 5 THR CB C 5 77.070 77.070 68.697 8.373 17870
99 1 5 . 1 1 5 5 THR H H 5 8.670 8.670 8.090 0.580 17870
100 1 5 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.242 0.168 17870
101 1 5 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.117 -0.707 17870
102 1 5 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.404 1.846 17870
103 1 5 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.896 0.224 17870
104 1 5 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.594 -0.034 17870
105 1 5 . 1 1 7 7 LEU H H 7 8.190 8.190 8.466 -0.276 17870
106 1 6 . 1 1 3 3 THR N N 3 114.800 114.800 115.625 -0.825 17870
107 1 6 . 1 1 3 3 THR HA H 3 4.500 4.500 4.628 -0.128 17870
108 1 6 . 1 1 3 3 THR CA C 3 61.800 61.800 62.773 -0.973 17870
109 1 6 . 1 1 3 3 THR CB C 3 70.040 70.040 69.694 0.346 17870
110 1 6 . 1 1 3 3 THR H H 3 8.300 8.300 8.279 0.021 17870
111 1 6 . 1 1 4 4 THR N N 4 115.600 115.600 117.974 -2.374 17870
112 1 6 . 1 1 4 4 THR HA H 4 4.740 4.740 4.750 -0.010 17870
113 1 6 . 1 1 4 4 THR CA C 4 59.810 59.810 61.272 -1.462 17870
114 1 6 . 1 1 4 4 THR CB C 4 79.330 79.330 69.582 9.748 17870
115 1 6 . 1 1 4 4 THR H H 4 8.510 8.510 8.317 0.193 17870
116 1 6 . 1 1 5 5 THR N N 5 113.500 113.500 115.205 -1.705 17870
117 1 6 . 1 1 5 5 THR HA H 5 4.670 4.670 4.734 -0.064 17870
118 1 6 . 1 1 5 5 THR CA C 5 58.400 58.400 59.434 -1.034 17870
119 1 6 . 1 1 5 5 THR CB C 5 77.070 77.070 68.994 8.076 17870
120 1 6 . 1 1 5 5 THR H H 5 8.670 8.670 7.946 0.724 17870
121 1 6 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.519 -0.109 17870
122 1 6 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.865 -0.455 17870
123 1 6 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.412 0.838 17870
124 1 6 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.291 -0.171 17870
125 1 6 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.001 0.559 17870
126 1 6 . 1 1 7 7 LEU H H 7 8.190 8.190 7.504 0.686 17870
127 1 7 . 1 1 3 3 THR N N 3 114.800 114.800 117.086 -2.286 17870
128 1 7 . 1 1 3 3 THR HA H 3 4.500 4.500 4.558 -0.058 17870
129 1 7 . 1 1 3 3 THR CA C 3 61.800 61.800 62.313 -0.513 17870
130 1 7 . 1 1 3 3 THR CB C 3 70.040 70.040 69.535 0.505 17870
131 1 7 . 1 1 3 3 THR H H 3 8.300 8.300 8.095 0.205 17870
132 1 7 . 1 1 4 4 THR N N 4 115.600 115.600 115.509 0.091 17870
133 1 7 . 1 1 4 4 THR HA H 4 4.740 4.740 4.553 0.187 17870
134 1 7 . 1 1 4 4 THR CA C 4 59.810 59.810 60.764 -0.954 17870
135 1 7 . 1 1 4 4 THR CB C 4 79.330 79.330 70.678 8.652 17870
136 1 7 . 1 1 4 4 THR H H 4 8.510 8.510 7.927 0.583 17870
137 1 7 . 1 1 5 5 THR N N 5 113.500 113.500 113.742 -0.242 17870
138 1 7 . 1 1 5 5 THR HA H 5 4.670 4.670 4.592 0.078 17870
139 1 7 . 1 1 5 5 THR CA C 5 58.400 58.400 59.534 -1.134 17870
140 1 7 . 1 1 5 5 THR CB C 5 77.070 77.070 68.906 8.164 17870
141 1 7 . 1 1 5 5 THR H H 5 8.670 8.670 8.026 0.644 17870
142 1 7 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.287 0.123 17870
143 1 7 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.475 -1.065 17870
144 1 7 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.276 0.974 17870
145 1 7 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.874 0.246 17870
146 1 7 . 1 1 7 7 LEU CA C 7 55.560 55.560 57.021 -1.461 17870
147 1 7 . 1 1 7 7 LEU H H 7 8.190 8.190 8.129 0.061 17870
148 1 8 . 1 1 3 3 THR N N 3 114.800 114.800 118.460 -3.660 17870
149 1 8 . 1 1 3 3 THR HA H 3 4.500 4.500 4.519 -0.019 17870
150 1 8 . 1 1 3 3 THR CA C 3 61.800 61.800 61.912 -0.112 17870
151 1 8 . 1 1 3 3 THR CB C 3 70.040 70.040 69.686 0.354 17870
152 1 8 . 1 1 3 3 THR H H 3 8.300 8.300 8.105 0.195 17870
153 1 8 . 1 1 4 4 THR N N 4 115.600 115.600 116.259 -0.659 17870
154 1 8 . 1 1 4 4 THR HA H 4 4.740 4.740 4.523 0.217 17870
155 1 8 . 1 1 4 4 THR CA C 4 59.810 59.810 60.864 -1.054 17870
156 1 8 . 1 1 4 4 THR CB C 4 79.330 79.330 69.916 9.414 17870
157 1 8 . 1 1 4 4 THR H H 4 8.510 8.510 8.254 0.256 17870
158 1 8 . 1 1 5 5 THR N N 5 113.500 113.500 113.885 -0.385 17870
159 1 8 . 1 1 5 5 THR HA H 5 4.670 4.670 4.618 0.052 17870
160 1 8 . 1 1 5 5 THR CA C 5 58.400 58.400 59.608 -1.208 17870
161 1 8 . 1 1 5 5 THR CB C 5 77.070 77.070 68.932 8.138 17870
162 1 8 . 1 1 5 5 THR H H 5 8.670 8.670 8.059 0.611 17870
163 1 8 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.357 0.053 17870
164 1 8 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.261 -0.851 17870
165 1 8 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.577 0.673 17870
166 1 8 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.376 -0.256 17870
167 1 8 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.228 1.332 17870
168 1 8 . 1 1 7 7 LEU H H 7 8.190 8.190 7.529 0.661 17870
169 1 9 . 1 1 3 3 THR N N 3 114.800 114.800 114.936 -0.136 17870
170 1 9 . 1 1 3 3 THR HA H 3 4.500 4.500 4.679 -0.179 17870
171 1 9 . 1 1 3 3 THR CA C 3 61.800 61.800 62.616 -0.816 17870
172 1 9 . 1 1 3 3 THR CB C 3 70.040 70.040 70.056 -0.016 17870
173 1 9 . 1 1 3 3 THR H H 3 8.300 8.300 8.361 -0.061 17870
174 1 9 . 1 1 4 4 THR N N 4 115.600 115.600 116.414 -0.814 17870
175 1 9 . 1 1 4 4 THR HA H 4 4.740 4.740 4.803 -0.063 17870
176 1 9 . 1 1 4 4 THR CA C 4 59.810 59.810 60.861 -1.051 17870
177 1 9 . 1 1 4 4 THR CB C 4 79.330 79.330 70.058 9.271 17870
178 1 9 . 1 1 4 4 THR H H 4 8.510 8.510 8.194 0.316 17870
179 1 9 . 1 1 5 5 THR N N 5 113.500 113.500 115.375 -1.875 17870
180 1 9 . 1 1 5 5 THR HA H 5 4.670 4.670 4.631 0.039 17870
181 1 9 . 1 1 5 5 THR CA C 5 58.400 58.400 60.360 -1.960 17870
182 1 9 . 1 1 5 5 THR CB C 5 77.070 77.070 68.779 8.291 17870
183 1 9 . 1 1 5 5 THR H H 5 8.670 8.670 8.044 0.626 17870
184 1 9 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.535 -0.125 17870
185 1 9 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.732 -0.322 17870
186 1 9 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.001 0.249 17870
187 1 9 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.376 -0.256 17870
188 1 9 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.207 0.353 17870
189 1 9 . 1 1 7 7 LEU H H 7 8.190 8.190 8.138 0.052 17870
190 1 10 . 1 1 3 3 THR N N 3 114.800 114.800 116.191 -1.391 17870
191 1 10 . 1 1 3 3 THR HA H 3 4.500 4.500 5.076 -0.576 17870
192 1 10 . 1 1 3 3 THR CA C 3 61.800 61.800 61.869 -0.069 17870
193 1 10 . 1 1 3 3 THR CB C 3 70.040 70.040 70.589 -0.549 17870
194 1 10 . 1 1 3 3 THR H H 3 8.300 8.300 8.673 -0.373 17870
195 1 10 . 1 1 4 4 THR N N 4 115.600 115.600 115.481 0.119 17870
196 1 10 . 1 1 4 4 THR HA H 4 4.740 4.740 4.661 0.079 17870
197 1 10 . 1 1 4 4 THR CA C 4 59.810 59.810 61.273 -1.464 17870
198 1 10 . 1 1 4 4 THR CB C 4 79.330 79.330 70.129 9.201 17870
199 1 10 . 1 1 4 4 THR H H 4 8.510 8.510 8.034 0.476 17870
200 1 10 . 1 1 5 5 THR N N 5 113.500 113.500 114.612 -1.112 17870
201 1 10 . 1 1 5 5 THR HA H 5 4.670 4.670 4.555 0.115 17870
202 1 10 . 1 1 5 5 THR CA C 5 58.400 58.400 59.871 -1.471 17870
203 1 10 . 1 1 5 5 THR CB C 5 77.070 77.070 68.856 8.214 17870
204 1 10 . 1 1 5 5 THR H H 5 8.670 8.670 8.100 0.570 17870
205 1 10 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.341 0.069 17870
206 1 10 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.320 -0.910 17870
207 1 10 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.965 0.285 17870
208 1 10 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.414 -0.294 17870
209 1 10 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.264 0.296 17870
210 1 10 . 1 1 7 7 LEU H H 7 8.190 8.190 7.900 0.290 17870
211 1 11 . 1 1 3 3 THR N N 3 114.800 114.800 117.842 -3.042 17870
212 1 11 . 1 1 3 3 THR HA H 3 4.500 4.500 4.497 0.003 17870
213 1 11 . 1 1 3 3 THR CA C 3 61.800 61.800 62.290 -0.490 17870
214 1 11 . 1 1 3 3 THR CB C 3 70.040 70.040 69.503 0.537 17870
215 1 11 . 1 1 3 3 THR H H 3 8.300 8.300 8.145 0.155 17870
216 1 11 . 1 1 4 4 THR N N 4 115.600 115.600 118.317 -2.717 17870
217 1 11 . 1 1 4 4 THR HA H 4 4.740 4.740 4.659 0.081 17870
218 1 11 . 1 1 4 4 THR CA C 4 59.810 59.810 60.708 -0.898 17870
219 1 11 . 1 1 4 4 THR CB C 4 79.330 79.330 70.499 8.831 17870
220 1 11 . 1 1 4 4 THR H H 4 8.510 8.510 8.242 0.268 17870
221 1 11 . 1 1 5 5 THR N N 5 113.500 113.500 114.384 -0.884 17870
222 1 11 . 1 1 5 5 THR HA H 5 4.670 4.670 4.717 -0.047 17870
223 1 11 . 1 1 5 5 THR CA C 5 58.400 58.400 59.368 -0.968 17870
224 1 11 . 1 1 5 5 THR CB C 5 77.070 77.070 68.728 8.342 17870
225 1 11 . 1 1 5 5 THR H H 5 8.670 8.670 8.136 0.534 17870
226 1 11 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.299 0.111 17870
227 1 11 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.780 -1.370 17870
228 1 11 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.053 2.196 17870
229 1 11 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.623 -0.503 17870
230 1 11 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.949 0.611 17870
231 1 11 . 1 1 7 7 LEU H H 7 8.190 8.190 8.149 0.041 17870
232 1 12 . 1 1 3 3 THR N N 3 114.800 114.800 116.668 -1.868 17870
233 1 12 . 1 1 3 3 THR HA H 3 4.500 4.500 4.542 -0.042 17870
234 1 12 . 1 1 3 3 THR CA C 3 61.800 61.800 62.059 -0.259 17870
235 1 12 . 1 1 3 3 THR CB C 3 70.040 70.040 69.789 0.251 17870
236 1 12 . 1 1 3 3 THR H H 3 8.300 8.300 8.253 0.047 17870
237 1 12 . 1 1 4 4 THR N N 4 115.600 115.600 115.879 -0.279 17870
238 1 12 . 1 1 4 4 THR HA H 4 4.740 4.740 4.621 0.119 17870
239 1 12 . 1 1 4 4 THR CA C 4 59.810 59.810 60.707 -0.897 17870
240 1 12 . 1 1 4 4 THR CB C 4 79.330 79.330 70.011 9.319 17870
241 1 12 . 1 1 4 4 THR H H 4 8.510 8.510 8.089 0.421 17870
242 1 12 . 1 1 5 5 THR N N 5 113.500 113.500 114.221 -0.721 17870
243 1 12 . 1 1 5 5 THR HA H 5 4.670 4.670 4.609 0.061 17870
244 1 12 . 1 1 5 5 THR CA C 5 58.400 58.400 59.612 -1.212 17870
245 1 12 . 1 1 5 5 THR CB C 5 77.070 77.070 68.716 8.354 17870
246 1 12 . 1 1 5 5 THR H H 5 8.670 8.670 8.074 0.596 17870
247 1 12 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.335 0.075 17870
248 1 12 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.585 -0.175 17870
249 1 12 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.199 0.051 17870
250 1 12 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.218 -0.098 17870
251 1 12 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.431 0.129 17870
252 1 12 . 1 1 7 7 LEU H H 7 8.190 8.190 8.216 -0.026 17870
253 1 13 . 1 1 3 3 THR N N 3 114.800 114.800 117.333 -2.533 17870
254 1 13 . 1 1 3 3 THR HA H 3 4.500 4.500 4.643 -0.143 17870
255 1 13 . 1 1 3 3 THR CA C 3 61.800 61.800 62.722 -0.922 17870
256 1 13 . 1 1 3 3 THR CB C 3 70.040 70.040 70.238 -0.198 17870
257 1 13 . 1 1 3 3 THR H H 3 8.300 8.300 8.396 -0.096 17870
258 1 13 . 1 1 4 4 THR N N 4 115.600 115.600 117.034 -1.434 17870
259 1 13 . 1 1 4 4 THR HA H 4 4.740 4.740 4.665 0.075 17870
260 1 13 . 1 1 4 4 THR CA C 4 59.810 59.810 60.562 -0.752 17870
261 1 13 . 1 1 4 4 THR CB C 4 79.330 79.330 70.374 8.956 17870
262 1 13 . 1 1 4 4 THR H H 4 8.510 8.510 8.170 0.340 17870
263 1 13 . 1 1 5 5 THR N N 5 113.500 113.500 115.618 -2.118 17870
264 1 13 . 1 1 5 5 THR HA H 5 4.670 4.670 4.598 0.072 17870
265 1 13 . 1 1 5 5 THR CA C 5 58.400 58.400 60.161 -1.761 17870
266 1 13 . 1 1 5 5 THR CB C 5 77.070 77.070 68.828 8.242 17870
267 1 13 . 1 1 5 5 THR H H 5 8.670 8.670 8.139 0.531 17870
268 1 13 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.390 0.020 17870
269 1 13 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.966 -0.556 17870
270 1 13 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.729 0.521 17870
271 1 13 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.377 -0.257 17870
272 1 13 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.068 0.492 17870
273 1 13 . 1 1 7 7 LEU H H 7 8.190 8.190 8.401 -0.211 17870
274 1 14 . 1 1 3 3 THR N N 3 114.800 114.800 117.417 -2.617 17870
275 1 14 . 1 1 3 3 THR HA H 3 4.500 4.500 4.589 -0.089 17870
276 1 14 . 1 1 3 3 THR CA C 3 61.800 61.800 62.054 -0.254 17870
277 1 14 . 1 1 3 3 THR CB C 3 70.040 70.040 69.863 0.177 17870
278 1 14 . 1 1 3 3 THR H H 3 8.300 8.300 8.340 -0.040 17870
279 1 14 . 1 1 4 4 THR N N 4 115.600 115.600 115.382 0.218 17870
280 1 14 . 1 1 4 4 THR HA H 4 4.740 4.740 4.692 0.048 17870
281 1 14 . 1 1 4 4 THR CA C 4 59.810 59.810 60.893 -1.083 17870
282 1 14 . 1 1 4 4 THR CB C 4 79.330 79.330 70.590 8.740 17870
283 1 14 . 1 1 4 4 THR H H 4 8.510 8.510 8.268 0.242 17870
284 1 14 . 1 1 5 5 THR N N 5 113.500 113.500 114.533 -1.033 17870
285 1 14 . 1 1 5 5 THR HA H 5 4.670 4.670 4.725 -0.055 17870
286 1 14 . 1 1 5 5 THR CA C 5 58.400 58.400 59.891 -1.491 17870
287 1 14 . 1 1 5 5 THR CB C 5 77.070 77.070 69.040 8.030 17870
288 1 14 . 1 1 5 5 THR H H 5 8.670 8.670 8.145 0.525 17870
289 1 14 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.318 0.092 17870
290 1 14 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.524 -1.114 17870
291 1 14 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.231 1.019 17870
292 1 14 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.864 0.256 17870
293 1 14 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.748 -1.188 17870
294 1 14 . 1 1 7 7 LEU H H 7 8.190 8.190 8.250 -0.060 17870
295 1 15 . 1 1 3 3 THR N N 3 114.800 114.800 114.255 0.545 17870
296 1 15 . 1 1 3 3 THR HA H 3 4.500 4.500 4.998 -0.498 17870
297 1 15 . 1 1 3 3 THR CA C 3 61.800 61.800 62.036 -0.236 17870
298 1 15 . 1 1 3 3 THR CB C 3 70.040 70.040 69.997 0.043 17870
299 1 15 . 1 1 3 3 THR H H 3 8.300 8.300 8.663 -0.363 17870
300 1 15 . 1 1 4 4 THR N N 4 115.600 115.600 113.542 2.058 17870
301 1 15 . 1 1 4 4 THR HA H 4 4.740 4.740 4.545 0.195 17870
302 1 15 . 1 1 4 4 THR CA C 4 59.810 59.810 61.262 -1.452 17870
303 1 15 . 1 1 4 4 THR CB C 4 79.330 79.330 70.735 8.595 17870
304 1 15 . 1 1 4 4 THR H H 4 8.510 8.510 8.096 0.414 17870
305 1 15 . 1 1 5 5 THR N N 5 113.500 113.500 113.351 0.149 17870
306 1 15 . 1 1 5 5 THR HA H 5 4.670 4.670 4.672 -0.002 17870
307 1 15 . 1 1 5 5 THR CA C 5 58.400 58.400 59.204 -0.804 17870
308 1 15 . 1 1 5 5 THR CB C 5 77.070 77.070 68.731 8.339 17870
309 1 15 . 1 1 5 5 THR H H 5 8.670 8.670 8.039 0.631 17870
310 1 15 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.290 0.120 17870
311 1 15 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.870 -1.460 17870
312 1 15 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.213 2.037 17870
313 1 15 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.672 -0.552 17870
314 1 15 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.848 0.712 17870
315 1 15 . 1 1 7 7 LEU H H 7 8.190 8.190 8.250 -0.060 17870
316 1 16 . 1 1 3 3 THR N N 3 114.800 114.800 118.481 -3.681 17870
317 1 16 . 1 1 3 3 THR HA H 3 4.500 4.500 4.488 0.012 17870
318 1 16 . 1 1 3 3 THR CA C 3 61.800 61.800 62.159 -0.359 17870
319 1 16 . 1 1 3 3 THR CB C 3 70.040 70.040 69.779 0.261 17870
320 1 16 . 1 1 3 3 THR H H 3 8.300 8.300 7.924 0.376 17870
321 1 16 . 1 1 4 4 THR N N 4 115.600 115.600 119.168 -3.568 17870
322 1 16 . 1 1 4 4 THR HA H 4 4.740 4.740 4.610 0.130 17870
323 1 16 . 1 1 4 4 THR CA C 4 59.810 59.810 60.968 -1.158 17870
324 1 16 . 1 1 4 4 THR CB C 4 79.330 79.330 70.120 9.210 17870
325 1 16 . 1 1 4 4 THR H H 4 8.510 8.510 8.308 0.202 17870
326 1 16 . 1 1 5 5 THR N N 5 113.500 113.500 114.055 -0.555 17870
327 1 16 . 1 1 5 5 THR HA H 5 4.670 4.670 4.636 0.034 17870
328 1 16 . 1 1 5 5 THR CA C 5 58.400 58.400 59.286 -0.886 17870
329 1 16 . 1 1 5 5 THR CB C 5 77.070 77.070 68.685 8.385 17870
330 1 16 . 1 1 5 5 THR H H 5 8.670 8.670 8.087 0.583 17870
331 1 16 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.295 0.115 17870
332 1 16 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.508 -1.098 17870
333 1 16 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.906 1.344 17870
334 1 16 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.821 0.299 17870
335 1 16 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.877 -1.317 17870
336 1 16 . 1 1 7 7 LEU H H 7 8.190 8.190 8.045 0.145 17870
337 1 17 . 1 1 3 3 THR N N 3 114.800 114.800 116.234 -1.434 17870
338 1 17 . 1 1 3 3 THR HA H 3 4.500 4.500 4.633 -0.133 17870
339 1 17 . 1 1 3 3 THR CA C 3 61.800 61.800 62.629 -0.829 17870
340 1 17 . 1 1 3 3 THR CB C 3 70.040 70.040 69.500 0.540 17870
341 1 17 . 1 1 3 3 THR H H 3 8.300 8.300 8.255 0.045 17870
342 1 17 . 1 1 4 4 THR N N 4 115.600 115.600 117.852 -2.252 17870
343 1 17 . 1 1 4 4 THR HA H 4 4.740 4.740 4.789 -0.049 17870
344 1 17 . 1 1 4 4 THR CA C 4 59.810 59.810 60.760 -0.950 17870
345 1 17 . 1 1 4 4 THR CB C 4 79.330 79.330 69.701 9.629 17870
346 1 17 . 1 1 4 4 THR H H 4 8.510 8.510 8.281 0.229 17870
347 1 17 . 1 1 5 5 THR N N 5 113.500 113.500 114.962 -1.462 17870
348 1 17 . 1 1 5 5 THR HA H 5 4.670 4.670 4.684 -0.014 17870
349 1 17 . 1 1 5 5 THR CA C 5 58.400 58.400 60.033 -1.633 17870
350 1 17 . 1 1 5 5 THR CB C 5 77.070 77.070 68.418 8.652 17870
351 1 17 . 1 1 5 5 THR H H 5 8.670 8.670 8.001 0.669 17870
352 1 17 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.502 -0.092 17870
353 1 17 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.748 -0.338 17870
354 1 17 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.058 0.192 17870
355 1 17 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.352 -0.232 17870
356 1 17 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.180 0.380 17870
357 1 17 . 1 1 7 7 LEU H H 7 8.190 8.190 8.164 0.026 17870
358 1 18 . 1 1 3 3 THR N N 3 114.800 114.800 116.238 -1.438 17870
359 1 18 . 1 1 3 3 THR HA H 3 4.500 4.500 4.628 -0.128 17870
360 1 18 . 1 1 3 3 THR CA C 3 61.800 61.800 61.827 -0.027 17870
361 1 18 . 1 1 3 3 THR CB C 3 70.040 70.040 69.543 0.497 17870
362 1 18 . 1 1 3 3 THR H H 3 8.300 8.300 8.150 0.150 17870
363 1 18 . 1 1 4 4 THR N N 4 115.600 115.600 119.541 -3.941 17870
364 1 18 . 1 1 4 4 THR HA H 4 4.740 4.740 4.540 0.200 17870
365 1 18 . 1 1 4 4 THR CA C 4 59.810 59.810 60.838 -1.028 17870
366 1 18 . 1 1 4 4 THR CB C 4 79.330 79.330 69.908 9.422 17870
367 1 18 . 1 1 4 4 THR H H 4 8.510 8.510 8.446 0.064 17870
368 1 18 . 1 1 5 5 THR N N 5 113.500 113.500 114.426 -0.926 17870
369 1 18 . 1 1 5 5 THR HA H 5 4.670 4.670 4.593 0.077 17870
370 1 18 . 1 1 5 5 THR CA C 5 58.400 58.400 59.739 -1.339 17870
371 1 18 . 1 1 5 5 THR CB C 5 77.070 77.070 68.296 8.774 17870
372 1 18 . 1 1 5 5 THR H H 5 8.670 8.670 8.045 0.625 17870
373 1 18 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.360 0.050 17870
374 1 18 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.371 -0.961 17870
375 1 18 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.012 0.238 17870
376 1 18 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.341 -0.221 17870
377 1 18 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.780 -0.220 17870
378 1 18 . 1 1 7 7 LEU H H 7 8.190 8.190 8.050 0.140 17870
379 1 19 . 1 1 3 3 THR N N 3 114.800 114.800 118.845 -4.045 17870
380 1 19 . 1 1 3 3 THR HA H 3 4.500 4.500 4.592 -0.092 17870
381 1 19 . 1 1 3 3 THR CA C 3 61.800 61.800 62.693 -0.893 17870
382 1 19 . 1 1 3 3 THR CB C 3 70.040 70.040 69.605 0.435 17870
383 1 19 . 1 1 3 3 THR H H 3 8.300 8.300 8.462 -0.162 17870
384 1 19 . 1 1 4 4 THR N N 4 115.600 115.600 116.831 -1.231 17870
385 1 19 . 1 1 4 4 THR HA H 4 4.740 4.740 4.601 0.139 17870
386 1 19 . 1 1 4 4 THR CA C 4 59.810 59.810 60.582 -0.772 17870
387 1 19 . 1 1 4 4 THR CB C 4 79.330 79.330 70.743 8.588 17870
388 1 19 . 1 1 4 4 THR H H 4 8.510 8.510 7.981 0.529 17870
389 1 19 . 1 1 5 5 THR N N 5 113.500 113.500 114.854 -1.354 17870
390 1 19 . 1 1 5 5 THR HA H 5 4.670 4.670 4.640 0.030 17870
391 1 19 . 1 1 5 5 THR CA C 5 58.400 58.400 59.763 -1.363 17870
392 1 19 . 1 1 5 5 THR CB C 5 77.070 77.070 68.754 8.316 17870
393 1 19 . 1 1 5 5 THR H H 5 8.670 8.670 8.049 0.621 17870
394 1 19 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.367 0.043 17870
395 1 19 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.347 -0.937 17870
396 1 19 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.195 0.055 17870
397 1 19 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.366 -0.246 17870
398 1 19 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.149 0.411 17870
399 1 19 . 1 1 7 7 LEU H H 7 8.190 8.190 8.025 0.165 17870
400 1 20 . 1 1 3 3 THR N N 3 114.800 114.800 116.183 -1.383 17870
401 1 20 . 1 1 3 3 THR HA H 3 4.500 4.500 4.538 -0.038 17870
402 1 20 . 1 1 3 3 THR CA C 3 61.800 61.800 61.955 -0.155 17870
403 1 20 . 1 1 3 3 THR CB C 3 70.040 70.040 69.548 0.492 17870
404 1 20 . 1 1 3 3 THR H H 3 8.300 8.300 8.200 0.100 17870
405 1 20 . 1 1 4 4 THR N N 4 115.600 115.600 118.526 -2.926 17870
406 1 20 . 1 1 4 4 THR HA H 4 4.740 4.740 4.618 0.122 17870
407 1 20 . 1 1 4 4 THR CA C 4 59.810 59.810 60.850 -1.040 17870
408 1 20 . 1 1 4 4 THR CB C 4 79.330 79.330 69.947 9.383 17870
409 1 20 . 1 1 4 4 THR H H 4 8.510 8.510 8.215 0.295 17870
410 1 20 . 1 1 5 5 THR N N 5 113.500 113.500 114.559 -1.059 17870
411 1 20 . 1 1 5 5 THR HA H 5 4.670 4.670 4.609 0.061 17870
412 1 20 . 1 1 5 5 THR CA C 5 58.400 58.400 59.930 -1.530 17870
413 1 20 . 1 1 5 5 THR CB C 5 77.070 77.070 68.558 8.512 17870
414 1 20 . 1 1 5 5 THR H H 5 8.670 8.670 8.119 0.551 17870
415 1 20 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.309 0.101 17870
416 1 20 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.715 -0.305 17870
417 1 20 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.232 0.018 17870
418 1 20 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.213 -0.094 17870
419 1 20 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.368 0.192 17870
420 1 20 . 1 1 7 7 LEU H H 7 8.190 8.190 8.253 -0.063 17870
421 1 21 . 1 1 3 3 THR N N 3 114.800 114.800 116.296 -1.496 17870
422 1 21 . 1 1 3 3 THR HA H 3 4.500 4.500 4.663 -0.163 17870
423 1 21 . 1 1 3 3 THR CA C 3 61.800 61.800 62.059 -0.259 17870
424 1 21 . 1 1 3 3 THR CB C 3 70.040 70.040 69.010 1.030 17870
425 1 21 . 1 1 3 3 THR H H 3 8.300 8.300 8.283 0.017 17870
426 1 21 . 1 1 4 4 THR N N 4 115.600 115.600 118.982 -3.382 17870
427 1 21 . 1 1 4 4 THR HA H 4 4.740 4.740 4.592 0.148 17870
428 1 21 . 1 1 4 4 THR CA C 4 59.810 59.810 61.011 -1.201 17870
429 1 21 . 1 1 4 4 THR CB C 4 79.330 79.330 70.578 8.752 17870
430 1 21 . 1 1 4 4 THR H H 4 8.510 8.510 8.111 0.399 17870
431 1 21 . 1 1 5 5 THR N N 5 113.500 113.500 113.902 -0.402 17870
432 1 21 . 1 1 5 5 THR HA H 5 4.670 4.670 4.634 0.036 17870
433 1 21 . 1 1 5 5 THR CA C 5 58.400 58.400 59.750 -1.350 17870
434 1 21 . 1 1 5 5 THR CB C 5 77.070 77.070 68.921 8.149 17870
435 1 21 . 1 1 5 5 THR H H 5 8.670 8.670 8.055 0.615 17870
436 1 21 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.322 0.088 17870
437 1 21 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.182 -0.772 17870
438 1 21 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.119 0.131 17870
439 1 21 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.248 -0.128 17870
440 1 21 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.795 -0.235 17870
441 1 21 . 1 1 7 7 LEU H H 7 8.190 8.190 8.228 -0.038 17870
442 1 22 . 1 1 3 3 THR N N 3 114.800 114.800 114.247 0.553 17870
443 1 22 . 1 1 3 3 THR HA H 3 4.500 4.500 4.615 -0.115 17870
444 1 22 . 1 1 3 3 THR CA C 3 61.800 61.800 61.845 -0.045 17870
445 1 22 . 1 1 3 3 THR CB C 3 70.040 70.040 69.505 0.535 17870
446 1 22 . 1 1 3 3 THR H H 3 8.300 8.300 8.216 0.084 17870
447 1 22 . 1 1 4 4 THR N N 4 115.600 115.600 115.102 0.498 17870
448 1 22 . 1 1 4 4 THR HA H 4 4.740 4.740 4.636 0.104 17870
449 1 22 . 1 1 4 4 THR CA C 4 59.810 59.810 61.183 -1.373 17870
450 1 22 . 1 1 4 4 THR CB C 4 79.330 79.330 69.892 9.438 17870
451 1 22 . 1 1 4 4 THR H H 4 8.510 8.510 7.751 0.759 17870
452 1 22 . 1 1 5 5 THR N N 5 113.500 113.500 114.194 -0.694 17870
453 1 22 . 1 1 5 5 THR HA H 5 4.670 4.670 4.598 0.072 17870
454 1 22 . 1 1 5 5 THR CA C 5 58.400 58.400 59.850 -1.450 17870
455 1 22 . 1 1 5 5 THR CB C 5 77.070 77.070 68.499 8.571 17870
456 1 22 . 1 1 5 5 THR H H 5 8.670 8.670 8.028 0.642 17870
457 1 22 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.406 0.004 17870
458 1 22 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.986 -0.576 17870
459 1 22 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.919 0.331 17870
460 1 22 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.383 -0.263 17870
461 1 22 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.096 0.465 17870
462 1 22 . 1 1 7 7 LEU H H 7 8.190 8.190 8.428 -0.238 17870
463 1 23 . 1 1 3 3 THR N N 3 114.800 114.800 114.734 0.066 17870
464 1 23 . 1 1 3 3 THR HA H 3 4.500 4.500 4.983 -0.483 17870
465 1 23 . 1 1 3 3 THR CA C 3 61.800 61.800 61.564 0.236 17870
466 1 23 . 1 1 3 3 THR CB C 3 70.040 70.040 69.987 0.053 17870
467 1 23 . 1 1 3 3 THR H H 3 8.300 8.300 8.748 -0.448 17870
468 1 23 . 1 1 4 4 THR N N 4 115.600 115.600 115.778 -0.178 17870
469 1 23 . 1 1 4 4 THR HA H 4 4.740 4.740 4.636 0.104 17870
470 1 23 . 1 1 4 4 THR CA C 4 59.810 59.810 61.130 -1.320 17870
471 1 23 . 1 1 4 4 THR CB C 4 79.330 79.330 70.467 8.863 17870
472 1 23 . 1 1 4 4 THR H H 4 8.510 8.510 8.157 0.353 17870
473 1 23 . 1 1 5 5 THR N N 5 113.500 113.500 114.016 -0.516 17870
474 1 23 . 1 1 5 5 THR HA H 5 4.670 4.670 4.644 0.026 17870
475 1 23 . 1 1 5 5 THR CA C 5 58.400 58.400 59.836 -1.436 17870
476 1 23 . 1 1 5 5 THR CB C 5 77.070 77.070 68.570 8.500 17870
477 1 23 . 1 1 5 5 THR H H 5 8.670 8.670 8.150 0.520 17870
478 1 23 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.278 0.132 17870
479 1 23 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.360 -0.950 17870
480 1 23 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.832 1.418 17870
481 1 23 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.891 0.229 17870
482 1 23 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.934 -1.374 17870
483 1 23 . 1 1 7 7 LEU H H 7 8.190 8.190 8.128 0.062 17870
484 1 24 . 1 1 3 3 THR N N 3 114.800 114.800 117.236 -2.436 17870
485 1 24 . 1 1 3 3 THR HA H 3 4.500 4.500 4.776 -0.276 17870
486 1 24 . 1 1 3 3 THR CA C 3 61.800 61.800 61.797 0.003 17870
487 1 24 . 1 1 3 3 THR CB C 3 70.040 70.040 70.458 -0.418 17870
488 1 24 . 1 1 3 3 THR H H 3 8.300 8.300 8.394 -0.094 17870
489 1 24 . 1 1 4 4 THR N N 4 115.600 115.600 114.249 1.351 17870
490 1 24 . 1 1 4 4 THR HA H 4 4.740 4.740 4.470 0.270 17870
491 1 24 . 1 1 4 4 THR CA C 4 59.810 59.810 60.768 -0.958 17870
492 1 24 . 1 1 4 4 THR CB C 4 79.330 79.330 69.859 9.471 17870
493 1 24 . 1 1 4 4 THR H H 4 8.510 8.510 8.086 0.424 17870
494 1 24 . 1 1 5 5 THR N N 5 113.500 113.500 113.389 0.111 17870
495 1 24 . 1 1 5 5 THR HA H 5 4.670 4.670 4.605 0.065 17870
496 1 24 . 1 1 5 5 THR CA C 5 58.400 58.400 59.620 -1.220 17870
497 1 24 . 1 1 5 5 THR CB C 5 77.070 77.070 69.116 7.954 17870
498 1 24 . 1 1 5 5 THR H H 5 8.670 8.670 8.050 0.620 17870
499 1 24 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.358 0.052 17870
500 1 24 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.358 -0.948 17870
501 1 24 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.654 0.596 17870
502 1 24 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.396 -0.276 17870
503 1 24 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.284 1.276 17870
504 1 24 . 1 1 7 7 LEU H H 7 8.190 8.190 7.596 0.594 17870
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 3 1.799 1.200 1.642 17870
2 1 1 "Average Difference" HA 5 0.210 -0.034 0.232 17870
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17870
4 1 1 "Average Difference" CA 5 1.136 0.946 0.703 17870
5 1 1 "Average Difference" CB 4 6.130 -4.077 5.285 17870
6 1 1 "Average Difference" HN 4 0.423 -0.205 0.427 17870
7 1 2 "Average Difference" N 3 0.830 -0.583 0.723 17870
8 1 2 "Average Difference" HA 5 0.266 0.086 0.281 17870
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17870
10 1 2 "Average Difference" CA 5 1.275 0.560 1.281 17870
11 1 2 "Average Difference" CB 4 6.645 -4.836 5.263 17870
12 1 2 "Average Difference" HN 4 0.344 -0.301 0.192 17870
13 1 3 "Average Difference" N 3 0.924 0.785 0.597 17870
14 1 3 "Average Difference" HA 5 0.157 0.056 0.164 17870
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17870
16 1 3 "Average Difference" CA 5 1.036 0.655 0.897 17870
17 1 3 "Average Difference" CB 4 5.865 -4.387 4.494 17870
18 1 3 "Average Difference" HN 4 0.307 -0.286 0.128 17870
19 1 4 "Average Difference" N 3 1.371 -0.087 1.676 17870
20 1 4 "Average Difference" HA 5 0.270 0.184 0.221 17870
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17870
22 1 4 "Average Difference" CA 5 0.811 0.426 0.772 17870
23 1 4 "Average Difference" CB 4 5.979 -4.346 4.741 17870
24 1 4 "Average Difference" HN 4 0.388 -0.157 0.410 17870
25 1 5 "Average Difference" N 3 0.814 -0.530 0.757 17870
26 1 5 "Average Difference" HA 5 0.246 -0.037 0.272 17870
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17870
28 1 5 "Average Difference" CA 5 0.719 0.549 0.520 17870
29 1 5 "Average Difference" CB 4 6.304 -4.410 5.202 17870
30 1 5 "Average Difference" HN 4 0.408 -0.171 0.428 17870
31 1 6 "Average Difference" N 3 1.753 1.635 0.777 17870
32 1 6 "Average Difference" HA 5 0.111 0.097 0.062 17870
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17870
34 1 6 "Average Difference" CA 5 0.967 0.673 0.776 17870
35 1 6 "Average Difference" CB 4 6.346 -4.752 4.856 17870
36 1 6 "Average Difference" HN 4 0.508 -0.406 0.353 17870
37 1 7 "Average Difference" N 3 1.328 0.812 1.287 17870
38 1 7 "Average Difference" HA 5 0.155 -0.115 0.116 17870
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17870
40 1 7 "Average Difference" CA 5 1.070 1.025 0.343 17870
41 1 7 "Average Difference" CB 4 5.973 -4.574 4.436 17870
42 1 7 "Average Difference" HN 4 0.447 -0.373 0.285 17870
43 1 8 "Average Difference" N 3 2.159 1.568 1.817 17870
44 1 8 "Average Difference" HA 5 0.154 -0.009 0.172 17870
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17870
46 1 8 "Average Difference" CA 5 1.008 0.378 1.044 17870
47 1 8 "Average Difference" CB 4 6.234 -4.645 4.801 17870
48 1 8 "Average Difference" HN 4 0.478 -0.431 0.239 17870
49 1 9 "Average Difference" N 3 1.183 0.942 0.877 17870
50 1 9 "Average Difference" HA 5 0.154 0.117 0.112 17870
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17870
52 1 9 "Average Difference" CA 5 1.081 0.759 0.860 17870
53 1 9 "Average Difference" CB 4 6.220 -4.449 5.020 17870
54 1 9 "Average Difference" HN 4 0.353 -0.233 0.306 17870
55 1 10 "Average Difference" N 3 1.030 0.795 0.803 17870
56 1 10 "Average Difference" HA 5 0.297 0.121 0.303 17870
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17870
58 1 10 "Average Difference" CA 5 1.022 0.724 0.808 17870
59 1 10 "Average Difference" CB 4 6.175 -4.288 5.131 17870
60 1 10 "Average Difference" HN 4 0.440 -0.241 0.426 17870
61 1 11 "Average Difference" N 3 2.410 2.214 1.164 17870
62 1 11 "Average Difference" HA 5 0.234 0.071 0.250 17870
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17870
64 1 11 "Average Difference" CA 5 0.920 0.623 0.757 17870
65 1 11 "Average Difference" CB 4 6.178 -4.977 4.228 17870
66 1 11 "Average Difference" HN 4 0.310 -0.250 0.211 17870
67 1 12 "Average Difference" N 3 1.167 0.956 0.820 17870
68 1 12 "Average Difference" HA 5 0.084 -0.023 0.090 17870
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17870
70 1 12 "Average Difference" CA 5 0.691 0.483 0.553 17870
71 1 12 "Average Difference" CB 4 6.259 -4.494 5.031 17870
72 1 12 "Average Difference" HN 4 0.366 -0.259 0.297 17870
73 1 13 "Average Difference" N 3 2.078 2.028 0.555 17870
74 1 13 "Average Difference" HA 5 0.140 0.047 0.147 17870
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17870
76 1 13 "Average Difference" CA 5 1.007 0.700 0.809 17870
77 1 13 "Average Difference" CB 4 6.092 -4.380 4.889 17870
78 1 13 "Average Difference" HN 4 0.336 -0.141 0.352 17870
79 1 14 "Average Difference" N 3 1.629 1.144 1.421 17870
80 1 14 "Average Difference" HA 5 0.132 -0.050 0.137 17870
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17870
82 1 14 "Average Difference" CA 5 1.106 1.026 0.461 17870
83 1 14 "Average Difference" CB 4 5.957 -4.492 4.519 17870
84 1 14 "Average Difference" HN 4 0.291 -0.167 0.276 17870
85 1 15 "Average Difference" N 3 1.232 -0.917 1.007 17870
86 1 15 "Average Difference" HA 5 0.348 0.147 0.352 17870
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17870
88 1 15 "Average Difference" CA 5 1.044 0.648 0.915 17870
89 1 15 "Average Difference" CB 4 6.074 -4.754 4.366 17870
90 1 15 "Average Difference" HN 4 0.420 -0.156 0.450 17870
91 1 16 "Average Difference" N 3 2.977 2.601 1.773 17870
92 1 16 "Average Difference" HA 5 0.155 -0.118 0.113 17870
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17870
94 1 16 "Average Difference" CA 5 1.019 0.964 0.372 17870
95 1 16 "Average Difference" CB 4 6.265 -4.800 4.649 17870
96 1 16 "Average Difference" HN 4 0.369 -0.326 0.197 17870
97 1 17 "Average Difference" N 3 1.757 1.716 0.464 17870
98 1 17 "Average Difference" HA 5 0.128 0.104 0.084 17870
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17870
100 1 17 "Average Difference" CA 5 0.950 0.674 0.749 17870
101 1 17 "Average Difference" CB 4 6.479 -4.753 5.084 17870
102 1 17 "Average Difference" HN 4 0.354 -0.242 0.299 17870
103 1 18 "Average Difference" N 3 2.480 2.102 1.613 17870
104 1 18 "Average Difference" HA 5 0.151 0.004 0.168 17870
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17870
106 1 18 "Average Difference" CA 5 0.874 0.715 0.562 17870
107 1 18 "Average Difference" CB 4 6.443 -4.733 5.049 17870
108 1 18 "Average Difference" HN 4 0.330 -0.245 0.256 17870
109 1 19 "Average Difference" N 3 2.563 2.210 1.590 17870
110 1 19 "Average Difference" HA 5 0.135 0.025 0.148 17870
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17870
112 1 19 "Average Difference" CA 5 0.927 0.711 0.665 17870
113 1 19 "Average Difference" CB 4 5.981 -4.348 4.742 17870
114 1 19 "Average Difference" HN 4 0.424 -0.288 0.359 17870
115 1 20 "Average Difference" N 3 1.966 1.789 0.998 17870
116 1 20 "Average Difference" HA 5 0.088 -0.030 0.093 17870
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17870
118 1 20 "Average Difference" CA 5 0.846 0.568 0.701 17870
119 1 20 "Average Difference" CB 4 6.339 -4.601 5.035 17870
120 1 20 "Average Difference" HN 4 0.318 -0.221 0.264 17870
121 1 21 "Average Difference" N 3 2.148 1.760 1.507 17870
122 1 21 "Average Difference" HA 5 0.121 0.004 0.136 17870
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17870
124 1 21 "Average Difference" CA 5 0.893 0.764 0.517 17870
125 1 21 "Average Difference" CB 4 6.002 -4.516 4.565 17870
126 1 21 "Average Difference" HN 4 0.367 -0.248 0.312 17870
127 1 22 "Average Difference" N 3 0.587 -0.119 0.705 17870
128 1 22 "Average Difference" HA 5 0.140 0.040 0.150 17870
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 17870
130 1 22 "Average Difference" CA 5 0.952 0.596 0.831 17870
131 1 22 "Average Difference" CB 4 6.382 -4.719 4.962 17870
132 1 22 "Average Difference" HN 4 0.513 -0.312 0.470 17870
133 1 23 "Average Difference" N 3 0.317 0.209 0.292 17870
134 1 23 "Average Difference" HA 5 0.251 -0.002 0.281 17870
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 17870
136 1 23 "Average Difference" CA 5 1.153 0.969 0.700 17870
137 1 23 "Average Difference" CB 4 6.181 -4.708 4.624 17870
138 1 23 "Average Difference" HN 4 0.387 -0.122 0.424 17870
139 1 24 "Average Difference" N 3 1.610 0.325 1.931 17870
140 1 24 "Average Difference" HA 5 0.215 0.033 0.238 17870
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 17870
142 1 24 "Average Difference" CA 5 0.993 0.369 1.031 17870
143 1 24 "Average Difference" CB 4 6.194 -4.401 5.034 17870
144 1 24 "Average Difference" HN 4 0.481 -0.386 0.331 17870
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 17870
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 3 3 THR N N 3 114.800 114.800 116.308 -1.508 17870
2 1 . 1 1 3 3 THR HA H 3 4.500 4.500 4.702 -0.202 17870
3 1 . 1 1 3 3 THR CA C 3 61.800 61.800 62.068 -0.268 17870
4 1 . 1 1 3 3 THR CB C 3 70.040 70.040 70.104 -0.065 17870
5 1 . 1 1 3 3 THR H H 3 8.300 8.300 8.329 -0.029 17870
6 1 . 1 1 4 4 THR N N 4 115.600 115.600 116.374 -0.774 17870
7 1 . 1 1 4 4 THR HA H 4 4.740 4.740 4.634 0.106 17870
8 1 . 1 1 4 4 THR CA C 4 59.810 59.810 60.966 -1.156 17870
9 1 . 1 1 4 4 THR CB C 4 79.330 79.330 70.244 9.086 17870
10 1 . 1 1 4 4 THR H H 4 8.510 8.510 8.163 0.347 17870
11 1 . 1 1 5 5 THR N N 5 113.500 113.500 114.287 -0.787 17870
12 1 . 1 1 5 5 THR HA H 5 4.670 4.670 4.633 0.037 17870
13 1 . 1 1 5 5 THR CA C 5 58.400 58.400 59.644 -1.244 17870
14 1 . 1 1 5 5 THR CB C 5 77.070 77.070 68.764 8.306 17870
15 1 . 1 1 5 5 THR H H 5 8.670 8.670 8.073 0.597 17870
16 1 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.356 0.054 17870
17 1 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.271 -0.861 17870
18 1 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.338 0.912 17870
19 1 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.266 -0.146 17870
20 1 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.470 0.090 17870
21 1 . 1 1 7 7 LEU H H 7 8.190 8.190 8.077 0.113 17870
stop_
save_