data_17873
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17873
_Entry.PDB_ID 2LI0
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 17873
_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 3 113.400 113.400 114.764 -1.364 17873
2 1 1 . 1 1 3 3 THR HA H 3 4.420 4.420 4.876 -0.456 17873
3 1 1 . 1 1 3 3 THR CA C 3 61.800 61.800 61.743 0.057 17873
4 1 1 . 1 1 3 3 THR CB C 3 69.860 69.860 70.735 -0.875 17873
5 1 1 . 1 1 3 3 THR H H 3 8.280 8.280 8.331 -0.051 17873
6 1 1 . 1 1 4 4 THR N N 4 116.700 116.700 114.058 2.642 17873
7 1 1 . 1 1 4 4 THR HA H 4 4.500 4.500 4.800 -0.300 17873
8 1 1 . 1 1 4 4 THR CA C 4 61.590 61.590 61.163 0.427 17873
9 1 1 . 1 1 4 4 THR CB C 4 70.120 70.120 72.112 -1.992 17873
10 1 1 . 1 1 4 4 THR H H 4 8.130 8.130 8.531 -0.401 17873
11 1 1 . 1 1 5 5 THR N N 5 116.100 116.100 112.941 3.159 17873
12 1 1 . 1 1 5 5 THR HA H 5 4.700 4.700 4.655 0.045 17873
13 1 1 . 1 1 5 5 THR CA C 5 58.610 58.610 59.513 -0.903 17873
14 1 1 . 1 1 5 5 THR CB C 5 77.640 77.640 70.472 7.168 17873
15 1 1 . 1 1 5 5 THR H H 5 8.510 8.510 7.904 0.606 17873
16 1 1 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.327 0.123 17873
17 1 1 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.385 -0.734 17873
18 1 1 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.448 1.902 17873
19 1 1 . 1 1 7 7 LEU N N 7 121.500 121.500 119.998 1.502 17873
20 1 1 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.485 -0.345 17873
21 1 1 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.578 0.902 17873
22 1 1 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.958 0.682 17873
23 1 1 . 1 1 7 7 LEU H H 7 8.210 8.210 8.118 0.092 17873
24 1 2 . 1 1 3 3 THR N N 3 113.400 113.400 114.265 -0.865 17873
25 1 2 . 1 1 3 3 THR HA H 3 4.420 4.420 4.845 -0.425 17873
26 1 2 . 1 1 3 3 THR CA C 3 61.800 61.800 61.828 -0.028 17873
27 1 2 . 1 1 3 3 THR CB C 3 69.860 69.860 70.958 -1.098 17873
28 1 2 . 1 1 3 3 THR H H 3 8.280 8.280 8.582 -0.302 17873
29 1 2 . 1 1 4 4 THR N N 4 116.700 116.700 114.361 2.339 17873
30 1 2 . 1 1 4 4 THR HA H 4 4.500 4.500 4.858 -0.358 17873
31 1 2 . 1 1 4 4 THR CA C 4 61.590 61.590 61.197 0.393 17873
32 1 2 . 1 1 4 4 THR CB C 4 70.120 70.120 71.988 -1.868 17873
33 1 2 . 1 1 4 4 THR H H 4 8.130 8.130 8.425 -0.295 17873
34 1 2 . 1 1 5 5 THR N N 5 116.100 116.100 113.294 2.806 17873
35 1 2 . 1 1 5 5 THR HA H 5 4.700 4.700 4.702 -0.002 17873
36 1 2 . 1 1 5 5 THR CA C 5 58.610 58.610 60.288 -1.679 17873
37 1 2 . 1 1 5 5 THR CB C 5 77.640 77.640 69.894 7.746 17873
38 1 2 . 1 1 5 5 THR H H 5 8.510 8.510 7.975 0.535 17873
39 1 2 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.362 0.088 17873
40 1 2 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.145 -1.495 17873
41 1 2 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.708 1.642 17873
42 1 2 . 1 1 7 7 LEU N N 7 121.500 121.500 120.964 0.536 17873
43 1 2 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.451 -0.311 17873
44 1 2 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.054 0.426 17873
45 1 2 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.333 -0.693 17873
46 1 2 . 1 1 7 7 LEU H H 7 8.210 8.210 8.613 -0.403 17873
47 1 3 . 1 1 3 3 THR N N 3 113.400 113.400 113.514 -0.114 17873
48 1 3 . 1 1 3 3 THR HA H 3 4.420 4.420 4.475 -0.055 17873
49 1 3 . 1 1 3 3 THR CA C 3 61.800 61.800 62.010 -0.210 17873
50 1 3 . 1 1 3 3 THR CB C 3 69.860 69.860 69.387 0.473 17873
51 1 3 . 1 1 3 3 THR H H 3 8.280 8.280 8.551 -0.271 17873
52 1 3 . 1 1 4 4 THR N N 4 116.700 116.700 116.534 0.166 17873
53 1 3 . 1 1 4 4 THR HA H 4 4.500 4.500 4.582 -0.082 17873
54 1 3 . 1 1 4 4 THR CA C 4 61.590 61.590 61.401 0.189 17873
55 1 3 . 1 1 4 4 THR CB C 4 70.120 70.120 69.987 0.133 17873
56 1 3 . 1 1 4 4 THR H H 4 8.130 8.130 7.723 0.407 17873
57 1 3 . 1 1 5 5 THR N N 5 116.100 116.100 112.991 3.109 17873
58 1 3 . 1 1 5 5 THR HA H 5 4.700 4.700 4.625 0.075 17873
59 1 3 . 1 1 5 5 THR CA C 5 58.610 58.610 59.918 -1.308 17873
60 1 3 . 1 1 5 5 THR CB C 5 77.640 77.640 70.149 7.491 17873
61 1 3 . 1 1 5 5 THR H H 5 8.510 8.510 7.859 0.651 17873
62 1 3 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.359 0.091 17873
63 1 3 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.176 -0.526 17873
64 1 3 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.171 0.179 17873
65 1 3 . 1 1 7 7 LEU N N 7 121.500 121.500 123.975 -2.475 17873
66 1 3 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.439 -0.299 17873
67 1 3 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.506 -0.026 17873
68 1 3 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.461 0.179 17873
69 1 3 . 1 1 7 7 LEU H H 7 8.210 8.210 8.311 -0.101 17873
70 1 4 . 1 1 3 3 THR N N 3 113.400 113.400 114.187 -0.787 17873
71 1 4 . 1 1 3 3 THR HA H 3 4.420 4.420 4.641 -0.221 17873
72 1 4 . 1 1 3 3 THR CA C 3 61.800 61.800 61.942 -0.142 17873
73 1 4 . 1 1 3 3 THR CB C 3 69.860 69.860 70.281 -0.421 17873
74 1 4 . 1 1 3 3 THR H H 3 8.280 8.280 8.255 0.025 17873
75 1 4 . 1 1 4 4 THR N N 4 116.700 116.700 115.405 1.295 17873
76 1 4 . 1 1 4 4 THR HA H 4 4.500 4.500 4.813 -0.313 17873
77 1 4 . 1 1 4 4 THR CA C 4 61.590 61.590 61.281 0.309 17873
78 1 4 . 1 1 4 4 THR CB C 4 70.120 70.120 71.799 -1.679 17873
79 1 4 . 1 1 4 4 THR H H 4 8.130 8.130 8.426 -0.296 17873
80 1 4 . 1 1 5 5 THR N N 5 116.100 116.100 112.681 3.419 17873
81 1 4 . 1 1 5 5 THR HA H 5 4.700 4.700 4.709 -0.009 17873
82 1 4 . 1 1 5 5 THR CA C 5 58.610 58.610 59.788 -1.178 17873
83 1 4 . 1 1 5 5 THR CB C 5 77.640 77.640 69.843 7.797 17873
84 1 4 . 1 1 5 5 THR H H 5 8.510 8.510 8.157 0.353 17873
85 1 4 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.460 -0.010 17873
86 1 4 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.036 -0.386 17873
87 1 4 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.651 0.699 17873
88 1 4 . 1 1 7 7 LEU N N 7 121.500 121.500 122.506 -1.006 17873
89 1 4 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.495 -0.355 17873
90 1 4 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.987 0.493 17873
91 1 4 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.538 0.102 17873
92 1 4 . 1 1 7 7 LEU H H 7 8.210 8.210 7.966 0.244 17873
93 1 5 . 1 1 3 3 THR N N 3 113.400 113.400 114.748 -1.348 17873
94 1 5 . 1 1 3 3 THR HA H 3 4.420 4.420 4.837 -0.417 17873
95 1 5 . 1 1 3 3 THR CA C 3 61.800 61.800 62.282 -0.482 17873
96 1 5 . 1 1 3 3 THR CB C 3 69.860 69.860 68.394 1.466 17873
97 1 5 . 1 1 3 3 THR H H 3 8.280 8.280 8.583 -0.303 17873
98 1 5 . 1 1 4 4 THR N N 4 116.700 116.700 115.214 1.486 17873
99 1 5 . 1 1 4 4 THR HA H 4 4.500 4.500 5.085 -0.585 17873
100 1 5 . 1 1 4 4 THR CA C 4 61.590 61.590 61.334 0.256 17873
101 1 5 . 1 1 4 4 THR CB C 4 70.120 70.120 71.002 -0.882 17873
102 1 5 . 1 1 4 4 THR H H 4 8.130 8.130 8.155 -0.025 17873
103 1 5 . 1 1 5 5 THR N N 5 116.100 116.100 112.191 3.909 17873
104 1 5 . 1 1 5 5 THR HA H 5 4.700 4.700 4.668 0.032 17873
105 1 5 . 1 1 5 5 THR CA C 5 58.610 58.610 59.539 -0.929 17873
106 1 5 . 1 1 5 5 THR CB C 5 77.640 77.640 69.758 7.882 17873
107 1 5 . 1 1 5 5 THR H H 5 8.510 8.510 8.000 0.510 17873
108 1 5 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.378 0.072 17873
109 1 5 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.885 -1.235 17873
110 1 5 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.984 1.366 17873
111 1 5 . 1 1 7 7 LEU N N 7 121.500 121.500 123.558 -2.058 17873
112 1 5 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.669 -0.529 17873
113 1 5 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.475 1.005 17873
114 1 5 . 1 1 7 7 LEU CB C 7 42.640 42.640 44.785 -2.145 17873
115 1 5 . 1 1 7 7 LEU H H 7 8.210 8.210 8.072 0.138 17873
116 1 6 . 1 1 3 3 THR N N 3 113.400 113.400 113.926 -0.526 17873
117 1 6 . 1 1 3 3 THR HA H 3 4.420 4.420 4.425 -0.005 17873
118 1 6 . 1 1 3 3 THR CA C 3 61.800 61.800 63.295 -1.495 17873
119 1 6 . 1 1 3 3 THR CB C 3 69.860 69.860 69.226 0.634 17873
120 1 6 . 1 1 3 3 THR H H 3 8.280 8.280 8.269 0.011 17873
121 1 6 . 1 1 4 4 THR N N 4 116.700 116.700 115.391 1.309 17873
122 1 6 . 1 1 4 4 THR HA H 4 4.500 4.500 4.696 -0.196 17873
123 1 6 . 1 1 4 4 THR CA C 4 61.590 61.590 61.362 0.228 17873
124 1 6 . 1 1 4 4 THR CB C 4 70.120 70.120 71.666 -1.546 17873
125 1 6 . 1 1 4 4 THR H H 4 8.130 8.130 8.148 -0.018 17873
126 1 6 . 1 1 5 5 THR N N 5 116.100 116.100 112.917 3.183 17873
127 1 6 . 1 1 5 5 THR HA H 5 4.700 4.700 4.656 0.044 17873
128 1 6 . 1 1 5 5 THR CA C 5 58.610 58.610 59.360 -0.750 17873
129 1 6 . 1 1 5 5 THR CB C 5 77.640 77.640 69.546 8.094 17873
130 1 6 . 1 1 5 5 THR H H 5 8.510 8.510 7.939 0.571 17873
131 1 6 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.375 0.075 17873
132 1 6 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.765 -0.115 17873
133 1 6 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.322 0.028 17873
134 1 6 . 1 1 7 7 LEU N N 7 121.500 121.500 119.296 2.204 17873
135 1 6 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.248 -0.108 17873
136 1 6 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.780 -0.300 17873
137 1 6 . 1 1 7 7 LEU CB C 7 42.640 42.640 40.386 2.254 17873
138 1 6 . 1 1 7 7 LEU H H 7 8.210 8.210 8.339 -0.129 17873
139 1 7 . 1 1 3 3 THR N N 3 113.400 113.400 114.174 -0.774 17873
140 1 7 . 1 1 3 3 THR HA H 3 4.420 4.420 5.039 -0.619 17873
141 1 7 . 1 1 3 3 THR CA C 3 61.800 61.800 61.590 0.210 17873
142 1 7 . 1 1 3 3 THR CB C 3 69.860 69.860 70.210 -0.350 17873
143 1 7 . 1 1 3 3 THR H H 3 8.280 8.280 8.496 -0.216 17873
144 1 7 . 1 1 4 4 THR N N 4 116.700 116.700 117.124 -0.424 17873
145 1 7 . 1 1 4 4 THR HA H 4 4.500 4.500 4.732 -0.232 17873
146 1 7 . 1 1 4 4 THR CA C 4 61.590 61.590 61.583 0.007 17873
147 1 7 . 1 1 4 4 THR CB C 4 70.120 70.120 70.640 -0.520 17873
148 1 7 . 1 1 4 4 THR H H 4 8.130 8.130 8.756 -0.626 17873
149 1 7 . 1 1 5 5 THR N N 5 116.100 116.100 113.743 2.357 17873
150 1 7 . 1 1 5 5 THR HA H 5 4.700 4.700 4.617 0.083 17873
151 1 7 . 1 1 5 5 THR CA C 5 58.610 58.610 59.742 -1.132 17873
152 1 7 . 1 1 5 5 THR CB C 5 77.640 77.640 69.387 8.253 17873
153 1 7 . 1 1 5 5 THR H H 5 8.510 8.510 7.914 0.596 17873
154 1 7 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.345 0.105 17873
155 1 7 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.042 -0.392 17873
156 1 7 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.080 0.270 17873
157 1 7 . 1 1 7 7 LEU N N 7 121.500 121.500 124.908 -3.408 17873
158 1 7 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.294 -0.154 17873
159 1 7 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.973 0.507 17873
160 1 7 . 1 1 7 7 LEU CB C 7 42.640 42.640 40.466 2.174 17873
161 1 7 . 1 1 7 7 LEU H H 7 8.210 8.210 8.431 -0.221 17873
162 1 8 . 1 1 3 3 THR N N 3 113.400 113.400 115.534 -2.134 17873
163 1 8 . 1 1 3 3 THR HA H 3 4.420 4.420 4.659 -0.239 17873
164 1 8 . 1 1 3 3 THR CA C 3 61.800 61.800 62.193 -0.393 17873
165 1 8 . 1 1 3 3 THR CB C 3 69.860 69.860 69.625 0.235 17873
166 1 8 . 1 1 3 3 THR H H 3 8.280 8.280 8.134 0.146 17873
167 1 8 . 1 1 4 4 THR N N 4 116.700 116.700 116.269 0.431 17873
168 1 8 . 1 1 4 4 THR HA H 4 4.500 4.500 4.608 -0.108 17873
169 1 8 . 1 1 4 4 THR CA C 4 61.590 61.590 61.655 -0.065 17873
170 1 8 . 1 1 4 4 THR CB C 4 70.120 70.120 70.455 -0.335 17873
171 1 8 . 1 1 4 4 THR H H 4 8.130 8.130 8.382 -0.252 17873
172 1 8 . 1 1 5 5 THR N N 5 116.100 116.100 114.802 1.298 17873
173 1 8 . 1 1 5 5 THR HA H 5 4.700 4.700 4.627 0.073 17873
174 1 8 . 1 1 5 5 THR CA C 5 58.610 58.610 59.817 -1.207 17873
175 1 8 . 1 1 5 5 THR CB C 5 77.640 77.640 69.182 8.458 17873
176 1 8 . 1 1 5 5 THR H H 5 8.510 8.510 7.892 0.618 17873
177 1 8 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.406 0.044 17873
178 1 8 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.760 -1.110 17873
179 1 8 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.868 1.482 17873
180 1 8 . 1 1 7 7 LEU N N 7 121.500 121.500 123.398 -1.898 17873
181 1 8 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.712 -0.572 17873
182 1 8 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.904 0.576 17873
183 1 8 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.872 -1.232 17873
184 1 8 . 1 1 7 7 LEU H H 7 8.210 8.210 8.338 -0.128 17873
185 1 9 . 1 1 3 3 THR N N 3 113.400 113.400 118.747 -5.347 17873
186 1 9 . 1 1 3 3 THR HA H 3 4.420 4.420 4.496 -0.076 17873
187 1 9 . 1 1 3 3 THR CA C 3 61.800 61.800 61.767 0.033 17873
188 1 9 . 1 1 3 3 THR CB C 3 69.860 69.860 68.060 1.800 17873
189 1 9 . 1 1 3 3 THR H H 3 8.280 8.280 8.433 -0.153 17873
190 1 9 . 1 1 4 4 THR N N 4 116.700 116.700 114.857 1.843 17873
191 1 9 . 1 1 4 4 THR HA H 4 4.500 4.500 4.555 -0.055 17873
192 1 9 . 1 1 4 4 THR CA C 4 61.590 61.590 61.334 0.256 17873
193 1 9 . 1 1 4 4 THR CB C 4 70.120 70.120 71.056 -0.936 17873
194 1 9 . 1 1 4 4 THR H H 4 8.130 8.130 7.517 0.613 17873
195 1 9 . 1 1 5 5 THR N N 5 116.100 116.100 111.170 4.930 17873
196 1 9 . 1 1 5 5 THR HA H 5 4.700 4.700 4.646 0.054 17873
197 1 9 . 1 1 5 5 THR CA C 5 58.610 58.610 59.600 -0.990 17873
198 1 9 . 1 1 5 5 THR CB C 5 77.640 77.640 69.758 7.882 17873
199 1 9 . 1 1 5 5 THR H H 5 8.510 8.510 7.874 0.636 17873
200 1 9 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.381 0.069 17873
201 1 9 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.881 -1.231 17873
202 1 9 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.036 1.314 17873
203 1 9 . 1 1 7 7 LEU N N 7 121.500 121.500 123.346 -1.846 17873
204 1 9 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.570 -0.430 17873
205 1 9 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.047 1.433 17873
206 1 9 . 1 1 7 7 LEU CB C 7 42.640 42.640 44.702 -2.062 17873
207 1 9 . 1 1 7 7 LEU H H 7 8.210 8.210 8.039 0.171 17873
208 1 10 . 1 1 3 3 THR N N 3 113.400 113.400 113.380 0.020 17873
209 1 10 . 1 1 3 3 THR HA H 3 4.420 4.420 4.340 0.080 17873
210 1 10 . 1 1 3 3 THR CA C 3 61.800 61.800 62.101 -0.301 17873
211 1 10 . 1 1 3 3 THR CB C 3 69.860 69.860 69.147 0.713 17873
212 1 10 . 1 1 3 3 THR H H 3 8.280 8.280 8.201 0.079 17873
213 1 10 . 1 1 4 4 THR N N 4 116.700 116.700 113.923 2.777 17873
214 1 10 . 1 1 4 4 THR HA H 4 4.500 4.500 4.581 -0.081 17873
215 1 10 . 1 1 4 4 THR CA C 4 61.590 61.590 61.350 0.240 17873
216 1 10 . 1 1 4 4 THR CB C 4 70.120 70.120 71.581 -1.461 17873
217 1 10 . 1 1 4 4 THR H H 4 8.130 8.130 7.599 0.531 17873
218 1 10 . 1 1 5 5 THR N N 5 116.100 116.100 112.459 3.641 17873
219 1 10 . 1 1 5 5 THR HA H 5 4.700 4.700 4.638 0.062 17873
220 1 10 . 1 1 5 5 THR CA C 5 58.610 58.610 59.203 -0.593 17873
221 1 10 . 1 1 5 5 THR CB C 5 77.640 77.640 69.664 7.976 17873
222 1 10 . 1 1 5 5 THR H H 5 8.510 8.510 7.933 0.577 17873
223 1 10 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.294 0.156 17873
224 1 10 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.237 -1.587 17873
225 1 10 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.624 1.726 17873
226 1 10 . 1 1 7 7 LEU N N 7 121.500 121.500 121.677 -0.177 17873
227 1 10 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.404 -0.264 17873
228 1 10 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.510 -0.030 17873
229 1 10 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.728 -1.088 17873
230 1 10 . 1 1 7 7 LEU H H 7 8.210 8.210 8.473 -0.263 17873
231 1 11 . 1 1 3 3 THR N N 3 113.400 113.400 116.985 -3.585 17873
232 1 11 . 1 1 3 3 THR HA H 3 4.420 4.420 4.546 -0.126 17873
233 1 11 . 1 1 3 3 THR CA C 3 61.800 61.800 62.154 -0.354 17873
234 1 11 . 1 1 3 3 THR CB C 3 69.860 69.860 67.952 1.908 17873
235 1 11 . 1 1 3 3 THR H H 3 8.280 8.280 8.287 -0.007 17873
236 1 11 . 1 1 4 4 THR N N 4 116.700 116.700 120.229 -3.529 17873
237 1 11 . 1 1 4 4 THR HA H 4 4.500 4.500 4.700 -0.200 17873
238 1 11 . 1 1 4 4 THR CA C 4 61.590 61.590 61.103 0.487 17873
239 1 11 . 1 1 4 4 THR CB C 4 70.120 70.120 70.445 -0.325 17873
240 1 11 . 1 1 4 4 THR H H 4 8.130 8.130 7.902 0.228 17873
241 1 11 . 1 1 5 5 THR N N 5 116.100 116.100 114.133 1.967 17873
242 1 11 . 1 1 5 5 THR HA H 5 4.700 4.700 4.705 -0.005 17873
243 1 11 . 1 1 5 5 THR CA C 5 58.610 58.610 59.972 -1.362 17873
244 1 11 . 1 1 5 5 THR CB C 5 77.640 77.640 69.142 8.498 17873
245 1 11 . 1 1 5 5 THR H H 5 8.510 8.510 7.951 0.559 17873
246 1 11 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.360 0.090 17873
247 1 11 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.978 -0.328 17873
248 1 11 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.034 0.316 17873
249 1 11 . 1 1 7 7 LEU N N 7 121.500 121.500 124.673 -3.173 17873
250 1 11 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.337 -0.197 17873
251 1 11 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.529 -0.049 17873
252 1 11 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.993 0.647 17873
253 1 11 . 1 1 7 7 LEU H H 7 8.210 8.210 8.437 -0.227 17873
254 1 12 . 1 1 3 3 THR N N 3 113.400 113.400 114.497 -1.097 17873
255 1 12 . 1 1 3 3 THR HA H 3 4.420 4.420 4.442 -0.022 17873
256 1 12 . 1 1 3 3 THR CA C 3 61.800 61.800 62.662 -0.862 17873
257 1 12 . 1 1 3 3 THR CB C 3 69.860 69.860 69.086 0.774 17873
258 1 12 . 1 1 3 3 THR H H 3 8.280 8.280 8.397 -0.117 17873
259 1 12 . 1 1 4 4 THR N N 4 116.700 116.700 114.447 2.253 17873
260 1 12 . 1 1 4 4 THR HA H 4 4.500 4.500 4.714 -0.214 17873
261 1 12 . 1 1 4 4 THR CA C 4 61.590 61.590 60.854 0.736 17873
262 1 12 . 1 1 4 4 THR CB C 4 70.120 70.120 71.460 -1.340 17873
263 1 12 . 1 1 4 4 THR H H 4 8.130 8.130 7.846 0.284 17873
264 1 12 . 1 1 5 5 THR N N 5 116.100 116.100 113.408 2.692 17873
265 1 12 . 1 1 5 5 THR HA H 5 4.700 4.700 4.608 0.092 17873
266 1 12 . 1 1 5 5 THR CA C 5 58.610 58.610 59.725 -1.115 17873
267 1 12 . 1 1 5 5 THR CB C 5 77.640 77.640 69.204 8.436 17873
268 1 12 . 1 1 5 5 THR H H 5 8.510 8.510 7.996 0.514 17873
269 1 12 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.423 0.027 17873
270 1 12 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.980 -0.329 17873
271 1 12 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.822 0.528 17873
272 1 12 . 1 1 7 7 LEU N N 7 121.500 121.500 120.408 1.092 17873
273 1 12 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.499 -0.359 17873
274 1 12 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.591 0.889 17873
275 1 12 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.965 0.675 17873
276 1 12 . 1 1 7 7 LEU H H 7 8.210 8.210 8.142 0.068 17873
277 1 13 . 1 1 3 3 THR N N 3 113.400 113.400 113.163 0.237 17873
278 1 13 . 1 1 3 3 THR HA H 3 4.420 4.420 4.405 0.015 17873
279 1 13 . 1 1 3 3 THR CA C 3 61.800 61.800 63.302 -1.502 17873
280 1 13 . 1 1 3 3 THR CB C 3 69.860 69.860 69.153 0.707 17873
281 1 13 . 1 1 3 3 THR H H 3 8.280 8.280 8.243 0.037 17873
282 1 13 . 1 1 4 4 THR N N 4 116.700 116.700 115.741 0.959 17873
283 1 13 . 1 1 4 4 THR HA H 4 4.500 4.500 4.532 -0.032 17873
284 1 13 . 1 1 4 4 THR CA C 4 61.590 61.590 61.733 -0.143 17873
285 1 13 . 1 1 4 4 THR CB C 4 70.120 70.120 70.073 0.047 17873
286 1 13 . 1 1 4 4 THR H H 4 8.130 8.130 7.871 0.259 17873
287 1 13 . 1 1 5 5 THR N N 5 116.100 116.100 112.880 3.220 17873
288 1 13 . 1 1 5 5 THR HA H 5 4.700 4.700 4.594 0.106 17873
289 1 13 . 1 1 5 5 THR CA C 5 58.610 58.610 58.912 -0.302 17873
290 1 13 . 1 1 5 5 THR CB C 5 77.640 77.640 69.900 7.740 17873
291 1 13 . 1 1 5 5 THR H H 5 8.510 8.510 7.792 0.718 17873
292 1 13 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.413 0.037 17873
293 1 13 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.190 -0.540 17873
294 1 13 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.887 0.463 17873
295 1 13 . 1 1 7 7 LEU N N 7 121.500 121.500 120.393 1.107 17873
296 1 13 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.602 -0.462 17873
297 1 13 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.346 1.133 17873
298 1 13 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.451 0.189 17873
299 1 13 . 1 1 7 7 LEU H H 7 8.210 8.210 7.954 0.256 17873
300 1 14 . 1 1 3 3 THR N N 3 113.400 113.400 114.744 -1.344 17873
301 1 14 . 1 1 3 3 THR HA H 3 4.420 4.420 5.031 -0.611 17873
302 1 14 . 1 1 3 3 THR CA C 3 61.800 61.800 61.873 -0.073 17873
303 1 14 . 1 1 3 3 THR CB C 3 69.860 69.860 70.124 -0.264 17873
304 1 14 . 1 1 3 3 THR H H 3 8.280 8.280 8.749 -0.469 17873
305 1 14 . 1 1 4 4 THR N N 4 116.700 116.700 117.069 -0.369 17873
306 1 14 . 1 1 4 4 THR HA H 4 4.500 4.500 4.935 -0.435 17873
307 1 14 . 1 1 4 4 THR CA C 4 61.590 61.590 61.059 0.531 17873
308 1 14 . 1 1 4 4 THR CB C 4 70.120 70.120 71.355 -1.235 17873
309 1 14 . 1 1 4 4 THR H H 4 8.130 8.130 8.412 -0.282 17873
310 1 14 . 1 1 5 5 THR N N 5 116.100 116.100 113.377 2.723 17873
311 1 14 . 1 1 5 5 THR HA H 5 4.700 4.700 4.608 0.092 17873
312 1 14 . 1 1 5 5 THR CA C 5 58.610 58.610 59.247 -0.637 17873
313 1 14 . 1 1 5 5 THR CB C 5 77.640 77.640 69.942 7.698 17873
314 1 14 . 1 1 5 5 THR H H 5 8.510 8.510 8.047 0.463 17873
315 1 14 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.308 0.142 17873
316 1 14 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.165 -1.515 17873
317 1 14 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.955 1.395 17873
318 1 14 . 1 1 7 7 LEU N N 7 121.500 121.500 120.252 1.248 17873
319 1 14 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.411 -0.271 17873
320 1 14 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.338 0.142 17873
321 1 14 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.729 -1.089 17873
322 1 14 . 1 1 7 7 LEU H H 7 8.210 8.210 8.623 -0.413 17873
323 1 15 . 1 1 3 3 THR N N 3 113.400 113.400 114.533 -1.133 17873
324 1 15 . 1 1 3 3 THR HA H 3 4.420 4.420 4.468 -0.048 17873
325 1 15 . 1 1 3 3 THR CA C 3 61.800 61.800 63.678 -1.878 17873
326 1 15 . 1 1 3 3 THR CB C 3 69.860 69.860 68.894 0.966 17873
327 1 15 . 1 1 3 3 THR H H 3 8.280 8.280 8.188 0.092 17873
328 1 15 . 1 1 4 4 THR N N 4 116.700 116.700 114.710 1.990 17873
329 1 15 . 1 1 4 4 THR HA H 4 4.500 4.500 4.699 -0.199 17873
330 1 15 . 1 1 4 4 THR CA C 4 61.590 61.590 61.531 0.059 17873
331 1 15 . 1 1 4 4 THR CB C 4 70.120 70.120 72.470 -2.350 17873
332 1 15 . 1 1 4 4 THR H H 4 8.130 8.130 8.265 -0.135 17873
333 1 15 . 1 1 5 5 THR N N 5 116.100 116.100 113.748 2.352 17873
334 1 15 . 1 1 5 5 THR HA H 5 4.700 4.700 4.687 0.013 17873
335 1 15 . 1 1 5 5 THR CA C 5 58.610 58.610 59.455 -0.845 17873
336 1 15 . 1 1 5 5 THR CB C 5 77.640 77.640 69.828 7.812 17873
337 1 15 . 1 1 5 5 THR H H 5 8.510 8.510 7.865 0.645 17873
338 1 15 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.351 0.099 17873
339 1 15 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.882 -1.232 17873
340 1 15 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.028 1.322 17873
341 1 15 . 1 1 7 7 LEU N N 7 121.500 121.500 123.580 -2.080 17873
342 1 15 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.700 -0.560 17873
343 1 15 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.885 0.595 17873
344 1 15 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.882 -1.242 17873
345 1 15 . 1 1 7 7 LEU H H 7 8.210 8.210 8.306 -0.096 17873
346 1 16 . 1 1 3 3 THR N N 3 113.400 113.400 114.029 -0.629 17873
347 1 16 . 1 1 3 3 THR HA H 3 4.420 4.420 4.498 -0.078 17873
348 1 16 . 1 1 3 3 THR CA C 3 61.800 61.800 62.707 -0.907 17873
349 1 16 . 1 1 3 3 THR CB C 3 69.860 69.860 69.404 0.456 17873
350 1 16 . 1 1 3 3 THR H H 3 8.280 8.280 8.139 0.141 17873
351 1 16 . 1 1 4 4 THR N N 4 116.700 116.700 115.685 1.015 17873
352 1 16 . 1 1 4 4 THR HA H 4 4.500 4.500 4.777 -0.277 17873
353 1 16 . 1 1 4 4 THR CA C 4 61.590 61.590 61.684 -0.094 17873
354 1 16 . 1 1 4 4 THR CB C 4 70.120 70.120 71.629 -1.509 17873
355 1 16 . 1 1 4 4 THR H H 4 8.130 8.130 8.026 0.104 17873
356 1 16 . 1 1 5 5 THR N N 5 116.100 116.100 112.942 3.158 17873
357 1 16 . 1 1 5 5 THR HA H 5 4.700 4.700 4.706 -0.006 17873
358 1 16 . 1 1 5 5 THR CA C 5 58.610 58.610 59.282 -0.672 17873
359 1 16 . 1 1 5 5 THR CB C 5 77.640 77.640 70.534 7.106 17873
360 1 16 . 1 1 5 5 THR H H 5 8.510 8.510 7.987 0.523 17873
361 1 16 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.305 0.145 17873
362 1 16 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.370 -0.720 17873
363 1 16 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.998 1.352 17873
364 1 16 . 1 1 7 7 LEU N N 7 121.500 121.500 124.152 -2.652 17873
365 1 16 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.182 -0.042 17873
366 1 16 . 1 1 7 7 LEU CA C 7 55.480 55.480 56.348 -0.868 17873
367 1 16 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.531 0.109 17873
368 1 16 . 1 1 7 7 LEU H H 7 8.210 8.210 8.691 -0.481 17873
369 1 17 . 1 1 3 3 THR N N 3 113.400 113.400 115.383 -1.983 17873
370 1 17 . 1 1 3 3 THR HA H 3 4.420 4.420 4.513 -0.093 17873
371 1 17 . 1 1 3 3 THR CA C 3 61.800 61.800 61.336 0.464 17873
372 1 17 . 1 1 3 3 THR CB C 3 69.860 69.860 69.848 0.012 17873
373 1 17 . 1 1 3 3 THR H H 3 8.280 8.280 8.314 -0.034 17873
374 1 17 . 1 1 4 4 THR N N 4 116.700 116.700 115.801 0.899 17873
375 1 17 . 1 1 4 4 THR HA H 4 4.500 4.500 4.597 -0.097 17873
376 1 17 . 1 1 4 4 THR CA C 4 61.590 61.590 61.637 -0.047 17873
377 1 17 . 1 1 4 4 THR CB C 4 70.120 70.120 69.562 0.558 17873
378 1 17 . 1 1 4 4 THR H H 4 8.130 8.130 8.306 -0.176 17873
379 1 17 . 1 1 5 5 THR N N 5 116.100 116.100 116.387 -0.287 17873
380 1 17 . 1 1 5 5 THR HA H 5 4.700 4.700 4.700 -0.000 17873
381 1 17 . 1 1 5 5 THR CA C 5 58.610 58.610 58.902 -0.292 17873
382 1 17 . 1 1 5 5 THR CB C 5 77.640 77.640 69.697 7.943 17873
383 1 17 . 1 1 5 5 THR H H 5 8.510 8.510 7.939 0.571 17873
384 1 17 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.301 0.149 17873
385 1 17 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.146 -1.496 17873
386 1 17 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.071 1.279 17873
387 1 17 . 1 1 7 7 LEU N N 7 121.500 121.500 121.111 0.389 17873
388 1 17 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.355 -0.215 17873
389 1 17 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.483 -0.003 17873
390 1 17 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.223 -0.583 17873
391 1 17 . 1 1 7 7 LEU H H 7 8.210 8.210 8.386 -0.176 17873
392 1 18 . 1 1 3 3 THR N N 3 113.400 113.400 114.534 -1.134 17873
393 1 18 . 1 1 3 3 THR HA H 3 4.420 4.420 4.433 -0.013 17873
394 1 18 . 1 1 3 3 THR CA C 3 61.800 61.800 63.730 -1.930 17873
395 1 18 . 1 1 3 3 THR CB C 3 69.860 69.860 69.138 0.722 17873
396 1 18 . 1 1 3 3 THR H H 3 8.280 8.280 8.408 -0.128 17873
397 1 18 . 1 1 4 4 THR N N 4 116.700 116.700 115.044 1.656 17873
398 1 18 . 1 1 4 4 THR HA H 4 4.500 4.500 4.820 -0.320 17873
399 1 18 . 1 1 4 4 THR CA C 4 61.590 61.590 61.454 0.136 17873
400 1 18 . 1 1 4 4 THR CB C 4 70.120 70.120 71.493 -1.373 17873
401 1 18 . 1 1 4 4 THR H H 4 8.130 8.130 8.226 -0.096 17873
402 1 18 . 1 1 5 5 THR N N 5 116.100 116.100 112.272 3.828 17873
403 1 18 . 1 1 5 5 THR HA H 5 4.700 4.700 4.642 0.058 17873
404 1 18 . 1 1 5 5 THR CA C 5 58.610 58.610 59.538 -0.928 17873
405 1 18 . 1 1 5 5 THR CB C 5 77.640 77.640 69.538 8.102 17873
406 1 18 . 1 1 5 5 THR H H 5 8.510 8.510 7.945 0.565 17873
407 1 18 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.327 0.123 17873
408 1 18 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.011 -0.361 17873
409 1 18 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.062 0.288 17873
410 1 18 . 1 1 7 7 LEU N N 7 121.500 121.500 123.342 -1.842 17873
411 1 18 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.354 -0.214 17873
412 1 18 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.335 0.145 17873
413 1 18 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.245 0.395 17873
414 1 18 . 1 1 7 7 LEU H H 7 8.210 8.210 8.247 -0.037 17873
415 1 19 . 1 1 3 3 THR N N 3 113.400 113.400 115.986 -2.586 17873
416 1 19 . 1 1 3 3 THR HA H 3 4.420 4.420 4.381 0.039 17873
417 1 19 . 1 1 3 3 THR CA C 3 61.800 61.800 61.329 0.471 17873
418 1 19 . 1 1 3 3 THR CB C 3 69.860 69.860 68.434 1.426 17873
419 1 19 . 1 1 3 3 THR H H 3 8.280 8.280 8.161 0.119 17873
420 1 19 . 1 1 4 4 THR N N 4 116.700 116.700 117.613 -0.913 17873
421 1 19 . 1 1 4 4 THR HA H 4 4.500 4.500 4.436 0.064 17873
422 1 19 . 1 1 4 4 THR CA C 4 61.590 61.590 61.912 -0.322 17873
423 1 19 . 1 1 4 4 THR CB C 4 70.120 70.120 69.840 0.280 17873
424 1 19 . 1 1 4 4 THR H H 4 8.130 8.130 7.576 0.554 17873
425 1 19 . 1 1 5 5 THR N N 5 116.100 116.100 116.352 -0.252 17873
426 1 19 . 1 1 5 5 THR HA H 5 4.700 4.700 4.636 0.064 17873
427 1 19 . 1 1 5 5 THR CA C 5 58.610 58.610 59.238 -0.628 17873
428 1 19 . 1 1 5 5 THR CB C 5 77.640 77.640 69.087 8.553 17873
429 1 19 . 1 1 5 5 THR H H 5 8.510 8.510 8.104 0.406 17873
430 1 19 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.359 0.091 17873
431 1 19 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.963 -1.313 17873
432 1 19 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.743 1.607 17873
433 1 19 . 1 1 7 7 LEU N N 7 121.500 121.500 121.129 0.371 17873
434 1 19 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.380 -0.240 17873
435 1 19 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.373 0.106 17873
436 1 19 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.255 -0.615 17873
437 1 19 . 1 1 7 7 LEU H H 7 8.210 8.210 8.450 -0.240 17873
438 1 20 . 1 1 3 3 THR N N 3 113.400 113.400 113.762 -0.362 17873
439 1 20 . 1 1 3 3 THR HA H 3 4.420 4.420 4.426 -0.006 17873
440 1 20 . 1 1 3 3 THR CA C 3 61.800 61.800 63.454 -1.654 17873
441 1 20 . 1 1 3 3 THR CB C 3 69.860 69.860 69.150 0.710 17873
442 1 20 . 1 1 3 3 THR H H 3 8.280 8.280 8.164 0.116 17873
443 1 20 . 1 1 4 4 THR N N 4 116.700 116.700 113.830 2.870 17873
444 1 20 . 1 1 4 4 THR HA H 4 4.500 4.500 4.835 -0.335 17873
445 1 20 . 1 1 4 4 THR CA C 4 61.590 61.590 61.175 0.415 17873
446 1 20 . 1 1 4 4 THR CB C 4 70.120 70.120 71.435 -1.315 17873
447 1 20 . 1 1 4 4 THR H H 4 8.130 8.130 8.073 0.057 17873
448 1 20 . 1 1 5 5 THR N N 5 116.100 116.100 112.146 3.954 17873
449 1 20 . 1 1 5 5 THR HA H 5 4.700 4.700 4.651 0.049 17873
450 1 20 . 1 1 5 5 THR CA C 5 58.610 58.610 59.565 -0.955 17873
451 1 20 . 1 1 5 5 THR CB C 5 77.640 77.640 69.425 8.215 17873
452 1 20 . 1 1 5 5 THR H H 5 8.510 8.510 7.961 0.549 17873
453 1 20 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.317 0.133 17873
454 1 20 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.747 -0.097 17873
455 1 20 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.193 0.157 17873
456 1 20 . 1 1 7 7 LEU N N 7 121.500 121.500 124.293 -2.793 17873
457 1 20 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.276 -0.136 17873
458 1 20 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.922 0.558 17873
459 1 20 . 1 1 7 7 LEU CB C 7 42.640 42.640 40.736 1.904 17873
460 1 20 . 1 1 7 7 LEU H H 7 8.210 8.210 8.432 -0.222 17873
461 1 21 . 1 1 3 3 THR N N 3 113.400 113.400 112.413 0.987 17873
462 1 21 . 1 1 3 3 THR HA H 3 4.420 4.420 4.527 -0.107 17873
463 1 21 . 1 1 3 3 THR CA C 3 61.800 61.800 63.014 -1.214 17873
464 1 21 . 1 1 3 3 THR CB C 3 69.860 69.860 70.333 -0.473 17873
465 1 21 . 1 1 3 3 THR H H 3 8.280 8.280 8.250 0.030 17873
466 1 21 . 1 1 4 4 THR N N 4 116.700 116.700 116.870 -0.170 17873
467 1 21 . 1 1 4 4 THR HA H 4 4.500 4.500 4.857 -0.357 17873
468 1 21 . 1 1 4 4 THR CA C 4 61.590 61.590 61.655 -0.065 17873
469 1 21 . 1 1 4 4 THR CB C 4 70.120 70.120 71.146 -1.026 17873
470 1 21 . 1 1 4 4 THR H H 4 8.130 8.130 8.091 0.039 17873
471 1 21 . 1 1 5 5 THR N N 5 116.100 116.100 112.779 3.321 17873
472 1 21 . 1 1 5 5 THR HA H 5 4.700 4.700 4.655 0.045 17873
473 1 21 . 1 1 5 5 THR CA C 5 58.610 58.610 59.670 -1.060 17873
474 1 21 . 1 1 5 5 THR CB C 5 77.640 77.640 69.369 8.271 17873
475 1 21 . 1 1 5 5 THR H H 5 8.510 8.510 7.863 0.647 17873
476 1 21 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.416 0.034 17873
477 1 21 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.135 -0.485 17873
478 1 21 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.957 0.393 17873
479 1 21 . 1 1 7 7 LEU N N 7 121.500 121.500 119.835 1.665 17873
480 1 21 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.596 -0.456 17873
481 1 21 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.514 0.966 17873
482 1 21 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.426 0.214 17873
483 1 21 . 1 1 7 7 LEU H H 7 8.210 8.210 8.011 0.199 17873
484 1 22 . 1 1 3 3 THR N N 3 113.400 113.400 115.609 -2.209 17873
485 1 22 . 1 1 3 3 THR HA H 3 4.420 4.420 4.530 -0.110 17873
486 1 22 . 1 1 3 3 THR CA C 3 61.800 61.800 63.149 -1.349 17873
487 1 22 . 1 1 3 3 THR CB C 3 69.860 69.860 69.154 0.706 17873
488 1 22 . 1 1 3 3 THR H H 3 8.280 8.280 8.284 -0.004 17873
489 1 22 . 1 1 4 4 THR N N 4 116.700 116.700 116.587 0.113 17873
490 1 22 . 1 1 4 4 THR HA H 4 4.500 4.500 4.524 -0.024 17873
491 1 22 . 1 1 4 4 THR CA C 4 61.590 61.590 61.228 0.362 17873
492 1 22 . 1 1 4 4 THR CB C 4 70.120 70.120 70.779 -0.659 17873
493 1 22 . 1 1 4 4 THR H H 4 8.130 8.130 7.444 0.686 17873
494 1 22 . 1 1 5 5 THR N N 5 116.100 116.100 113.046 3.054 17873
495 1 22 . 1 1 5 5 THR HA H 5 4.700 4.700 4.675 0.025 17873
496 1 22 . 1 1 5 5 THR CA C 5 58.610 58.610 59.694 -1.084 17873
497 1 22 . 1 1 5 5 THR CB C 5 77.640 77.640 69.810 7.830 17873
498 1 22 . 1 1 5 5 THR H H 5 8.510 8.510 7.938 0.572 17873
499 1 22 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.353 0.097 17873
500 1 22 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.252 -0.602 17873
501 1 22 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.853 1.497 17873
502 1 22 . 1 1 7 7 LEU N N 7 121.500 121.500 123.741 -2.241 17873
503 1 22 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.166 -0.026 17873
504 1 22 . 1 1 7 7 LEU CA C 7 55.480 55.480 56.316 -0.836 17873
505 1 22 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.691 -0.051 17873
506 1 22 . 1 1 7 7 LEU H H 7 8.210 8.210 8.703 -0.493 17873
507 1 23 . 1 1 3 3 THR N N 3 113.400 113.400 115.728 -2.328 17873
508 1 23 . 1 1 3 3 THR HA H 3 4.420 4.420 4.487 -0.067 17873
509 1 23 . 1 1 3 3 THR CA C 3 61.800 61.800 62.887 -1.087 17873
510 1 23 . 1 1 3 3 THR CB C 3 69.860 69.860 68.831 1.029 17873
511 1 23 . 1 1 3 3 THR H H 3 8.280 8.280 8.380 -0.100 17873
512 1 23 . 1 1 4 4 THR N N 4 116.700 116.700 114.911 1.789 17873
513 1 23 . 1 1 4 4 THR HA H 4 4.500 4.500 4.546 -0.046 17873
514 1 23 . 1 1 4 4 THR CA C 4 61.590 61.590 60.794 0.796 17873
515 1 23 . 1 1 4 4 THR CB C 4 70.120 70.120 70.766 -0.646 17873
516 1 23 . 1 1 4 4 THR H H 4 8.130 8.130 7.378 0.752 17873
517 1 23 . 1 1 5 5 THR N N 5 116.100 116.100 113.300 2.800 17873
518 1 23 . 1 1 5 5 THR HA H 5 4.700 4.700 4.620 0.080 17873
519 1 23 . 1 1 5 5 THR CA C 5 58.610 58.610 59.661 -1.051 17873
520 1 23 . 1 1 5 5 THR CB C 5 77.640 77.640 69.808 7.832 17873
521 1 23 . 1 1 5 5 THR H H 5 8.510 8.510 7.953 0.557 17873
522 1 23 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.393 0.057 17873
523 1 23 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.212 -0.562 17873
524 1 23 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.856 0.494 17873
525 1 23 . 1 1 7 7 LEU N N 7 121.500 121.500 122.501 -1.001 17873
526 1 23 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.400 -0.260 17873
527 1 23 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.413 1.067 17873
528 1 23 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.916 0.724 17873
529 1 23 . 1 1 7 7 LEU H H 7 8.210 8.210 8.013 0.197 17873
530 1 24 . 1 1 3 3 THR N N 3 113.400 113.400 119.048 -5.648 17873
531 1 24 . 1 1 3 3 THR HA H 3 4.420 4.420 4.584 -0.164 17873
532 1 24 . 1 1 3 3 THR CA C 3 61.800 61.800 62.686 -0.886 17873
533 1 24 . 1 1 3 3 THR CB C 3 69.860 69.860 68.298 1.562 17873
534 1 24 . 1 1 3 3 THR H H 3 8.280 8.280 8.424 -0.144 17873
535 1 24 . 1 1 4 4 THR N N 4 116.700 116.700 118.013 -1.313 17873
536 1 24 . 1 1 4 4 THR HA H 4 4.500 4.500 4.654 -0.154 17873
537 1 24 . 1 1 4 4 THR CA C 4 61.590 61.590 61.424 0.166 17873
538 1 24 . 1 1 4 4 THR CB C 4 70.120 70.120 71.171 -1.050 17873
539 1 24 . 1 1 4 4 THR H H 4 8.130 8.130 7.751 0.379 17873
540 1 24 . 1 1 5 5 THR N N 5 116.100 116.100 113.742 2.358 17873
541 1 24 . 1 1 5 5 THR HA H 5 4.700 4.700 4.671 0.029 17873
542 1 24 . 1 1 5 5 THR CA C 5 58.610 58.610 59.690 -1.080 17873
543 1 24 . 1 1 5 5 THR CB C 5 77.640 77.640 70.042 7.598 17873
544 1 24 . 1 1 5 5 THR H H 5 8.510 8.510 8.056 0.454 17873
545 1 24 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.400 0.050 17873
546 1 24 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.787 -1.137 17873
547 1 24 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.831 1.518 17873
548 1 24 . 1 1 7 7 LEU N N 7 121.500 121.500 123.025 -1.525 17873
549 1 24 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.693 -0.553 17873
550 1 24 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.975 0.505 17873
551 1 24 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.788 -1.147 17873
552 1 24 . 1 1 7 7 LEU H H 7 8.210 8.210 8.379 -0.169 17873
553 1 25 . 1 1 3 3 THR N N 3 113.400 113.400 113.554 -0.154 17873
554 1 25 . 1 1 3 3 THR HA H 3 4.420 4.420 4.548 -0.128 17873
555 1 25 . 1 1 3 3 THR CA C 3 61.800 61.800 62.103 -0.303 17873
556 1 25 . 1 1 3 3 THR CB C 3 69.860 69.860 69.609 0.251 17873
557 1 25 . 1 1 3 3 THR H H 3 8.280 8.280 8.110 0.170 17873
558 1 25 . 1 1 4 4 THR N N 4 116.700 116.700 114.707 1.993 17873
559 1 25 . 1 1 4 4 THR HA H 4 4.500 4.500 4.691 -0.191 17873
560 1 25 . 1 1 4 4 THR CA C 4 61.590 61.590 61.663 -0.073 17873
561 1 25 . 1 1 4 4 THR CB C 4 70.120 70.120 71.154 -1.034 17873
562 1 25 . 1 1 4 4 THR H H 4 8.130 8.130 8.255 -0.125 17873
563 1 25 . 1 1 5 5 THR N N 5 116.100 116.100 114.016 2.084 17873
564 1 25 . 1 1 5 5 THR HA H 5 4.700 4.700 4.658 0.042 17873
565 1 25 . 1 1 5 5 THR CA C 5 58.610 58.610 59.936 -1.326 17873
566 1 25 . 1 1 5 5 THR CB C 5 77.640 77.640 68.983 8.657 17873
567 1 25 . 1 1 5 5 THR H H 5 8.510 8.510 7.929 0.581 17873
568 1 25 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.408 0.042 17873
569 1 25 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.753 -1.103 17873
570 1 25 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.941 1.409 17873
571 1 25 . 1 1 7 7 LEU N N 7 121.500 121.500 123.753 -2.253 17873
572 1 25 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.567 -0.427 17873
573 1 25 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.486 0.994 17873
574 1 25 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.780 -1.140 17873
575 1 25 . 1 1 7 7 LEU H H 7 8.210 8.210 8.118 0.092 17873
576 1 26 . 1 1 3 3 THR N N 3 113.400 113.400 114.277 -0.877 17873
577 1 26 . 1 1 3 3 THR HA H 3 4.420 4.420 4.903 -0.483 17873
578 1 26 . 1 1 3 3 THR CA C 3 61.800 61.800 61.754 0.046 17873
579 1 26 . 1 1 3 3 THR CB C 3 69.860 69.860 70.585 -0.725 17873
580 1 26 . 1 1 3 3 THR H H 3 8.280 8.280 8.306 -0.026 17873
581 1 26 . 1 1 4 4 THR N N 4 116.700 116.700 115.635 1.065 17873
582 1 26 . 1 1 4 4 THR HA H 4 4.500 4.500 4.826 -0.326 17873
583 1 26 . 1 1 4 4 THR CA C 4 61.590 61.590 61.601 -0.011 17873
584 1 26 . 1 1 4 4 THR CB C 4 70.120 70.120 71.893 -1.773 17873
585 1 26 . 1 1 4 4 THR H H 4 8.130 8.130 8.443 -0.313 17873
586 1 26 . 1 1 5 5 THR N N 5 116.100 116.100 113.226 2.874 17873
587 1 26 . 1 1 5 5 THR HA H 5 4.700 4.700 4.723 -0.023 17873
588 1 26 . 1 1 5 5 THR CA C 5 58.610 58.610 58.936 -0.326 17873
589 1 26 . 1 1 5 5 THR CB C 5 77.640 77.640 70.568 7.072 17873
590 1 26 . 1 1 5 5 THR H H 5 8.510 8.510 7.992 0.518 17873
591 1 26 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.285 0.165 17873
592 1 26 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.187 -1.537 17873
593 1 26 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.979 1.371 17873
594 1 26 . 1 1 7 7 LEU N N 7 121.500 121.500 121.174 0.326 17873
595 1 26 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.405 -0.265 17873
596 1 26 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.290 0.190 17873
597 1 26 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.192 -0.552 17873
598 1 26 . 1 1 7 7 LEU H H 7 8.210 8.210 8.517 -0.307 17873
599 1 27 . 1 1 3 3 THR N N 3 113.400 113.400 114.830 -1.430 17873
600 1 27 . 1 1 3 3 THR HA H 3 4.420 4.420 4.600 -0.180 17873
601 1 27 . 1 1 3 3 THR CA C 3 61.800 61.800 62.405 -0.605 17873
602 1 27 . 1 1 3 3 THR CB C 3 69.860 69.860 69.332 0.529 17873
603 1 27 . 1 1 3 3 THR H H 3 8.280 8.280 8.273 0.007 17873
604 1 27 . 1 1 4 4 THR N N 4 116.700 116.700 117.070 -0.370 17873
605 1 27 . 1 1 4 4 THR HA H 4 4.500 4.500 4.744 -0.244 17873
606 1 27 . 1 1 4 4 THR CA C 4 61.590 61.590 61.214 0.376 17873
607 1 27 . 1 1 4 4 THR CB C 4 70.120 70.120 70.918 -0.798 17873
608 1 27 . 1 1 4 4 THR H H 4 8.130 8.130 8.211 -0.081 17873
609 1 27 . 1 1 5 5 THR N N 5 116.100 116.100 113.936 2.164 17873
610 1 27 . 1 1 5 5 THR HA H 5 4.700 4.700 4.591 0.109 17873
611 1 27 . 1 1 5 5 THR CA C 5 58.610 58.610 59.993 -1.383 17873
612 1 27 . 1 1 5 5 THR CB C 5 77.640 77.640 69.871 7.769 17873
613 1 27 . 1 1 5 5 THR H H 5 8.510 8.510 8.017 0.493 17873
614 1 27 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.410 0.040 17873
615 1 27 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.711 -1.061 17873
616 1 27 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.976 1.374 17873
617 1 27 . 1 1 7 7 LEU N N 7 121.500 121.500 123.473 -1.973 17873
618 1 27 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.625 -0.485 17873
619 1 27 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.406 1.074 17873
620 1 27 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.688 -1.048 17873
621 1 27 . 1 1 7 7 LEU H H 7 8.210 8.210 8.177 0.033 17873
622 1 28 . 1 1 3 3 THR N N 3 113.400 113.400 114.923 -1.523 17873
623 1 28 . 1 1 3 3 THR HA H 3 4.420 4.420 4.638 -0.218 17873
624 1 28 . 1 1 3 3 THR CA C 3 61.800 61.800 62.535 -0.735 17873
625 1 28 . 1 1 3 3 THR CB C 3 69.860 69.860 68.582 1.278 17873
626 1 28 . 1 1 3 3 THR H H 3 8.280 8.280 8.276 0.004 17873
627 1 28 . 1 1 4 4 THR N N 4 116.700 116.700 113.974 2.726 17873
628 1 28 . 1 1 4 4 THR HA H 4 4.500 4.500 4.531 -0.031 17873
629 1 28 . 1 1 4 4 THR CA C 4 61.590 61.590 61.184 0.406 17873
630 1 28 . 1 1 4 4 THR CB C 4 70.120 70.120 71.263 -1.143 17873
631 1 28 . 1 1 4 4 THR H H 4 8.130 8.130 7.529 0.601 17873
632 1 28 . 1 1 5 5 THR N N 5 116.100 116.100 112.435 3.665 17873
633 1 28 . 1 1 5 5 THR HA H 5 4.700 4.700 4.644 0.056 17873
634 1 28 . 1 1 5 5 THR CA C 5 58.610 58.610 59.395 -0.785 17873
635 1 28 . 1 1 5 5 THR CB C 5 77.640 77.640 69.877 7.763 17873
636 1 28 . 1 1 5 5 THR H H 5 8.510 8.510 7.834 0.676 17873
637 1 28 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.316 0.134 17873
638 1 28 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.053 -1.403 17873
639 1 28 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.196 1.154 17873
640 1 28 . 1 1 7 7 LEU N N 7 121.500 121.500 121.865 -0.365 17873
641 1 28 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.466 -0.326 17873
642 1 28 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.287 0.193 17873
643 1 28 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.425 -0.785 17873
644 1 28 . 1 1 7 7 LEU H H 7 8.210 8.210 8.539 -0.329 17873
645 1 29 . 1 1 3 3 THR N N 3 113.400 113.400 114.885 -1.485 17873
646 1 29 . 1 1 3 3 THR HA H 3 4.420 4.420 4.452 -0.032 17873
647 1 29 . 1 1 3 3 THR CA C 3 61.800 61.800 63.678 -1.878 17873
648 1 29 . 1 1 3 3 THR CB C 3 69.860 69.860 69.373 0.487 17873
649 1 29 . 1 1 3 3 THR H H 3 8.280 8.280 8.238 0.042 17873
650 1 29 . 1 1 4 4 THR N N 4 116.700 116.700 114.484 2.216 17873
651 1 29 . 1 1 4 4 THR HA H 4 4.500 4.500 4.712 -0.212 17873
652 1 29 . 1 1 4 4 THR CA C 4 61.590 61.590 61.251 0.339 17873
653 1 29 . 1 1 4 4 THR CB C 4 70.120 70.120 71.164 -1.044 17873
654 1 29 . 1 1 4 4 THR H H 4 8.130 8.130 7.955 0.175 17873
655 1 29 . 1 1 5 5 THR N N 5 116.100 116.100 113.577 2.523 17873
656 1 29 . 1 1 5 5 THR HA H 5 4.700 4.700 4.618 0.082 17873
657 1 29 . 1 1 5 5 THR CA C 5 58.610 58.610 60.069 -1.459 17873
658 1 29 . 1 1 5 5 THR CB C 5 77.640 77.640 69.317 8.323 17873
659 1 29 . 1 1 5 5 THR H H 5 8.510 8.510 7.949 0.560 17873
660 1 29 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.440 0.010 17873
661 1 29 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.208 -0.558 17873
662 1 29 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.852 0.498 17873
663 1 29 . 1 1 7 7 LEU N N 7 121.500 121.500 120.494 1.006 17873
664 1 29 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.567 -0.427 17873
665 1 29 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.430 1.050 17873
666 1 29 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.414 0.226 17873
667 1 29 . 1 1 7 7 LEU H H 7 8.210 8.210 7.931 0.279 17873
668 1 30 . 1 1 3 3 THR N N 3 113.400 113.400 111.293 2.107 17873
669 1 30 . 1 1 3 3 THR HA H 3 4.420 4.420 4.474 -0.054 17873
670 1 30 . 1 1 3 3 THR CA C 3 61.800 61.800 62.005 -0.206 17873
671 1 30 . 1 1 3 3 THR CB C 3 69.860 69.860 69.400 0.460 17873
672 1 30 . 1 1 3 3 THR H H 3 8.280 8.280 8.457 -0.177 17873
673 1 30 . 1 1 4 4 THR N N 4 116.700 116.700 116.652 0.048 17873
674 1 30 . 1 1 4 4 THR HA H 4 4.500 4.500 4.595 -0.095 17873
675 1 30 . 1 1 4 4 THR CA C 4 61.590 61.590 61.670 -0.080 17873
676 1 30 . 1 1 4 4 THR CB C 4 70.120 70.120 70.354 -0.234 17873
677 1 30 . 1 1 4 4 THR H H 4 8.130 8.130 7.678 0.452 17873
678 1 30 . 1 1 5 5 THR N N 5 116.100 116.100 113.930 2.170 17873
679 1 30 . 1 1 5 5 THR HA H 5 4.700 4.700 4.689 0.011 17873
680 1 30 . 1 1 5 5 THR CA C 5 58.610 58.610 59.819 -1.209 17873
681 1 30 . 1 1 5 5 THR CB C 5 77.640 77.640 69.593 8.047 17873
682 1 30 . 1 1 5 5 THR H H 5 8.510 8.510 8.044 0.466 17873
683 1 30 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.347 0.103 17873
684 1 30 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.028 -0.377 17873
685 1 30 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.011 0.339 17873
686 1 30 . 1 1 7 7 LEU N N 7 121.500 121.500 123.432 -1.932 17873
687 1 30 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.331 -0.191 17873
688 1 30 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.812 0.668 17873
689 1 30 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.215 0.425 17873
690 1 30 . 1 1 7 7 LEU H H 7 8.210 8.210 8.134 0.076 17873
691 1 31 . 1 1 3 3 THR N N 3 113.400 113.400 117.308 -3.908 17873
692 1 31 . 1 1 3 3 THR HA H 3 4.420 4.420 4.559 -0.139 17873
693 1 31 . 1 1 3 3 THR CA C 3 61.800 61.800 61.531 0.269 17873
694 1 31 . 1 1 3 3 THR CB C 3 69.860 69.860 67.811 2.049 17873
695 1 31 . 1 1 3 3 THR H H 3 8.280 8.280 8.398 -0.118 17873
696 1 31 . 1 1 4 4 THR N N 4 116.700 116.700 118.202 -1.502 17873
697 1 31 . 1 1 4 4 THR HA H 4 4.500 4.500 4.676 -0.176 17873
698 1 31 . 1 1 4 4 THR CA C 4 61.590 61.590 60.980 0.610 17873
699 1 31 . 1 1 4 4 THR CB C 4 70.120 70.120 70.523 -0.403 17873
700 1 31 . 1 1 4 4 THR H H 4 8.130 8.130 7.742 0.388 17873
701 1 31 . 1 1 5 5 THR N N 5 116.100 116.100 113.011 3.089 17873
702 1 31 . 1 1 5 5 THR HA H 5 4.700 4.700 4.604 0.096 17873
703 1 31 . 1 1 5 5 THR CA C 5 58.610 58.610 59.374 -0.764 17873
704 1 31 . 1 1 5 5 THR CB C 5 77.640 77.640 68.945 8.695 17873
705 1 31 . 1 1 5 5 THR H H 5 8.510 8.510 8.042 0.468 17873
706 1 31 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.287 0.163 17873
707 1 31 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.247 -1.597 17873
708 1 31 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.417 0.933 17873
709 1 31 . 1 1 7 7 LEU N N 7 121.500 121.500 122.894 -1.394 17873
710 1 31 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.400 -0.260 17873
711 1 31 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.502 -0.022 17873
712 1 31 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.944 -0.304 17873
713 1 31 . 1 1 7 7 LEU H H 7 8.210 8.210 8.352 -0.142 17873
714 1 32 . 1 1 3 3 THR N N 3 113.400 113.400 115.529 -2.129 17873
715 1 32 . 1 1 3 3 THR HA H 3 4.420 4.420 4.434 -0.014 17873
716 1 32 . 1 1 3 3 THR CA C 3 61.800 61.800 63.309 -1.508 17873
717 1 32 . 1 1 3 3 THR CB C 3 69.860 69.860 69.189 0.671 17873
718 1 32 . 1 1 3 3 THR H H 3 8.280 8.280 8.507 -0.227 17873
719 1 32 . 1 1 4 4 THR N N 4 116.700 116.700 114.354 2.346 17873
720 1 32 . 1 1 4 4 THR HA H 4 4.500 4.500 4.535 -0.035 17873
721 1 32 . 1 1 4 4 THR CA C 4 61.590 61.590 61.000 0.590 17873
722 1 32 . 1 1 4 4 THR CB C 4 70.120 70.120 71.207 -1.086 17873
723 1 32 . 1 1 4 4 THR H H 4 8.130 8.130 7.449 0.681 17873
724 1 32 . 1 1 5 5 THR N N 5 116.100 116.100 111.566 4.534 17873
725 1 32 . 1 1 5 5 THR HA H 5 4.700 4.700 4.625 0.075 17873
726 1 32 . 1 1 5 5 THR CA C 5 58.610 58.610 59.506 -0.896 17873
727 1 32 . 1 1 5 5 THR CB C 5 77.640 77.640 69.968 7.672 17873
728 1 32 . 1 1 5 5 THR H H 5 8.510 8.510 7.897 0.613 17873
729 1 32 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.319 0.131 17873
730 1 32 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.158 -1.508 17873
731 1 32 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.925 1.425 17873
732 1 32 . 1 1 7 7 LEU N N 7 121.500 121.500 120.544 0.956 17873
733 1 32 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.385 -0.245 17873
734 1 32 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.385 0.095 17873
735 1 32 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.255 -0.615 17873
736 1 32 . 1 1 7 7 LEU H H 7 8.210 8.210 8.465 -0.255 17873
737 1 33 . 1 1 3 3 THR N N 3 113.400 113.400 112.583 0.817 17873
738 1 33 . 1 1 3 3 THR HA H 3 4.420 4.420 4.427 -0.007 17873
739 1 33 . 1 1 3 3 THR CA C 3 61.800 61.800 62.897 -1.097 17873
740 1 33 . 1 1 3 3 THR CB C 3 69.860 69.860 69.064 0.796 17873
741 1 33 . 1 1 3 3 THR H H 3 8.280 8.280 8.403 -0.123 17873
742 1 33 . 1 1 4 4 THR N N 4 116.700 116.700 115.295 1.405 17873
743 1 33 . 1 1 4 4 THR HA H 4 4.500 4.500 4.721 -0.221 17873
744 1 33 . 1 1 4 4 THR CA C 4 61.590 61.590 61.374 0.216 17873
745 1 33 . 1 1 4 4 THR CB C 4 70.120 70.120 71.314 -1.194 17873
746 1 33 . 1 1 4 4 THR H H 4 8.130 8.130 7.819 0.311 17873
747 1 33 . 1 1 5 5 THR N N 5 116.100 116.100 112.563 3.537 17873
748 1 33 . 1 1 5 5 THR HA H 5 4.700 4.700 4.619 0.081 17873
749 1 33 . 1 1 5 5 THR CA C 5 58.610 58.610 59.886 -1.276 17873
750 1 33 . 1 1 5 5 THR CB C 5 77.640 77.640 69.198 8.442 17873
751 1 33 . 1 1 5 5 THR H H 5 8.510 8.510 7.971 0.539 17873
752 1 33 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.415 0.035 17873
753 1 33 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.261 -0.611 17873
754 1 33 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.020 0.330 17873
755 1 33 . 1 1 7 7 LEU N N 7 121.500 121.500 123.802 -2.302 17873
756 1 33 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.458 -0.318 17873
757 1 33 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.906 0.574 17873
758 1 33 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.879 -0.239 17873
759 1 33 . 1 1 7 7 LEU H H 7 8.210 8.210 8.212 -0.002 17873
760 1 34 . 1 1 3 3 THR N N 3 113.400 113.400 114.138 -0.738 17873
761 1 34 . 1 1 3 3 THR HA H 3 4.420 4.420 4.507 -0.087 17873
762 1 34 . 1 1 3 3 THR CA C 3 61.800 61.800 62.068 -0.268 17873
763 1 34 . 1 1 3 3 THR CB C 3 69.860 69.860 69.771 0.089 17873
764 1 34 . 1 1 3 3 THR H H 3 8.280 8.280 7.927 0.353 17873
765 1 34 . 1 1 4 4 THR N N 4 116.700 116.700 113.116 3.584 17873
766 1 34 . 1 1 4 4 THR HA H 4 4.500 4.500 4.700 -0.200 17873
767 1 34 . 1 1 4 4 THR CA C 4 61.590 61.590 61.374 0.216 17873
768 1 34 . 1 1 4 4 THR CB C 4 70.120 70.120 70.832 -0.712 17873
769 1 34 . 1 1 4 4 THR H H 4 8.130 8.130 7.598 0.532 17873
770 1 34 . 1 1 5 5 THR N N 5 116.100 116.100 113.689 2.411 17873
771 1 34 . 1 1 5 5 THR HA H 5 4.700 4.700 4.652 0.048 17873
772 1 34 . 1 1 5 5 THR CA C 5 58.610 58.610 58.816 -0.206 17873
773 1 34 . 1 1 5 5 THR CB C 5 77.640 77.640 70.504 7.136 17873
774 1 34 . 1 1 5 5 THR H H 5 8.510 8.510 8.005 0.505 17873
775 1 34 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.293 0.157 17873
776 1 34 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.241 -1.591 17873
777 1 34 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.823 1.527 17873
778 1 34 . 1 1 7 7 LEU N N 7 121.500 121.500 120.014 1.486 17873
779 1 34 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.372 -0.232 17873
780 1 34 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.821 0.659 17873
781 1 34 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.964 -0.324 17873
782 1 34 . 1 1 7 7 LEU H H 7 8.210 8.210 8.573 -0.363 17873
783 1 35 . 1 1 3 3 THR N N 3 113.400 113.400 114.639 -1.239 17873
784 1 35 . 1 1 3 3 THR HA H 3 4.420 4.420 4.458 -0.038 17873
785 1 35 . 1 1 3 3 THR CA C 3 61.800 61.800 63.077 -1.277 17873
786 1 35 . 1 1 3 3 THR CB C 3 69.860 69.860 69.020 0.840 17873
787 1 35 . 1 1 3 3 THR H H 3 8.280 8.280 8.350 -0.070 17873
788 1 35 . 1 1 4 4 THR N N 4 116.700 116.700 115.182 1.518 17873
789 1 35 . 1 1 4 4 THR HA H 4 4.500 4.500 4.553 -0.053 17873
790 1 35 . 1 1 4 4 THR CA C 4 61.590 61.590 61.313 0.277 17873
791 1 35 . 1 1 4 4 THR CB C 4 70.120 70.120 70.413 -0.293 17873
792 1 35 . 1 1 4 4 THR H H 4 8.130 8.130 7.524 0.606 17873
793 1 35 . 1 1 5 5 THR N N 5 116.100 116.100 111.999 4.101 17873
794 1 35 . 1 1 5 5 THR HA H 5 4.700 4.700 4.673 0.027 17873
795 1 35 . 1 1 5 5 THR CA C 5 58.610 58.610 59.424 -0.814 17873
796 1 35 . 1 1 5 5 THR CB C 5 77.640 77.640 69.994 7.646 17873
797 1 35 . 1 1 5 5 THR H H 5 8.510 8.510 7.830 0.680 17873
798 1 35 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.345 0.105 17873
799 1 35 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.107 -0.457 17873
800 1 35 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.090 0.260 17873
801 1 35 . 1 1 7 7 LEU N N 7 121.500 121.500 123.589 -2.089 17873
802 1 35 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.364 -0.224 17873
803 1 35 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.901 0.579 17873
804 1 35 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.155 0.485 17873
805 1 35 . 1 1 7 7 LEU H H 7 8.210 8.210 8.147 0.063 17873
806 1 36 . 1 1 3 3 THR N N 3 113.400 113.400 114.235 -0.835 17873
807 1 36 . 1 1 3 3 THR HA H 3 4.420 4.420 4.437 -0.017 17873
808 1 36 . 1 1 3 3 THR CA C 3 61.800 61.800 62.732 -0.932 17873
809 1 36 . 1 1 3 3 THR CB C 3 69.860 69.860 69.228 0.632 17873
810 1 36 . 1 1 3 3 THR H H 3 8.280 8.280 8.486 -0.206 17873
811 1 36 . 1 1 4 4 THR N N 4 116.700 116.700 115.162 1.538 17873
812 1 36 . 1 1 4 4 THR HA H 4 4.500 4.500 4.492 0.008 17873
813 1 36 . 1 1 4 4 THR CA C 4 61.590 61.590 61.062 0.528 17873
814 1 36 . 1 1 4 4 THR CB C 4 70.120 70.120 70.614 -0.494 17873
815 1 36 . 1 1 4 4 THR H H 4 8.130 8.130 7.652 0.478 17873
816 1 36 . 1 1 5 5 THR N N 5 116.100 116.100 113.673 2.427 17873
817 1 36 . 1 1 5 5 THR HA H 5 4.700 4.700 4.702 -0.002 17873
818 1 36 . 1 1 5 5 THR CA C 5 58.610 58.610 59.895 -1.285 17873
819 1 36 . 1 1 5 5 THR CB C 5 77.640 77.640 69.498 8.142 17873
820 1 36 . 1 1 5 5 THR H H 5 8.510 8.510 8.099 0.411 17873
821 1 36 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.465 -0.015 17873
822 1 36 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.353 -0.703 17873
823 1 36 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.700 0.650 17873
824 1 36 . 1 1 7 7 LEU N N 7 121.500 121.500 122.125 -0.625 17873
825 1 36 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.491 -0.351 17873
826 1 36 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.879 0.601 17873
827 1 36 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.598 0.042 17873
828 1 36 . 1 1 7 7 LEU H H 7 8.210 8.210 7.876 0.334 17873
829 1 37 . 1 1 3 3 THR N N 3 113.400 113.400 117.254 -3.854 17873
830 1 37 . 1 1 3 3 THR HA H 3 4.420 4.420 4.511 -0.091 17873
831 1 37 . 1 1 3 3 THR CA C 3 61.800 61.800 63.258 -1.458 17873
832 1 37 . 1 1 3 3 THR CB C 3 69.860 69.860 68.663 1.197 17873
833 1 37 . 1 1 3 3 THR H H 3 8.280 8.280 8.466 -0.186 17873
834 1 37 . 1 1 4 4 THR N N 4 116.700 116.700 115.388 1.312 17873
835 1 37 . 1 1 4 4 THR HA H 4 4.500 4.500 4.527 -0.027 17873
836 1 37 . 1 1 4 4 THR CA C 4 61.590 61.590 60.928 0.662 17873
837 1 37 . 1 1 4 4 THR CB C 4 70.120 70.120 71.076 -0.955 17873
838 1 37 . 1 1 4 4 THR H H 4 8.130 8.130 7.430 0.700 17873
839 1 37 . 1 1 5 5 THR N N 5 116.100 116.100 112.201 3.899 17873
840 1 37 . 1 1 5 5 THR HA H 5 4.700 4.700 4.647 0.053 17873
841 1 37 . 1 1 5 5 THR CA C 5 58.610 58.610 59.415 -0.805 17873
842 1 37 . 1 1 5 5 THR CB C 5 77.640 77.640 69.811 7.829 17873
843 1 37 . 1 1 5 5 THR H H 5 8.510 8.510 7.891 0.619 17873
844 1 37 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.346 0.104 17873
845 1 37 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.915 -1.265 17873
846 1 37 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.867 1.483 17873
847 1 37 . 1 1 7 7 LEU N N 7 121.500 121.500 122.681 -1.181 17873
848 1 37 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.644 -0.504 17873
849 1 37 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.983 0.497 17873
850 1 37 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.700 -1.060 17873
851 1 37 . 1 1 7 7 LEU H H 7 8.210 8.210 8.363 -0.153 17873
852 1 38 . 1 1 3 3 THR N N 3 113.400 113.400 116.851 -3.451 17873
853 1 38 . 1 1 3 3 THR HA H 3 4.420 4.420 4.465 -0.045 17873
854 1 38 . 1 1 3 3 THR CA C 3 61.800 61.800 61.977 -0.177 17873
855 1 38 . 1 1 3 3 THR CB C 3 69.860 69.860 69.197 0.663 17873
856 1 38 . 1 1 3 3 THR H H 3 8.280 8.280 8.233 0.047 17873
857 1 38 . 1 1 4 4 THR N N 4 116.700 116.700 116.667 0.033 17873
858 1 38 . 1 1 4 4 THR HA H 4 4.500 4.500 4.617 -0.117 17873
859 1 38 . 1 1 4 4 THR CA C 4 61.590 61.590 61.610 -0.020 17873
860 1 38 . 1 1 4 4 THR CB C 4 70.120 70.120 69.600 0.520 17873
861 1 38 . 1 1 4 4 THR H H 4 8.130 8.130 7.789 0.341 17873
862 1 38 . 1 1 5 5 THR N N 5 116.100 116.100 116.209 -0.109 17873
863 1 38 . 1 1 5 5 THR HA H 5 4.700 4.700 4.633 0.067 17873
864 1 38 . 1 1 5 5 THR CA C 5 58.610 58.610 59.250 -0.640 17873
865 1 38 . 1 1 5 5 THR CB C 5 77.640 77.640 68.894 8.745 17873
866 1 38 . 1 1 5 5 THR H H 5 8.510 8.510 8.213 0.297 17873
867 1 38 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.354 0.096 17873
868 1 38 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.825 -1.175 17873
869 1 38 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.665 1.685 17873
870 1 38 . 1 1 7 7 LEU N N 7 121.500 121.500 121.375 0.125 17873
871 1 38 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.662 -0.522 17873
872 1 38 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.428 0.052 17873
873 1 38 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.832 -1.192 17873
874 1 38 . 1 1 7 7 LEU H H 7 8.210 8.210 8.458 -0.248 17873
875 1 39 . 1 1 3 3 THR N N 3 113.400 113.400 116.838 -3.438 17873
876 1 39 . 1 1 3 3 THR HA H 3 4.420 4.420 4.599 -0.179 17873
877 1 39 . 1 1 3 3 THR CA C 3 61.800 61.800 63.222 -1.422 17873
878 1 39 . 1 1 3 3 THR CB C 3 69.860 69.860 68.778 1.082 17873
879 1 39 . 1 1 3 3 THR H H 3 8.280 8.280 7.956 0.324 17873
880 1 39 . 1 1 4 4 THR N N 4 116.700 116.700 118.354 -1.654 17873
881 1 39 . 1 1 4 4 THR HA H 4 4.500 4.500 4.940 -0.440 17873
882 1 39 . 1 1 4 4 THR CA C 4 61.590 61.590 61.876 -0.286 17873
883 1 39 . 1 1 4 4 THR CB C 4 70.120 70.120 71.126 -1.006 17873
884 1 39 . 1 1 4 4 THR H H 4 8.130 8.130 7.971 0.159 17873
885 1 39 . 1 1 5 5 THR N N 5 116.100 116.100 114.817 1.283 17873
886 1 39 . 1 1 5 5 THR HA H 5 4.700 4.700 4.679 0.021 17873
887 1 39 . 1 1 5 5 THR CA C 5 58.610 58.610 60.019 -1.409 17873
888 1 39 . 1 1 5 5 THR CB C 5 77.640 77.640 69.237 8.403 17873
889 1 39 . 1 1 5 5 THR H H 5 8.510 8.510 8.295 0.215 17873
890 1 39 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.293 0.157 17873
891 1 39 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.060 -1.410 17873
892 1 39 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.219 1.131 17873
893 1 39 . 1 1 7 7 LEU N N 7 121.500 121.500 121.684 -0.184 17873
894 1 39 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.484 -0.344 17873
895 1 39 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.673 -0.193 17873
896 1 39 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.730 -1.091 17873
897 1 39 . 1 1 7 7 LEU H H 7 8.210 8.210 8.575 -0.365 17873
898 1 40 . 1 1 3 3 THR N N 3 113.400 113.400 115.774 -2.374 17873
899 1 40 . 1 1 3 3 THR HA H 3 4.420 4.420 4.624 -0.204 17873
900 1 40 . 1 1 3 3 THR CA C 3 61.800 61.800 62.387 -0.587 17873
901 1 40 . 1 1 3 3 THR CB C 3 69.860 69.860 69.406 0.454 17873
902 1 40 . 1 1 3 3 THR H H 3 8.280 8.280 8.570 -0.291 17873
903 1 40 . 1 1 4 4 THR N N 4 116.700 116.700 115.555 1.145 17873
904 1 40 . 1 1 4 4 THR HA H 4 4.500 4.500 4.833 -0.333 17873
905 1 40 . 1 1 4 4 THR CA C 4 61.590 61.590 61.150 0.440 17873
906 1 40 . 1 1 4 4 THR CB C 4 70.120 70.120 71.439 -1.319 17873
907 1 40 . 1 1 4 4 THR H H 4 8.130 8.130 8.070 0.060 17873
908 1 40 . 1 1 5 5 THR N N 5 116.100 116.100 113.656 2.444 17873
909 1 40 . 1 1 5 5 THR HA H 5 4.700 4.700 4.627 0.073 17873
910 1 40 . 1 1 5 5 THR CA C 5 58.610 58.610 59.534 -0.924 17873
911 1 40 . 1 1 5 5 THR CB C 5 77.640 77.640 70.263 7.377 17873
912 1 40 . 1 1 5 5 THR H H 5 8.510 8.510 7.956 0.554 17873
913 1 40 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.456 -0.006 17873
914 1 40 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.151 -0.501 17873
915 1 40 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.643 0.707 17873
916 1 40 . 1 1 7 7 LEU N N 7 121.500 121.500 122.913 -1.413 17873
917 1 40 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.499 -0.359 17873
918 1 40 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.683 0.797 17873
919 1 40 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.272 0.368 17873
920 1 40 . 1 1 7 7 LEU H H 7 8.210 8.210 8.169 0.041 17873
921 1 41 . 1 1 3 3 THR N N 3 113.400 113.400 113.186 0.214 17873
922 1 41 . 1 1 3 3 THR HA H 3 4.420 4.420 4.737 -0.317 17873
923 1 41 . 1 1 3 3 THR CA C 3 61.800 61.800 61.740 0.060 17873
924 1 41 . 1 1 3 3 THR CB C 3 69.860 69.860 69.679 0.181 17873
925 1 41 . 1 1 3 3 THR H H 3 8.280 8.280 8.184 0.096 17873
926 1 41 . 1 1 4 4 THR N N 4 116.700 116.700 115.946 0.754 17873
927 1 41 . 1 1 4 4 THR HA H 4 4.500 4.500 4.764 -0.264 17873
928 1 41 . 1 1 4 4 THR CA C 4 61.590 61.590 60.998 0.592 17873
929 1 41 . 1 1 4 4 THR CB C 4 70.120 70.120 70.805 -0.685 17873
930 1 41 . 1 1 4 4 THR H H 4 8.130 8.130 8.110 0.020 17873
931 1 41 . 1 1 5 5 THR N N 5 116.100 116.100 113.637 2.463 17873
932 1 41 . 1 1 5 5 THR HA H 5 4.700 4.700 4.633 0.067 17873
933 1 41 . 1 1 5 5 THR CA C 5 58.610 58.610 59.656 -1.046 17873
934 1 41 . 1 1 5 5 THR CB C 5 77.640 77.640 69.316 8.325 17873
935 1 41 . 1 1 5 5 THR H H 5 8.510 8.510 7.984 0.526 17873
936 1 41 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.411 0.039 17873
937 1 41 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.976 -0.326 17873
938 1 41 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.129 0.221 17873
939 1 41 . 1 1 7 7 LEU N N 7 121.500 121.500 123.036 -1.536 17873
940 1 41 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.305 -0.165 17873
941 1 41 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.581 -0.101 17873
942 1 41 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.913 0.727 17873
943 1 41 . 1 1 7 7 LEU H H 7 8.210 8.210 8.265 -0.055 17873
944 1 42 . 1 1 3 3 THR N N 3 113.400 113.400 114.647 -1.247 17873
945 1 42 . 1 1 3 3 THR HA H 3 4.420 4.420 4.721 -0.301 17873
946 1 42 . 1 1 3 3 THR CA C 3 61.800 61.800 62.143 -0.343 17873
947 1 42 . 1 1 3 3 THR CB C 3 69.860 69.860 69.641 0.219 17873
948 1 42 . 1 1 3 3 THR H H 3 8.280 8.280 8.309 -0.029 17873
949 1 42 . 1 1 4 4 THR N N 4 116.700 116.700 115.007 1.693 17873
950 1 42 . 1 1 4 4 THR HA H 4 4.500 4.500 5.006 -0.506 17873
951 1 42 . 1 1 4 4 THR CA C 4 61.590 61.590 60.772 0.818 17873
952 1 42 . 1 1 4 4 THR CB C 4 70.120 70.120 70.897 -0.777 17873
953 1 42 . 1 1 4 4 THR H H 4 8.130 8.130 8.215 -0.085 17873
954 1 42 . 1 1 5 5 THR N N 5 116.100 116.100 113.115 2.985 17873
955 1 42 . 1 1 5 5 THR HA H 5 4.700 4.700 4.562 0.138 17873
956 1 42 . 1 1 5 5 THR CA C 5 58.610 58.610 59.793 -1.183 17873
957 1 42 . 1 1 5 5 THR CB C 5 77.640 77.640 69.630 8.010 17873
958 1 42 . 1 1 5 5 THR H H 5 8.510 8.510 7.965 0.545 17873
959 1 42 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.450 0.000 17873
960 1 42 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.080 -0.430 17873
961 1 42 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.859 0.491 17873
962 1 42 . 1 1 7 7 LEU N N 7 121.500 121.500 121.605 -0.105 17873
963 1 42 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.474 -0.334 17873
964 1 42 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.017 0.463 17873
965 1 42 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.547 0.093 17873
966 1 42 . 1 1 7 7 LEU H H 7 8.210 8.210 7.972 0.238 17873
967 1 43 . 1 1 3 3 THR N N 3 113.400 113.400 110.460 2.940 17873
968 1 43 . 1 1 3 3 THR HA H 3 4.420 4.420 4.567 -0.147 17873
969 1 43 . 1 1 3 3 THR CA C 3 61.800 61.800 63.075 -1.275 17873
970 1 43 . 1 1 3 3 THR CB C 3 69.860 69.860 70.719 -0.859 17873
971 1 43 . 1 1 3 3 THR H H 3 8.280 8.280 8.245 0.035 17873
972 1 43 . 1 1 4 4 THR N N 4 116.700 116.700 116.553 0.147 17873
973 1 43 . 1 1 4 4 THR HA H 4 4.500 4.500 4.783 -0.283 17873
974 1 43 . 1 1 4 4 THR CA C 4 61.590 61.590 62.057 -0.467 17873
975 1 43 . 1 1 4 4 THR CB C 4 70.120 70.120 70.404 -0.284 17873
976 1 43 . 1 1 4 4 THR H H 4 8.130 8.130 8.195 -0.065 17873
977 1 43 . 1 1 5 5 THR N N 5 116.100 116.100 114.243 1.857 17873
978 1 43 . 1 1 5 5 THR HA H 5 4.700 4.700 4.842 -0.142 17873
979 1 43 . 1 1 5 5 THR CA C 5 58.610 58.610 60.215 -1.605 17873
980 1 43 . 1 1 5 5 THR CB C 5 77.640 77.640 70.016 7.623 17873
981 1 43 . 1 1 5 5 THR H H 5 8.510 8.510 8.142 0.368 17873
982 1 43 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.451 -0.001 17873
983 1 43 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.078 -0.428 17873
984 1 43 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.606 0.744 17873
985 1 43 . 1 1 7 7 LEU N N 7 121.500 121.500 121.939 -0.439 17873
986 1 43 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.477 -0.337 17873
987 1 43 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.004 0.476 17873
988 1 43 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.372 0.268 17873
989 1 43 . 1 1 7 7 LEU H H 7 8.210 8.210 7.917 0.293 17873
990 1 44 . 1 1 3 3 THR N N 3 113.400 113.400 116.125 -2.725 17873
991 1 44 . 1 1 3 3 THR HA H 3 4.420 4.420 4.642 -0.222 17873
992 1 44 . 1 1 3 3 THR CA C 3 61.800 61.800 63.188 -1.388 17873
993 1 44 . 1 1 3 3 THR CB C 3 69.860 69.860 68.810 1.050 17873
994 1 44 . 1 1 3 3 THR H H 3 8.280 8.280 8.019 0.261 17873
995 1 44 . 1 1 4 4 THR N N 4 116.700 116.700 116.266 0.434 17873
996 1 44 . 1 1 4 4 THR HA H 4 4.500 4.500 4.777 -0.277 17873
997 1 44 . 1 1 4 4 THR CA C 4 61.590 61.590 60.961 0.629 17873
998 1 44 . 1 1 4 4 THR CB C 4 70.120 70.120 70.303 -0.183 17873
999 1 44 . 1 1 4 4 THR H H 4 8.130 8.130 8.136 -0.006 17873
1000 1 44 . 1 1 5 5 THR N N 5 116.100 116.100 113.336 2.764 17873
1001 1 44 . 1 1 5 5 THR HA H 5 4.700 4.700 4.713 -0.013 17873
1002 1 44 . 1 1 5 5 THR CA C 5 58.610 58.610 60.450 -1.840 17873
1003 1 44 . 1 1 5 5 THR CB C 5 77.640 77.640 68.882 8.758 17873
1004 1 44 . 1 1 5 5 THR H H 5 8.510 8.510 8.027 0.483 17873
1005 1 44 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.599 -0.149 17873
1006 1 44 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.342 0.308 17873
1007 1 44 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.314 0.036 17873
1008 1 44 . 1 1 7 7 LEU N N 7 121.500 121.500 123.579 -2.079 17873
1009 1 44 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.321 -0.181 17873
1010 1 44 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.644 -0.164 17873
1011 1 44 . 1 1 7 7 LEU CB C 7 42.640 42.640 41.690 0.950 17873
1012 1 44 . 1 1 7 7 LEU H H 7 8.210 8.210 8.380 -0.170 17873
1013 1 45 . 1 1 3 3 THR N N 3 113.400 113.400 114.189 -0.789 17873
1014 1 45 . 1 1 3 3 THR HA H 3 4.420 4.420 4.492 -0.072 17873
1015 1 45 . 1 1 3 3 THR CA C 3 61.800 61.800 62.975 -1.175 17873
1016 1 45 . 1 1 3 3 THR CB C 3 69.860 69.860 68.946 0.914 17873
1017 1 45 . 1 1 3 3 THR H H 3 8.280 8.280 8.339 -0.059 17873
1018 1 45 . 1 1 4 4 THR N N 4 116.700 116.700 114.966 1.734 17873
1019 1 45 . 1 1 4 4 THR HA H 4 4.500 4.500 4.704 -0.204 17873
1020 1 45 . 1 1 4 4 THR CA C 4 61.590 61.590 61.295 0.295 17873
1021 1 45 . 1 1 4 4 THR CB C 4 70.120 70.120 71.175 -1.055 17873
1022 1 45 . 1 1 4 4 THR H H 4 8.130 8.130 8.121 0.009 17873
1023 1 45 . 1 1 5 5 THR N N 5 116.100 116.100 112.704 3.396 17873
1024 1 45 . 1 1 5 5 THR HA H 5 4.700 4.700 4.666 0.034 17873
1025 1 45 . 1 1 5 5 THR CA C 5 58.610 58.610 59.726 -1.116 17873
1026 1 45 . 1 1 5 5 THR CB C 5 77.640 77.640 69.221 8.419 17873
1027 1 45 . 1 1 5 5 THR H H 5 8.510 8.510 7.861 0.649 17873
1028 1 45 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.354 0.096 17873
1029 1 45 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.097 -0.447 17873
1030 1 45 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.200 0.150 17873
1031 1 45 . 1 1 7 7 LEU N N 7 121.500 121.500 123.513 -2.013 17873
1032 1 45 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.443 -0.303 17873
1033 1 45 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.998 0.482 17873
1034 1 45 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.796 -0.156 17873
1035 1 45 . 1 1 7 7 LEU H H 7 8.210 8.210 8.237 -0.027 17873
1036 1 46 . 1 1 3 3 THR N N 3 113.400 113.400 116.569 -3.169 17873
1037 1 46 . 1 1 3 3 THR HA H 3 4.420 4.420 4.766 -0.346 17873
1038 1 46 . 1 1 3 3 THR CA C 3 61.800 61.800 62.537 -0.737 17873
1039 1 46 . 1 1 3 3 THR CB C 3 69.860 69.860 68.883 0.977 17873
1040 1 46 . 1 1 3 3 THR H H 3 8.280 8.280 8.615 -0.335 17873
1041 1 46 . 1 1 4 4 THR N N 4 116.700 116.700 114.241 2.459 17873
1042 1 46 . 1 1 4 4 THR HA H 4 4.500 4.500 4.761 -0.261 17873
1043 1 46 . 1 1 4 4 THR CA C 4 61.590 61.590 61.505 0.084 17873
1044 1 46 . 1 1 4 4 THR CB C 4 70.120 70.120 72.219 -2.099 17873
1045 1 46 . 1 1 4 4 THR H H 4 8.130 8.130 8.441 -0.311 17873
1046 1 46 . 1 1 5 5 THR N N 5 116.100 116.100 113.015 3.085 17873
1047 1 46 . 1 1 5 5 THR HA H 5 4.700 4.700 4.714 -0.014 17873
1048 1 46 . 1 1 5 5 THR CA C 5 58.610 58.610 58.855 -0.245 17873
1049 1 46 . 1 1 5 5 THR CB C 5 77.640 77.640 70.794 6.846 17873
1050 1 46 . 1 1 5 5 THR H H 5 8.510 8.510 7.941 0.569 17873
1051 1 46 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.275 0.175 17873
1052 1 46 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.331 -1.681 17873
1053 1 46 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.748 1.602 17873
1054 1 46 . 1 1 7 7 LEU N N 7 121.500 121.500 119.529 1.971 17873
1055 1 46 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.356 -0.216 17873
1056 1 46 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.878 0.602 17873
1057 1 46 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.114 -0.474 17873
1058 1 46 . 1 1 7 7 LEU H H 7 8.210 8.210 8.621 -0.411 17873
1059 1 47 . 1 1 3 3 THR N N 3 113.400 113.400 112.540 0.860 17873
1060 1 47 . 1 1 3 3 THR HA H 3 4.420 4.420 4.593 -0.173 17873
1061 1 47 . 1 1 3 3 THR CA C 3 61.800 61.800 63.417 -1.617 17873
1062 1 47 . 1 1 3 3 THR CB C 3 69.860 69.860 70.006 -0.146 17873
1063 1 47 . 1 1 3 3 THR H H 3 8.280 8.280 8.252 0.028 17873
1064 1 47 . 1 1 4 4 THR N N 4 116.700 116.700 115.795 0.905 17873
1065 1 47 . 1 1 4 4 THR HA H 4 4.500 4.500 4.515 -0.015 17873
1066 1 47 . 1 1 4 4 THR CA C 4 61.590 61.590 61.617 -0.027 17873
1067 1 47 . 1 1 4 4 THR CB C 4 70.120 70.120 69.227 0.893 17873
1068 1 47 . 1 1 4 4 THR H H 4 8.130 8.130 7.881 0.249 17873
1069 1 47 . 1 1 5 5 THR N N 5 116.100 116.100 115.212 0.888 17873
1070 1 47 . 1 1 5 5 THR HA H 5 4.700 4.700 4.638 0.062 17873
1071 1 47 . 1 1 5 5 THR CA C 5 58.610 58.610 59.785 -1.175 17873
1072 1 47 . 1 1 5 5 THR CB C 5 77.640 77.640 69.271 8.369 17873
1073 1 47 . 1 1 5 5 THR H H 5 8.510 8.510 7.824 0.686 17873
1074 1 47 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.416 0.034 17873
1075 1 47 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.464 -0.814 17873
1076 1 47 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.406 0.944 17873
1077 1 47 . 1 1 7 7 LEU N N 7 121.500 121.500 120.761 0.739 17873
1078 1 47 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.578 -0.438 17873
1079 1 47 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.455 1.025 17873
1080 1 47 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.235 0.405 17873
1081 1 47 . 1 1 7 7 LEU H H 7 8.210 8.210 7.859 0.351 17873
1082 1 48 . 1 1 3 3 THR N N 3 113.400 113.400 115.994 -2.594 17873
1083 1 48 . 1 1 3 3 THR HA H 3 4.420 4.420 4.615 -0.195 17873
1084 1 48 . 1 1 3 3 THR CA C 3 61.800 61.800 62.445 -0.645 17873
1085 1 48 . 1 1 3 3 THR CB C 3 69.860 69.860 69.474 0.386 17873
1086 1 48 . 1 1 3 3 THR H H 3 8.280 8.280 8.121 0.159 17873
1087 1 48 . 1 1 4 4 THR N N 4 116.700 116.700 118.346 -1.646 17873
1088 1 48 . 1 1 4 4 THR HA H 4 4.500 4.500 4.612 -0.112 17873
1089 1 48 . 1 1 4 4 THR CA C 4 61.590 61.590 61.570 0.020 17873
1090 1 48 . 1 1 4 4 THR CB C 4 70.120 70.120 69.641 0.479 17873
1091 1 48 . 1 1 4 4 THR H H 4 8.130 8.130 8.599 -0.469 17873
1092 1 48 . 1 1 5 5 THR N N 5 116.100 116.100 114.735 1.365 17873
1093 1 48 . 1 1 5 5 THR HA H 5 4.700 4.700 4.695 0.005 17873
1094 1 48 . 1 1 5 5 THR CA C 5 58.610 58.610 59.838 -1.228 17873
1095 1 48 . 1 1 5 5 THR CB C 5 77.640 77.640 70.254 7.386 17873
1096 1 48 . 1 1 5 5 THR H H 5 8.510 8.510 7.963 0.547 17873
1097 1 48 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.372 0.078 17873
1098 1 48 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.239 -0.589 17873
1099 1 48 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.077 0.273 17873
1100 1 48 . 1 1 7 7 LEU N N 7 121.500 121.500 124.182 -2.682 17873
1101 1 48 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.439 -0.299 17873
1102 1 48 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.043 0.437 17873
1103 1 48 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.997 -0.357 17873
1104 1 48 . 1 1 7 7 LEU H H 7 8.210 8.210 8.164 0.046 17873
1105 1 49 . 1 1 3 3 THR N N 3 113.400 113.400 117.553 -4.153 17873
1106 1 49 . 1 1 3 3 THR HA H 3 4.420 4.420 4.489 -0.069 17873
1107 1 49 . 1 1 3 3 THR CA C 3 61.800 61.800 62.898 -1.098 17873
1108 1 49 . 1 1 3 3 THR CB C 3 69.860 69.860 69.625 0.235 17873
1109 1 49 . 1 1 3 3 THR H H 3 8.280 8.280 8.181 0.099 17873
1110 1 49 . 1 1 4 4 THR N N 4 116.700 116.700 118.102 -1.402 17873
1111 1 49 . 1 1 4 4 THR HA H 4 4.500 4.500 4.524 -0.024 17873
1112 1 49 . 1 1 4 4 THR CA C 4 61.590 61.590 62.105 -0.515 17873
1113 1 49 . 1 1 4 4 THR CB C 4 70.120 70.120 69.063 1.057 17873
1114 1 49 . 1 1 4 4 THR H H 4 8.130 8.130 8.420 -0.290 17873
1115 1 49 . 1 1 5 5 THR N N 5 116.100 116.100 114.803 1.297 17873
1116 1 49 . 1 1 5 5 THR HA H 5 4.700 4.700 4.656 0.044 17873
1117 1 49 . 1 1 5 5 THR CA C 5 58.610 58.610 59.754 -1.144 17873
1118 1 49 . 1 1 5 5 THR CB C 5 77.640 77.640 69.790 7.850 17873
1119 1 49 . 1 1 5 5 THR H H 5 8.510 8.510 7.698 0.812 17873
1120 1 49 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.388 0.062 17873
1121 1 49 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.293 -0.643 17873
1122 1 49 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.949 1.401 17873
1123 1 49 . 1 1 7 7 LEU N N 7 121.500 121.500 121.094 0.406 17873
1124 1 49 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.590 -0.450 17873
1125 1 49 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.916 0.564 17873
1126 1 49 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.481 0.159 17873
1127 1 49 . 1 1 7 7 LEU H H 7 8.210 8.210 8.074 0.136 17873
1128 1 50 . 1 1 3 3 THR N N 3 113.400 113.400 113.956 -0.556 17873
1129 1 50 . 1 1 3 3 THR HA H 3 4.420 4.420 4.626 -0.206 17873
1130 1 50 . 1 1 3 3 THR CA C 3 61.800 61.800 62.481 -0.681 17873
1131 1 50 . 1 1 3 3 THR CB C 3 69.860 69.860 69.607 0.253 17873
1132 1 50 . 1 1 3 3 THR H H 3 8.280 8.280 8.248 0.031 17873
1133 1 50 . 1 1 4 4 THR N N 4 116.700 116.700 118.198 -1.498 17873
1134 1 50 . 1 1 4 4 THR HA H 4 4.500 4.500 4.742 -0.242 17873
1135 1 50 . 1 1 4 4 THR CA C 4 61.590 61.590 61.445 0.145 17873
1136 1 50 . 1 1 4 4 THR CB C 4 70.120 70.120 69.713 0.407 17873
1137 1 50 . 1 1 4 4 THR H H 4 8.130 8.130 8.141 -0.011 17873
1138 1 50 . 1 1 5 5 THR N N 5 116.100 116.100 114.266 1.834 17873
1139 1 50 . 1 1 5 5 THR HA H 5 4.700 4.700 4.647 0.053 17873
1140 1 50 . 1 1 5 5 THR CA C 5 58.610 58.610 59.781 -1.171 17873
1141 1 50 . 1 1 5 5 THR CB C 5 77.640 77.640 69.975 7.665 17873
1142 1 50 . 1 1 5 5 THR H H 5 8.510 8.510 7.983 0.527 17873
1143 1 50 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.322 0.128 17873
1144 1 50 . 1 1 6 6 PRO CA C 6 62.650 62.650 64.136 -1.486 17873
1145 1 50 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.830 1.520 17873
1146 1 50 . 1 1 7 7 LEU N N 7 121.500 121.500 121.233 0.267 17873
1147 1 50 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.439 -0.299 17873
1148 1 50 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.116 0.364 17873
1149 1 50 . 1 1 7 7 LEU CB C 7 42.640 42.640 43.293 -0.653 17873
1150 1 50 . 1 1 7 7 LEU H H 7 8.210 8.210 8.360 -0.150 17873
1151 1 51 . 1 1 3 3 THR N N 3 113.400 113.400 116.235 -2.835 17873
1152 1 51 . 1 1 3 3 THR HA H 3 4.420 4.420 4.835 -0.415 17873
1153 1 51 . 1 1 3 3 THR CA C 3 61.800 61.800 62.125 -0.325 17873
1154 1 51 . 1 1 3 3 THR CB C 3 69.860 69.860 69.809 0.051 17873
1155 1 51 . 1 1 3 3 THR H H 3 8.280 8.280 8.241 0.039 17873
1156 1 51 . 1 1 4 4 THR N N 4 116.700 116.700 115.934 0.766 17873
1157 1 51 . 1 1 4 4 THR HA H 4 4.500 4.500 4.753 -0.253 17873
1158 1 51 . 1 1 4 4 THR CA C 4 61.590 61.590 61.684 -0.094 17873
1159 1 51 . 1 1 4 4 THR CB C 4 70.120 70.120 70.465 -0.345 17873
1160 1 51 . 1 1 4 4 THR H H 4 8.130 8.130 8.608 -0.478 17873
1161 1 51 . 1 1 5 5 THR N N 5 116.100 116.100 112.681 3.419 17873
1162 1 51 . 1 1 5 5 THR HA H 5 4.700 4.700 4.563 0.137 17873
1163 1 51 . 1 1 5 5 THR CA C 5 58.610 58.610 59.095 -0.485 17873
1164 1 51 . 1 1 5 5 THR CB C 5 77.640 77.640 69.844 7.796 17873
1165 1 51 . 1 1 5 5 THR H H 5 8.510 8.510 7.807 0.703 17873
1166 1 51 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.410 0.040 17873
1167 1 51 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.270 -0.619 17873
1168 1 51 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.875 0.474 17873
1169 1 51 . 1 1 7 7 LEU N N 7 121.500 121.500 120.219 1.281 17873
1170 1 51 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.585 -0.445 17873
1171 1 51 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.553 0.927 17873
1172 1 51 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.508 0.132 17873
1173 1 51 . 1 1 7 7 LEU H H 7 8.210 8.210 7.993 0.217 17873
1174 1 52 . 1 1 3 3 THR N N 3 113.400 113.400 114.134 -0.734 17873
1175 1 52 . 1 1 3 3 THR HA H 3 4.420 4.420 4.614 -0.194 17873
1176 1 52 . 1 1 3 3 THR CA C 3 61.800 61.800 62.878 -1.078 17873
1177 1 52 . 1 1 3 3 THR CB C 3 69.860 69.860 69.006 0.854 17873
1178 1 52 . 1 1 3 3 THR H H 3 8.280 8.280 8.768 -0.488 17873
1179 1 52 . 1 1 4 4 THR N N 4 116.700 116.700 112.755 3.945 17873
1180 1 52 . 1 1 4 4 THR HA H 4 4.500 4.500 4.905 -0.405 17873
1181 1 52 . 1 1 4 4 THR CA C 4 61.590 61.590 60.952 0.638 17873
1182 1 52 . 1 1 4 4 THR CB C 4 70.120 70.120 71.855 -1.735 17873
1183 1 52 . 1 1 4 4 THR H H 4 8.130 8.130 8.446 -0.316 17873
1184 1 52 . 1 1 5 5 THR N N 5 116.100 116.100 113.024 3.076 17873
1185 1 52 . 1 1 5 5 THR HA H 5 4.700 4.700 4.635 0.065 17873
1186 1 52 . 1 1 5 5 THR CA C 5 58.610 58.610 59.325 -0.715 17873
1187 1 52 . 1 1 5 5 THR CB C 5 77.640 77.640 69.947 7.693 17873
1188 1 52 . 1 1 5 5 THR H H 5 8.510 8.510 8.107 0.403 17873
1189 1 52 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.244 0.206 17873
1190 1 52 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.640 -0.990 17873
1191 1 52 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.894 1.456 17873
1192 1 52 . 1 1 7 7 LEU N N 7 121.500 121.500 121.446 0.054 17873
1193 1 52 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.168 -0.028 17873
1194 1 52 . 1 1 7 7 LEU CA C 7 55.480 55.480 56.166 -0.686 17873
1195 1 52 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.436 0.204 17873
1196 1 52 . 1 1 7 7 LEU H H 7 8.210 8.210 9.080 -0.870 17873
1197 1 53 . 1 1 3 3 THR N N 3 113.400 113.400 118.601 -5.201 17873
1198 1 53 . 1 1 3 3 THR HA H 3 4.420 4.420 4.686 -0.266 17873
1199 1 53 . 1 1 3 3 THR CA C 3 61.800 61.800 62.388 -0.588 17873
1200 1 53 . 1 1 3 3 THR CB C 3 69.860 69.860 69.277 0.583 17873
1201 1 53 . 1 1 3 3 THR H H 3 8.280 8.280 8.370 -0.090 17873
1202 1 53 . 1 1 4 4 THR N N 4 116.700 116.700 121.072 -4.372 17873
1203 1 53 . 1 1 4 4 THR HA H 4 4.500 4.500 4.650 -0.150 17873
1204 1 53 . 1 1 4 4 THR CA C 4 61.590 61.590 61.653 -0.063 17873
1205 1 53 . 1 1 4 4 THR CB C 4 70.120 70.120 70.817 -0.697 17873
1206 1 53 . 1 1 4 4 THR H H 4 8.130 8.130 8.308 -0.178 17873
1207 1 53 . 1 1 5 5 THR N N 5 116.100 116.100 114.114 1.986 17873
1208 1 53 . 1 1 5 5 THR HA H 5 4.700 4.700 4.676 0.024 17873
1209 1 53 . 1 1 5 5 THR CA C 5 58.610 58.610 59.709 -1.099 17873
1210 1 53 . 1 1 5 5 THR CB C 5 77.640 77.640 69.716 7.924 17873
1211 1 53 . 1 1 5 5 THR H H 5 8.510 8.510 8.099 0.411 17873
1212 1 53 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.308 0.142 17873
1213 1 53 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.497 -0.847 17873
1214 1 53 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.845 1.505 17873
1215 1 53 . 1 1 7 7 LEU N N 7 121.500 121.500 121.503 -0.003 17873
1216 1 53 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.174 -0.034 17873
1217 1 53 . 1 1 7 7 LEU CA C 7 55.480 55.480 56.095 -0.615 17873
1218 1 53 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.121 0.519 17873
1219 1 53 . 1 1 7 7 LEU H H 7 8.210 8.210 9.076 -0.866 17873
1220 1 54 . 1 1 3 3 THR N N 3 113.400 113.400 113.322 0.078 17873
1221 1 54 . 1 1 3 3 THR HA H 3 4.420 4.420 4.437 -0.017 17873
1222 1 54 . 1 1 3 3 THR CA C 3 61.800 61.800 63.881 -2.081 17873
1223 1 54 . 1 1 3 3 THR CB C 3 69.860 69.860 69.188 0.672 17873
1224 1 54 . 1 1 3 3 THR H H 3 8.280 8.280 8.647 -0.367 17873
1225 1 54 . 1 1 4 4 THR N N 4 116.700 116.700 113.618 3.082 17873
1226 1 54 . 1 1 4 4 THR HA H 4 4.500 4.500 4.682 -0.182 17873
1227 1 54 . 1 1 4 4 THR CA C 4 61.590 61.590 60.853 0.737 17873
1228 1 54 . 1 1 4 4 THR CB C 4 70.120 70.120 71.801 -1.681 17873
1229 1 54 . 1 1 4 4 THR H H 4 8.130 8.130 8.096 0.034 17873
1230 1 54 . 1 1 5 5 THR N N 5 116.100 116.100 113.258 2.842 17873
1231 1 54 . 1 1 5 5 THR HA H 5 4.700 4.700 4.573 0.127 17873
1232 1 54 . 1 1 5 5 THR CA C 5 58.610 58.610 59.643 -1.033 17873
1233 1 54 . 1 1 5 5 THR CB C 5 77.640 77.640 69.984 7.656 17873
1234 1 54 . 1 1 5 5 THR H H 5 8.510 8.510 7.984 0.526 17873
1235 1 54 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.413 0.037 17873
1236 1 54 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.277 -0.627 17873
1237 1 54 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.857 0.493 17873
1238 1 54 . 1 1 7 7 LEU N N 7 121.500 121.500 120.376 1.124 17873
1239 1 54 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.582 -0.442 17873
1240 1 54 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.538 0.942 17873
1241 1 54 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.457 0.183 17873
1242 1 54 . 1 1 7 7 LEU H H 7 8.210 8.210 7.970 0.240 17873
1243 1 55 . 1 1 3 3 THR N N 3 113.400 113.400 117.323 -3.923 17873
1244 1 55 . 1 1 3 3 THR HA H 3 4.420 4.420 4.600 -0.180 17873
1245 1 55 . 1 1 3 3 THR CA C 3 61.800 61.800 62.514 -0.714 17873
1246 1 55 . 1 1 3 3 THR CB C 3 69.860 69.860 70.045 -0.185 17873
1247 1 55 . 1 1 3 3 THR H H 3 8.280 8.280 8.155 0.125 17873
1248 1 55 . 1 1 4 4 THR N N 4 116.700 116.700 117.716 -1.016 17873
1249 1 55 . 1 1 4 4 THR HA H 4 4.500 4.500 4.720 -0.220 17873
1250 1 55 . 1 1 4 4 THR CA C 4 61.590 61.590 61.440 0.150 17873
1251 1 55 . 1 1 4 4 THR CB C 4 70.120 70.120 70.378 -0.258 17873
1252 1 55 . 1 1 4 4 THR H H 4 8.130 8.130 8.237 -0.107 17873
1253 1 55 . 1 1 5 5 THR N N 5 116.100 116.100 114.243 1.857 17873
1254 1 55 . 1 1 5 5 THR HA H 5 4.700 4.700 4.660 0.040 17873
1255 1 55 . 1 1 5 5 THR CA C 5 58.610 58.610 59.099 -0.488 17873
1256 1 55 . 1 1 5 5 THR CB C 5 77.640 77.640 70.500 7.140 17873
1257 1 55 . 1 1 5 5 THR H H 5 8.510 8.510 8.024 0.486 17873
1258 1 55 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.326 0.124 17873
1259 1 55 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.615 -0.965 17873
1260 1 55 . 1 1 6 6 PRO CB C 6 32.350 32.350 30.551 1.799 17873
1261 1 55 . 1 1 7 7 LEU N N 7 121.500 121.500 124.128 -2.628 17873
1262 1 55 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.175 -0.035 17873
1263 1 55 . 1 1 7 7 LEU CA C 7 55.480 55.480 56.365 -0.885 17873
1264 1 55 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.436 0.204 17873
1265 1 55 . 1 1 7 7 LEU H H 7 8.210 8.210 8.706 -0.496 17873
1266 1 56 . 1 1 3 3 THR N N 3 113.400 113.400 114.195 -0.795 17873
1267 1 56 . 1 1 3 3 THR HA H 3 4.420 4.420 4.828 -0.408 17873
1268 1 56 . 1 1 3 3 THR CA C 3 61.800 61.800 61.827 -0.027 17873
1269 1 56 . 1 1 3 3 THR CB C 3 69.860 69.860 69.433 0.426 17873
1270 1 56 . 1 1 3 3 THR H H 3 8.280 8.280 8.145 0.135 17873
1271 1 56 . 1 1 4 4 THR N N 4 116.700 116.700 114.735 1.965 17873
1272 1 56 . 1 1 4 4 THR HA H 4 4.500 4.500 4.793 -0.293 17873
1273 1 56 . 1 1 4 4 THR CA C 4 61.590 61.590 61.574 0.016 17873
1274 1 56 . 1 1 4 4 THR CB C 4 70.120 70.120 70.813 -0.693 17873
1275 1 56 . 1 1 4 4 THR H H 4 8.130 8.130 8.610 -0.480 17873
1276 1 56 . 1 1 5 5 THR N N 5 116.100 116.100 113.727 2.373 17873
1277 1 56 . 1 1 5 5 THR HA H 5 4.700 4.700 4.621 0.079 17873
1278 1 56 . 1 1 5 5 THR CA C 5 58.610 58.610 59.753 -1.143 17873
1279 1 56 . 1 1 5 5 THR CB C 5 77.640 77.640 69.365 8.275 17873
1280 1 56 . 1 1 5 5 THR H H 5 8.510 8.510 7.911 0.599 17873
1281 1 56 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.363 0.087 17873
1282 1 56 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.143 -0.493 17873
1283 1 56 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.137 0.213 17873
1284 1 56 . 1 1 7 7 LEU N N 7 121.500 121.500 123.116 -1.616 17873
1285 1 56 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.387 -0.247 17873
1286 1 56 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.767 0.712 17873
1287 1 56 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.023 0.617 17873
1288 1 56 . 1 1 7 7 LEU H H 7 8.210 8.210 8.242 -0.032 17873
1289 1 57 . 1 1 3 3 THR N N 3 113.400 113.400 115.527 -2.127 17873
1290 1 57 . 1 1 3 3 THR HA H 3 4.420 4.420 4.752 -0.332 17873
1291 1 57 . 1 1 3 3 THR CA C 3 61.800 61.800 62.111 -0.311 17873
1292 1 57 . 1 1 3 3 THR CB C 3 69.860 69.860 69.336 0.524 17873
1293 1 57 . 1 1 3 3 THR H H 3 8.280 8.280 8.274 0.006 17873
1294 1 57 . 1 1 4 4 THR N N 4 116.700 116.700 114.875 1.825 17873
1295 1 57 . 1 1 4 4 THR HA H 4 4.500 4.500 4.664 -0.164 17873
1296 1 57 . 1 1 4 4 THR CA C 4 61.590 61.590 61.596 -0.006 17873
1297 1 57 . 1 1 4 4 THR CB C 4 70.120 70.120 71.195 -1.075 17873
1298 1 57 . 1 1 4 4 THR H H 4 8.130 8.130 8.546 -0.416 17873
1299 1 57 . 1 1 5 5 THR N N 5 116.100 116.100 113.304 2.796 17873
1300 1 57 . 1 1 5 5 THR HA H 5 4.700 4.700 4.622 0.078 17873
1301 1 57 . 1 1 5 5 THR CA C 5 58.610 58.610 59.645 -1.035 17873
1302 1 57 . 1 1 5 5 THR CB C 5 77.640 77.640 69.622 8.018 17873
1303 1 57 . 1 1 5 5 THR H H 5 8.510 8.510 7.890 0.620 17873
1304 1 57 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.346 0.104 17873
1305 1 57 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.019 -0.369 17873
1306 1 57 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.765 0.585 17873
1307 1 57 . 1 1 7 7 LEU N N 7 121.500 121.500 122.782 -1.282 17873
1308 1 57 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.385 -0.245 17873
1309 1 57 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.589 0.891 17873
1310 1 57 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.072 0.568 17873
1311 1 57 . 1 1 7 7 LEU H H 7 8.210 8.210 8.048 0.162 17873
1312 1 58 . 1 1 3 3 THR N N 3 113.400 113.400 113.464 -0.064 17873
1313 1 58 . 1 1 3 3 THR HA H 3 4.420 4.420 4.830 -0.410 17873
1314 1 58 . 1 1 3 3 THR CA C 3 61.800 61.800 62.396 -0.596 17873
1315 1 58 . 1 1 3 3 THR CB C 3 69.860 69.860 69.434 0.426 17873
1316 1 58 . 1 1 3 3 THR H H 3 8.280 8.280 8.329 -0.049 17873
1317 1 58 . 1 1 4 4 THR N N 4 116.700 116.700 115.388 1.312 17873
1318 1 58 . 1 1 4 4 THR HA H 4 4.500 4.500 4.804 -0.304 17873
1319 1 58 . 1 1 4 4 THR CA C 4 61.590 61.590 61.530 0.060 17873
1320 1 58 . 1 1 4 4 THR CB C 4 70.120 70.120 71.558 -1.438 17873
1321 1 58 . 1 1 4 4 THR H H 4 8.130 8.130 8.604 -0.474 17873
1322 1 58 . 1 1 5 5 THR N N 5 116.100 116.100 113.633 2.467 17873
1323 1 58 . 1 1 5 5 THR HA H 5 4.700 4.700 4.676 0.024 17873
1324 1 58 . 1 1 5 5 THR CA C 5 58.610 58.610 60.357 -1.747 17873
1325 1 58 . 1 1 5 5 THR CB C 5 77.640 77.640 69.005 8.635 17873
1326 1 58 . 1 1 5 5 THR H H 5 8.510 8.510 7.976 0.534 17873
1327 1 58 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.479 -0.029 17873
1328 1 58 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.056 -0.406 17873
1329 1 58 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.523 0.827 17873
1330 1 58 . 1 1 7 7 LEU N N 7 121.500 121.500 121.653 -0.153 17873
1331 1 58 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.474 -0.334 17873
1332 1 58 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.994 0.486 17873
1333 1 58 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.499 0.141 17873
1334 1 58 . 1 1 7 7 LEU H H 7 8.210 8.210 7.948 0.262 17873
1335 1 59 . 1 1 3 3 THR N N 3 113.400 113.400 115.639 -2.239 17873
1336 1 59 . 1 1 3 3 THR HA H 3 4.420 4.420 4.523 -0.103 17873
1337 1 59 . 1 1 3 3 THR CA C 3 61.800 61.800 61.995 -0.195 17873
1338 1 59 . 1 1 3 3 THR CB C 3 69.860 69.860 69.787 0.073 17873
1339 1 59 . 1 1 3 3 THR H H 3 8.280 8.280 8.098 0.182 17873
1340 1 59 . 1 1 4 4 THR N N 4 116.700 116.700 116.238 0.462 17873
1341 1 59 . 1 1 4 4 THR HA H 4 4.500 4.500 4.712 -0.212 17873
1342 1 59 . 1 1 4 4 THR CA C 4 61.590 61.590 61.138 0.452 17873
1343 1 59 . 1 1 4 4 THR CB C 4 70.120 70.120 70.336 -0.216 17873
1344 1 59 . 1 1 4 4 THR H H 4 8.130 8.130 8.347 -0.217 17873
1345 1 59 . 1 1 5 5 THR N N 5 116.100 116.100 113.080 3.020 17873
1346 1 59 . 1 1 5 5 THR HA H 5 4.700 4.700 4.582 0.118 17873
1347 1 59 . 1 1 5 5 THR CA C 5 58.610 58.610 59.633 -1.023 17873
1348 1 59 . 1 1 5 5 THR CB C 5 77.640 77.640 69.703 7.937 17873
1349 1 59 . 1 1 5 5 THR H H 5 8.510 8.510 7.952 0.558 17873
1350 1 59 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.402 0.048 17873
1351 1 59 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.341 -0.691 17873
1352 1 59 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.735 0.615 17873
1353 1 59 . 1 1 7 7 LEU N N 7 121.500 121.500 120.266 1.234 17873
1354 1 59 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.560 -0.420 17873
1355 1 59 . 1 1 7 7 LEU CA C 7 55.480 55.480 54.617 0.863 17873
1356 1 59 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.426 0.214 17873
1357 1 59 . 1 1 7 7 LEU H H 7 8.210 8.210 7.872 0.338 17873
1358 1 60 . 1 1 3 3 THR N N 3 113.400 113.400 113.998 -0.598 17873
1359 1 60 . 1 1 3 3 THR HA H 3 4.420 4.420 4.489 -0.069 17873
1360 1 60 . 1 1 3 3 THR CA C 3 61.800 61.800 62.870 -1.070 17873
1361 1 60 . 1 1 3 3 THR CB C 3 69.860 69.860 69.401 0.459 17873
1362 1 60 . 1 1 3 3 THR H H 3 8.280 8.280 8.436 -0.156 17873
1363 1 60 . 1 1 4 4 THR N N 4 116.700 116.700 114.867 1.833 17873
1364 1 60 . 1 1 4 4 THR HA H 4 4.500 4.500 4.681 -0.181 17873
1365 1 60 . 1 1 4 4 THR CA C 4 61.590 61.590 61.627 -0.037 17873
1366 1 60 . 1 1 4 4 THR CB C 4 70.120 70.120 69.528 0.592 17873
1367 1 60 . 1 1 4 4 THR H H 4 8.130 8.130 7.741 0.389 17873
1368 1 60 . 1 1 5 5 THR N N 5 116.100 116.100 114.752 1.348 17873
1369 1 60 . 1 1 5 5 THR HA H 5 4.700 4.700 4.710 -0.010 17873
1370 1 60 . 1 1 5 5 THR CA C 5 58.610 58.610 60.219 -1.609 17873
1371 1 60 . 1 1 5 5 THR CB C 5 77.640 77.640 69.507 8.133 17873
1372 1 60 . 1 1 5 5 THR H H 5 8.510 8.510 7.909 0.601 17873
1373 1 60 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.410 0.040 17873
1374 1 60 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.231 -0.581 17873
1375 1 60 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.046 0.304 17873
1376 1 60 . 1 1 7 7 LEU N N 7 121.500 121.500 124.070 -2.570 17873
1377 1 60 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.422 -0.282 17873
1378 1 60 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.456 0.024 17873
1379 1 60 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.773 -0.133 17873
1380 1 60 . 1 1 7 7 LEU H H 7 8.210 8.210 8.241 -0.031 17873
1381 1 61 . 1 1 3 3 THR N N 3 113.400 113.400 120.121 -6.721 17873
1382 1 61 . 1 1 3 3 THR HA H 3 4.420 4.420 4.449 -0.029 17873
1383 1 61 . 1 1 3 3 THR CA C 3 61.800 61.800 62.383 -0.583 17873
1384 1 61 . 1 1 3 3 THR CB C 3 69.860 69.860 68.758 1.102 17873
1385 1 61 . 1 1 3 3 THR H H 3 8.280 8.280 8.118 0.162 17873
1386 1 61 . 1 1 4 4 THR N N 4 116.700 116.700 117.557 -0.857 17873
1387 1 61 . 1 1 4 4 THR HA H 4 4.500 4.500 4.578 -0.078 17873
1388 1 61 . 1 1 4 4 THR CA C 4 61.590 61.590 61.576 0.014 17873
1389 1 61 . 1 1 4 4 THR CB C 4 70.120 70.120 70.690 -0.570 17873
1390 1 61 . 1 1 4 4 THR H H 4 8.130 8.130 7.674 0.456 17873
1391 1 61 . 1 1 5 5 THR N N 5 116.100 116.100 117.486 -1.386 17873
1392 1 61 . 1 1 5 5 THR HA H 5 4.700 4.700 4.638 0.062 17873
1393 1 61 . 1 1 5 5 THR CA C 5 58.610 58.610 59.332 -0.722 17873
1394 1 61 . 1 1 5 5 THR CB C 5 77.640 77.640 68.436 9.204 17873
1395 1 61 . 1 1 5 5 THR H H 5 8.510 8.510 8.059 0.451 17873
1396 1 61 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.471 -0.021 17873
1397 1 61 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.061 -0.411 17873
1398 1 61 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.430 0.920 17873
1399 1 61 . 1 1 7 7 LEU N N 7 121.500 121.500 121.804 -0.304 17873
1400 1 61 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.473 -0.333 17873
1401 1 61 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.027 0.453 17873
1402 1 61 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.453 0.187 17873
1403 1 61 . 1 1 7 7 LEU H H 7 8.210 8.210 7.976 0.234 17873
1404 1 62 . 1 1 3 3 THR N N 3 113.400 113.400 115.456 -2.056 17873
1405 1 62 . 1 1 3 3 THR HA H 3 4.420 4.420 4.627 -0.207 17873
1406 1 62 . 1 1 3 3 THR CA C 3 61.800 61.800 62.027 -0.227 17873
1407 1 62 . 1 1 3 3 THR CB C 3 69.860 69.860 68.627 1.233 17873
1408 1 62 . 1 1 3 3 THR H H 3 8.280 8.280 8.222 0.058 17873
1409 1 62 . 1 1 4 4 THR N N 4 116.700 116.700 119.540 -2.840 17873
1410 1 62 . 1 1 4 4 THR HA H 4 4.500 4.500 4.704 -0.204 17873
1411 1 62 . 1 1 4 4 THR CA C 4 61.590 61.590 61.486 0.104 17873
1412 1 62 . 1 1 4 4 THR CB C 4 70.120 70.120 70.390 -0.270 17873
1413 1 62 . 1 1 4 4 THR H H 4 8.130 8.130 8.242 -0.112 17873
1414 1 62 . 1 1 5 5 THR N N 5 116.100 116.100 113.990 2.110 17873
1415 1 62 . 1 1 5 5 THR HA H 5 4.700 4.700 4.671 0.029 17873
1416 1 62 . 1 1 5 5 THR CA C 5 58.610 58.610 59.606 -0.996 17873
1417 1 62 . 1 1 5 5 THR CB C 5 77.640 77.640 69.219 8.421 17873
1418 1 62 . 1 1 5 5 THR H H 5 8.510 8.510 7.901 0.609 17873
1419 1 62 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.361 0.089 17873
1420 1 62 . 1 1 6 6 PRO CA C 6 62.650 62.650 62.982 -0.332 17873
1421 1 62 . 1 1 6 6 PRO CB C 6 32.350 32.350 32.115 0.235 17873
1422 1 62 . 1 1 7 7 LEU N N 7 121.500 121.500 125.825 -4.325 17873
1423 1 62 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.273 -0.133 17873
1424 1 62 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.547 -0.067 17873
1425 1 62 . 1 1 7 7 LEU CB C 7 42.640 42.640 40.769 1.871 17873
1426 1 62 . 1 1 7 7 LEU H H 7 8.210 8.210 8.467 -0.257 17873
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 4 2.295 -1.485 2.021 17873
2 1 1 "Average Difference" HA 5 0.294 0.187 0.255 17873
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17873
4 1 1 "Average Difference" CA 5 0.686 0.050 0.765 17873
5 1 1 "Average Difference" CB 5 3.470 -1.377 3.561 17873
6 1 1 "Average Difference" HN 4 0.367 -0.061 0.418 17873
7 1 2 "Average Difference" N 4 1.896 -1.204 1.691 17873
8 1 2 "Average Difference" HA 5 0.288 0.202 0.229 17873
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17873
10 1 2 "Average Difference" CA 5 1.038 0.476 1.031 17873
11 1 2 "Average Difference" CB 5 3.684 -1.146 3.915 17873
12 1 2 "Average Difference" HN 4 0.396 0.116 0.437 17873
13 1 3 "Average Difference" N 4 1.989 -0.172 2.289 17873
14 1 3 "Average Difference" HA 5 0.150 0.054 0.157 17873
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17873
16 1 3 "Average Difference" CA 5 0.643 0.376 0.583 17873
17 1 3 "Average Difference" CB 5 3.359 -1.691 3.245 17873
18 1 3 "Average Difference" HN 4 0.410 -0.172 0.430 17873
19 1 4 "Average Difference" N 4 1.936 -0.730 2.071 17873
20 1 4 "Average Difference" HA 5 0.233 0.181 0.164 17873
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17873
22 1 4 "Average Difference" CA 5 0.616 0.181 0.658 17873
23 1 4 "Average Difference" CB 5 3.586 -1.300 3.736 17873
24 1 4 "Average Difference" HN 4 0.261 -0.081 0.286 17873
25 1 5 "Average Difference" N 4 2.426 -0.497 2.742 17873
26 1 5 "Average Difference" HA 5 0.401 0.285 0.314 17873
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17873
28 1 5 "Average Difference" CA 5 0.860 0.277 0.910 17873
29 1 5 "Average Difference" CB 5 3.782 -1.537 3.863 17873
30 1 5 "Average Difference" HN 4 0.305 -0.080 0.339 17873
31 1 6 "Average Difference" N 4 2.060 -1.542 1.577 17873
32 1 6 "Average Difference" HA 5 0.107 0.038 0.112 17873
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17873
34 1 6 "Average Difference" CA 5 0.769 0.486 0.665 17873
35 1 6 "Average Difference" CB 5 3.831 -1.893 3.724 17873
36 1 6 "Average Difference" HN 4 0.293 -0.108 0.314 17873
37 1 7 "Average Difference" N 4 2.118 0.562 2.358 17873
38 1 7 "Average Difference" HA 5 0.309 0.163 0.294 17873
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17873
40 1 7 "Average Difference" CA 5 0.589 0.160 0.634 17873
41 1 7 "Average Difference" CB 5 3.829 -1.965 3.674 17873
42 1 7 "Average Difference" HN 4 0.459 0.117 0.512 17873
43 1 8 "Average Difference" N 4 1.583 0.576 1.703 17873
44 1 8 "Average Difference" HA 5 0.284 0.160 0.262 17873
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17873
46 1 8 "Average Difference" CA 5 0.798 0.440 0.744 17873
47 1 8 "Average Difference" CB 5 3.884 -1.721 3.892 17873
48 1 8 "Average Difference" HN 4 0.348 -0.096 0.386 17873
49 1 9 "Average Difference" N 4 3.863 0.105 4.459 17873
50 1 9 "Average Difference" HA 5 0.201 0.088 0.202 17873
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17873
52 1 9 "Average Difference" CA 5 0.961 0.100 1.068 17873
53 1 9 "Average Difference" CB 5 3.801 -1.600 3.854 17873
54 1 9 "Average Difference" HN 4 0.456 -0.317 0.379 17873
55 1 10 "Average Difference" N 4 2.291 -1.565 1.932 17873
56 1 10 "Average Difference" HA 5 0.149 0.009 0.166 17873
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17873
58 1 10 "Average Difference" CA 5 0.777 0.454 0.705 17873
59 1 10 "Average Difference" CB 5 3.753 -1.573 3.809 17873
60 1 10 "Average Difference" HN 4 0.415 -0.231 0.398 17873
61 1 11 "Average Difference" N 4 3.132 2.080 2.704 17873
62 1 11 "Average Difference" HA 5 0.143 0.087 0.127 17873
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17873
64 1 11 "Average Difference" CA 5 0.682 0.321 0.673 17873
65 1 11 "Average Difference" CB 5 3.911 -2.209 3.609 17873
66 1 11 "Average Difference" HN 4 0.322 -0.138 0.336 17873
67 1 12 "Average Difference" N 4 1.918 -1.235 1.695 17873
68 1 12 "Average Difference" HA 5 0.192 0.095 0.186 17873
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17873
70 1 12 "Average Difference" CA 5 0.828 0.136 0.913 17873
71 1 12 "Average Difference" CB 5 3.855 -1.815 3.802 17873
72 1 12 "Average Difference" HN 4 0.301 -0.187 0.273 17873
73 1 13 "Average Difference" N 4 1.773 -1.381 1.284 17873
74 1 13 "Average Difference" HA 5 0.213 0.067 0.226 17873
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17873
76 1 13 "Average Difference" CA 5 0.888 0.271 0.946 17873
77 1 13 "Average Difference" CB 5 3.483 -1.829 3.314 17873
78 1 13 "Average Difference" HN 4 0.403 -0.317 0.287 17873
79 1 14 "Average Difference" N 4 1.652 -0.564 1.793 17873
80 1 14 "Average Difference" HA 5 0.364 0.216 0.328 17873
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17873
82 1 14 "Average Difference" CA 5 0.776 0.310 0.795 17873
83 1 14 "Average Difference" CB 5 3.577 -1.301 3.726 17873
84 1 14 "Average Difference" HN 4 0.414 0.175 0.432 17873
85 1 15 "Average Difference" N 4 1.943 -0.282 2.220 17873
86 1 15 "Average Difference" HA 5 0.270 0.139 0.259 17873
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17873
88 1 15 "Average Difference" CA 5 1.106 0.660 0.992 17873
89 1 15 "Average Difference" CB 5 3.762 -1.302 3.946 17873
90 1 15 "Average Difference" HN 4 0.336 -0.127 0.360 17873
91 1 16 "Average Difference" N 4 2.147 -0.223 2.465 17873
92 1 16 "Average Difference" HA 5 0.145 0.052 0.152 17873
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17873
94 1 16 "Average Difference" CA 5 0.715 0.652 0.327 17873
95 1 16 "Average Difference" CB 5 3.311 -1.503 3.299 17873
96 1 16 "Average Difference" HN 4 0.366 -0.072 0.414 17873
97 1 17 "Average Difference" N 4 1.115 0.246 1.256 17873
98 1 17 "Average Difference" HA 5 0.132 0.051 0.135 17873
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17873
100 1 17 "Average Difference" CA 5 0.713 0.275 0.735 17873
101 1 17 "Average Difference" CB 5 3.616 -1.842 3.479 17873
102 1 17 "Average Difference" HN 4 0.312 -0.046 0.356 17873
103 1 18 "Average Difference" N 4 2.349 -0.627 2.614 17873
104 1 18 "Average Difference" HA 5 0.182 0.073 0.187 17873
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17873
106 1 18 "Average Difference" CA 5 0.975 0.588 0.871 17873
107 1 18 "Average Difference" CB 5 3.696 -1.627 3.710 17873
108 1 18 "Average Difference" HN 4 0.294 -0.076 0.328 17873
109 1 19 "Average Difference" N 4 1.389 0.845 1.274 17873
110 1 19 "Average Difference" HA 5 0.123 -0.003 0.137 17873
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17873
112 1 19 "Average Difference" CA 5 0.701 0.337 0.687 17873
113 1 19 "Average Difference" CB 5 3.955 -2.250 3.637 17873
114 1 19 "Average Difference" HN 4 0.369 -0.210 0.350 17873
115 1 20 "Average Difference" N 4 2.820 -0.917 3.079 17873
116 1 20 "Average Difference" HA 5 0.174 0.059 0.183 17873
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17873
118 1 20 "Average Difference" CA 5 0.910 0.346 0.941 17873
119 1 20 "Average Difference" CB 5 3.831 -1.934 3.697 17873
120 1 20 "Average Difference" HN 4 0.303 -0.125 0.319 17873
121 1 21 "Average Difference" N 4 1.924 -1.451 1.459 17873
122 1 21 "Average Difference" HA 5 0.265 0.168 0.228 17873
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17873
124 1 21 "Average Difference" CA 5 0.868 0.372 0.877 17873
125 1 21 "Average Difference" CB 5 3.739 -1.476 3.841 17873
126 1 21 "Average Difference" HN 4 0.339 -0.229 0.289 17873
127 1 22 "Average Difference" N 4 2.193 0.321 2.505 17873
128 1 22 "Average Difference" HA 5 0.068 0.008 0.076 17873
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 17873
130 1 22 "Average Difference" CA 5 0.915 0.702 0.657 17873
131 1 22 "Average Difference" CB 5 3.591 -1.865 3.432 17873
132 1 22 "Average Difference" HN 4 0.510 -0.190 0.547 17873
133 1 23 "Average Difference" N 4 2.089 -0.315 2.385 17873
134 1 23 "Average Difference" HA 5 0.130 0.047 0.135 17873
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 17873
136 1 23 "Average Difference" CA 5 0.935 0.167 1.029 17873
137 1 23 "Average Difference" CB 5 3.566 -1.887 3.384 17873
138 1 23 "Average Difference" HN 4 0.481 -0.352 0.379 17873
139 1 24 "Average Difference" N 4 3.221 1.532 3.272 17873
140 1 24 "Average Difference" HA 5 0.268 0.158 0.242 17873
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 17873
142 1 24 "Average Difference" CA 5 0.840 0.486 0.766 17873
143 1 24 "Average Difference" CB 5 3.603 -1.696 3.553 17873
144 1 24 "Average Difference" HN 4 0.316 -0.130 0.333 17873
145 1 25 "Average Difference" N 4 1.831 -0.417 2.059 17873
146 1 25 "Average Difference" HA 5 0.219 0.132 0.194 17873
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 17873
148 1 25 "Average Difference" CA 5 0.901 0.362 0.923 17873
149 1 25 "Average Difference" CB 5 3.984 -1.629 4.065 17873
150 1 25 "Average Difference" HN 4 0.312 -0.179 0.295 17873
151 1 26 "Average Difference" N 4 1.602 -0.847 1.571 17873
152 1 26 "Average Difference" HA 5 0.296 0.186 0.257 17873
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 17873
154 1 26 "Average Difference" CA 5 0.708 0.327 0.702 17873
155 1 26 "Average Difference" CB 5 3.343 -1.079 3.537 17873
156 1 26 "Average Difference" HN 4 0.340 0.032 0.391 17873
157 1 27 "Average Difference" N 4 1.640 0.402 1.836 17873
158 1 27 "Average Difference" HA 5 0.261 0.152 0.237 17873
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 17873
160 1 27 "Average Difference" CA 5 0.969 0.320 1.023 17873
161 1 27 "Average Difference" CB 5 3.585 -1.565 3.606 17873
162 1 27 "Average Difference" HN 4 0.250 -0.113 0.258 17873
163 1 28 "Average Difference" N 4 2.414 -1.126 2.466 17873
164 1 28 "Average Difference" HA 5 0.187 0.077 0.191 17873
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 17873
166 1 28 "Average Difference" CA 5 0.816 0.464 0.749 17873
167 1 28 "Average Difference" CB 5 3.610 -1.653 3.587 17873
168 1 28 "Average Difference" HN 4 0.482 -0.238 0.483 17873
169 1 29 "Average Difference" N 4 1.904 -1.065 1.822 17873
170 1 29 "Average Difference" HA 5 0.217 0.116 0.205 17873
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 17873
172 1 29 "Average Difference" CA 5 1.199 0.501 1.217 17873
173 1 29 "Average Difference" CB 5 3.766 -1.698 3.758 17873
174 1 29 "Average Difference" HN 4 0.326 -0.264 0.220 17873
175 1 30 "Average Difference" N 4 1.795 -0.598 1.954 17873
176 1 30 "Average Difference" HA 5 0.109 0.045 0.111 17873
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 17873
178 1 30 "Average Difference" CA 5 0.648 0.241 0.672 17873
179 1 30 "Average Difference" CB 5 3.614 -1.807 3.499 17873
180 1 30 "Average Difference" HN 4 0.339 -0.204 0.312 17873
181 1 31 "Average Difference" N 4 2.693 0.929 2.919 17873
182 1 31 "Average Difference" HA 5 0.176 0.063 0.183 17873
183 1 31 "Average Difference" C 0 0.000 0.000 0.000 17873
184 1 31 "Average Difference" CA 5 0.846 0.301 0.884 17873
185 1 31 "Average Difference" CB 5 4.023 -2.194 3.770 17873
186 1 31 "Average Difference" HN 4 0.318 -0.149 0.324 17873
187 1 32 "Average Difference" N 4 2.807 -1.427 2.791 17873
188 1 32 "Average Difference" HA 5 0.130 0.018 0.144 17873
189 1 32 "Average Difference" C 0 0.000 0.000 0.000 17873
190 1 32 "Average Difference" CA 5 1.069 0.646 0.952 17873
191 1 32 "Average Difference" CB 5 3.547 -1.614 3.532 17873
192 1 32 "Average Difference" HN 4 0.489 -0.203 0.513 17873
193 1 33 "Average Difference" N 4 2.261 -0.864 2.413 17873
194 1 33 "Average Difference" HA 5 0.177 0.086 0.174 17873
195 1 33 "Average Difference" C 0 0.000 0.000 0.000 17873
196 1 33 "Average Difference" CA 5 0.846 0.439 0.809 17873
197 1 33 "Average Difference" CB 5 3.834 -1.627 3.881 17873
198 1 33 "Average Difference" HN 4 0.317 -0.181 0.300 17873
199 1 34 "Average Difference" N 4 2.314 -1.686 1.830 17873
200 1 34 "Average Difference" HA 5 0.160 0.063 0.165 17873
201 1 34 "Average Difference" C 0 0.000 0.000 0.000 17873
202 1 34 "Average Difference" CA 5 0.791 0.238 0.843 17873
203 1 34 "Average Difference" CB 5 3.282 -1.543 3.239 17873
204 1 34 "Average Difference" HN 4 0.446 -0.257 0.421 17873
205 1 35 "Average Difference" N 4 2.501 -0.573 2.811 17873
206 1 35 "Average Difference" HA 5 0.115 0.037 0.122 17873
207 1 35 "Average Difference" C 0 0.000 0.000 0.000 17873
208 1 35 "Average Difference" CA 5 0.763 0.339 0.765 17873
209 1 35 "Average Difference" CB 5 3.451 -1.788 3.301 17873
210 1 35 "Average Difference" HN 4 0.458 -0.320 0.379 17873
211 1 36 "Average Difference" N 4 1.528 -0.626 1.610 17873
212 1 36 "Average Difference" HA 5 0.157 0.075 0.154 17873
213 1 36 "Average Difference" C 0 0.000 0.000 0.000 17873
214 1 36 "Average Difference" CA 5 0.855 0.358 0.868 17873
215 1 36 "Average Difference" CB 5 3.670 -1.795 3.580 17873
216 1 36 "Average Difference" HN 4 0.371 -0.254 0.312 17873
217 1 37 "Average Difference" N 4 2.880 -0.044 3.325 17873
218 1 37 "Average Difference" HA 5 0.235 0.093 0.242 17873
219 1 37 "Average Difference" C 0 0.000 0.000 0.000 17873
220 1 37 "Average Difference" CA 5 1.006 0.474 0.992 17873
221 1 37 "Average Difference" CB 5 3.659 -1.699 3.624 17873
222 1 37 "Average Difference" HN 4 0.482 -0.245 0.480 17873
223 1 38 "Average Difference" N 4 1.728 0.851 1.736 17873
224 1 38 "Average Difference" HA 5 0.246 0.104 0.249 17873
225 1 38 "Average Difference" C 0 0.000 0.000 0.000 17873
226 1 38 "Average Difference" CA 5 0.604 0.392 0.514 17873
227 1 38 "Average Difference" CB 5 4.036 -2.084 3.864 17873
228 1 38 "Average Difference" HN 4 0.259 -0.109 0.271 17873
229 1 39 "Average Difference" N 4 2.015 0.998 2.021 17873
230 1 39 "Average Difference" HA 5 0.272 0.157 0.248 17873
231 1 39 "Average Difference" C 0 0.000 0.000 0.000 17873
232 1 39 "Average Difference" CA 5 1.106 0.944 0.644 17873
233 1 39 "Average Difference" CB 5 3.880 -1.704 3.897 17873
234 1 39 "Average Difference" HN 4 0.278 -0.083 0.306 17873
235 1 40 "Average Difference" N 4 1.931 0.050 2.229 17873
236 1 40 "Average Difference" HA 5 0.240 0.166 0.193 17873
237 1 40 "Average Difference" C 0 0.000 0.000 0.000 17873
238 1 40 "Average Difference" CA 5 0.675 0.155 0.735 17873
239 1 40 "Average Difference" CB 5 3.376 -1.517 3.372 17873
240 1 40 "Average Difference" HN 4 0.315 -0.091 0.348 17873
241 1 41 "Average Difference" N 4 1.503 -0.474 1.647 17873
242 1 41 "Average Difference" HA 5 0.202 0.128 0.174 17873
243 1 41 "Average Difference" C 0 0.000 0.000 0.000 17873
244 1 41 "Average Difference" CA 5 0.559 0.164 0.598 17873
245 1 41 "Average Difference" CB 5 3.752 -1.754 3.708 17873
246 1 41 "Average Difference" HN 4 0.269 -0.147 0.260 17873
247 1 42 "Average Difference" N 4 1.826 -0.831 1.878 17873
248 1 42 "Average Difference" HA 5 0.309 0.200 0.263 17873
249 1 42 "Average Difference" C 0 0.000 0.000 0.000 17873
250 1 42 "Average Difference" CA 5 0.719 0.135 0.790 17873
251 1 42 "Average Difference" CB 5 3.607 -1.608 3.611 17873
252 1 42 "Average Difference" HN 4 0.301 -0.168 0.289 17873
253 1 43 "Average Difference" N 4 1.754 -1.126 1.553 17873
254 1 43 "Average Difference" HA 5 0.217 0.182 0.132 17873
255 1 43 "Average Difference" C 0 0.000 0.000 0.000 17873
256 1 43 "Average Difference" CA 5 0.983 0.660 0.814 17873
257 1 43 "Average Difference" CB 5 3.451 -1.499 3.476 17873
258 1 43 "Average Difference" HN 4 0.238 -0.158 0.206 17873
259 1 44 "Average Difference" N 4 2.212 0.402 2.512 17873
260 1 44 "Average Difference" HA 5 0.190 0.168 0.099 17873
261 1 44 "Average Difference" C 0 0.000 0.000 0.000 17873
262 1 44 "Average Difference" CA 5 1.080 0.491 1.075 17873
263 1 44 "Average Difference" CB 5 3.969 -2.122 3.749 17873
264 1 44 "Average Difference" HN 4 0.288 -0.142 0.289 17873
265 1 45 "Average Difference" N 4 2.192 -0.582 2.440 17873
266 1 45 "Average Difference" HA 5 0.173 0.090 0.165 17873
267 1 45 "Average Difference" C 0 0.000 0.000 0.000 17873
268 1 45 "Average Difference" CA 5 0.793 0.392 0.771 17873
269 1 45 "Average Difference" CB 5 3.818 -1.654 3.847 17873
270 1 45 "Average Difference" HN 4 0.326 -0.143 0.339 17873
271 1 46 "Average Difference" N 4 2.715 -1.087 2.873 17873
272 1 46 "Average Difference" HA 5 0.230 0.133 0.211 17873
273 1 46 "Average Difference" C 0 0.000 0.000 0.000 17873
274 1 46 "Average Difference" CA 5 0.872 0.395 0.868 17873
275 1 46 "Average Difference" CB 5 3.317 -1.370 3.377 17873
276 1 46 "Average Difference" HN 4 0.419 0.122 0.463 17873
277 1 47 "Average Difference" N 4 0.850 -0.848 0.075 17873
278 1 47 "Average Difference" HA 5 0.213 0.106 0.207 17873
279 1 47 "Average Difference" C 0 0.000 0.000 0.000 17873
280 1 47 "Average Difference" CA 5 1.069 0.522 1.043 17873
281 1 47 "Average Difference" CB 5 3.793 -2.093 3.536 17873
282 1 47 "Average Difference" HN 4 0.405 -0.329 0.274 17873
283 1 48 "Average Difference" N 4 2.150 1.389 1.895 17873
284 1 48 "Average Difference" HA 5 0.171 0.105 0.151 17873
285 1 48 "Average Difference" C 0 0.000 0.000 0.000 17873
286 1 48 "Average Difference" CA 5 0.702 0.401 0.644 17873
287 1 48 "Average Difference" CB 5 3.320 -1.633 3.232 17873
288 1 48 "Average Difference" HN 4 0.370 -0.070 0.419 17873
289 1 49 "Average Difference" N 4 2.295 0.963 2.405 17873
290 1 49 "Average Difference" HA 5 0.207 0.087 0.209 17873
291 1 49 "Average Difference" C 0 0.000 0.000 0.000 17873
292 1 49 "Average Difference" CA 5 0.838 0.567 0.689 17873
293 1 49 "Average Difference" CB 5 3.600 -2.140 3.236 17873
294 1 49 "Average Difference" HN 4 0.439 -0.189 0.458 17873
295 1 50 "Average Difference" N 4 1.224 -0.012 1.413 17873
296 1 50 "Average Difference" HA 5 0.205 0.113 0.191 17873
297 1 50 "Average Difference" C 0 0.000 0.000 0.000 17873
298 1 50 "Average Difference" CA 5 0.916 0.566 0.806 17873
299 1 50 "Average Difference" CB 5 3.514 -1.838 3.348 17873
300 1 50 "Average Difference" HN 4 0.274 -0.099 0.295 17873
301 1 51 "Average Difference" N 4 2.343 -0.658 2.596 17873
302 1 51 "Average Difference" HA 5 0.302 0.187 0.264 17873
303 1 51 "Average Difference" C 0 0.000 0.000 0.000 17873
304 1 51 "Average Difference" CA 5 0.564 0.119 0.617 17873
305 1 51 "Average Difference" CB 5 3.497 -1.622 3.464 17873
306 1 51 "Average Difference" HN 4 0.439 -0.120 0.488 17873
307 1 52 "Average Difference" N 4 2.528 -1.585 2.274 17873
308 1 52 "Average Difference" HA 5 0.223 0.071 0.236 17873
309 1 52 "Average Difference" C 0 0.000 0.000 0.000 17873
310 1 52 "Average Difference" CA 5 0.840 0.566 0.694 17873
311 1 52 "Average Difference" CB 5 3.608 -1.695 3.561 17873
312 1 52 "Average Difference" HN 4 0.561 0.318 0.534 17873
313 1 53 "Average Difference" N 4 3.539 1.897 3.450 17873
314 1 53 "Average Difference" HA 5 0.152 0.057 0.157 17873
315 1 53 "Average Difference" C 0 0.000 0.000 0.000 17873
316 1 53 "Average Difference" CA 5 0.728 0.642 0.384 17873
317 1 53 "Average Difference" CB 5 3.637 -1.967 3.421 17873
318 1 53 "Average Difference" HN 4 0.490 0.181 0.526 17873
319 1 54 "Average Difference" N 4 2.171 -1.781 1.432 17873
320 1 54 "Average Difference" HA 5 0.222 0.095 0.224 17873
321 1 54 "Average Difference" C 0 0.000 0.000 0.000 17873
322 1 54 "Average Difference" CA 5 1.202 0.413 1.262 17873
323 1 54 "Average Difference" CB 5 3.526 -1.465 3.586 17873
324 1 54 "Average Difference" HN 4 0.343 -0.108 0.375 17873
325 1 55 "Average Difference" N 4 2.587 1.427 2.492 17873
326 1 55 "Average Difference" HA 5 0.141 0.054 0.145 17873
327 1 55 "Average Difference" C 0 0.000 0.000 0.000 17873
328 1 55 "Average Difference" CA 5 0.705 0.581 0.447 17873
329 1 55 "Average Difference" CB 5 3.297 -1.740 3.131 17873
330 1 55 "Average Difference" HN 4 0.357 -0.002 0.412 17873
331 1 56 "Average Difference" N 4 1.784 -0.482 1.984 17873
332 1 56 "Average Difference" HA 5 0.256 0.156 0.226 17873
333 1 56 "Average Difference" C 0 0.000 0.000 0.000 17873
334 1 56 "Average Difference" CA 5 0.641 0.187 0.686 17873
335 1 56 "Average Difference" CB 5 3.730 -1.768 3.672 17873
336 1 56 "Average Difference" HN 4 0.390 -0.055 0.445 17873
337 1 57 "Average Difference" N 4 2.081 -0.303 2.377 17873
338 1 57 "Average Difference" HA 5 0.207 0.112 0.195 17873
339 1 57 "Average Difference" C 0 0.000 0.000 0.000 17873
340 1 57 "Average Difference" CA 5 0.648 0.166 0.700 17873
341 1 57 "Average Difference" CB 5 3.644 -1.724 3.589 17873
342 1 57 "Average Difference" HN 4 0.382 -0.093 0.428 17873
343 1 58 "Average Difference" N 4 1.400 -0.890 1.247 17873
344 1 58 "Average Difference" HA 5 0.273 0.211 0.195 17873
345 1 58 "Average Difference" C 0 0.000 0.000 0.000 17873
346 1 58 "Average Difference" CA 5 0.873 0.441 0.843 17873
347 1 58 "Average Difference" CB 5 3.938 -1.718 3.961 17873
348 1 58 "Average Difference" HN 4 0.381 -0.068 0.433 17873
349 1 59 "Average Difference" N 4 1.992 -0.619 2.186 17873
350 1 59 "Average Difference" HA 5 0.223 0.114 0.214 17873
351 1 59 "Average Difference" C 0 0.000 0.000 0.000 17873
352 1 59 "Average Difference" CA 5 0.709 0.119 0.781 17873
353 1 59 "Average Difference" CB 5 3.563 -1.724 3.486 17873
354 1 59 "Average Difference" HN 4 0.356 -0.215 0.327 17873
355 1 60 "Average Difference" N 4 1.742 -0.003 2.012 17873
356 1 60 "Average Difference" HA 5 0.154 0.100 0.131 17873
357 1 60 "Average Difference" C 0 0.000 0.000 0.000 17873
358 1 60 "Average Difference" CA 5 0.902 0.654 0.695 17873
359 1 60 "Average Difference" CB 5 3.656 -1.871 3.511 17873
360 1 60 "Average Difference" HN 4 0.367 -0.201 0.354 17873
361 1 61 "Average Difference" N 4 3.461 2.317 2.969 17873
362 1 61 "Average Difference" HA 5 0.156 0.080 0.150 17873
363 1 61 "Average Difference" C 0 0.000 0.000 0.000 17873
364 1 61 "Average Difference" CA 5 0.497 0.250 0.480 17873
365 1 61 "Average Difference" CB 5 4.175 -2.169 3.988 17873
366 1 61 "Average Difference" HN 4 0.351 -0.326 0.151 17873
367 1 62 "Average Difference" N 4 2.977 1.778 2.757 17873
368 1 62 "Average Difference" HA 5 0.149 0.085 0.137 17873
369 1 62 "Average Difference" C 0 0.000 0.000 0.000 17873
370 1 62 "Average Difference" CA 5 0.484 0.304 0.421 17873
371 1 62 "Average Difference" CB 5 3.900 -2.298 3.523 17873
372 1 62 "Average Difference" HN 4 0.336 -0.074 0.379 17873
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 17873
_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 3 113.400 113.400 114.997 -1.597 17873
2 1 . 1 1 3 3 THR HA H 3 4.420 4.420 4.588 -0.168 17873
3 1 . 1 1 3 3 THR CA C 3 61.800 61.800 62.515 -0.715 17873
4 1 . 1 1 3 3 THR CB C 3 69.860 69.860 69.328 0.532 17873
5 1 . 1 1 3 3 THR H H 3 8.280 8.280 8.314 -0.034 17873
6 1 . 1 1 4 4 THR N N 4 116.700 116.700 115.923 0.777 17873
7 1 . 1 1 4 4 THR HA H 4 4.500 4.500 4.701 -0.201 17873
8 1 . 1 1 4 4 THR CA C 4 61.590 61.590 61.380 0.210 17873
9 1 . 1 1 4 4 THR CB C 4 70.120 70.120 70.872 -0.752 17873
10 1 . 1 1 4 4 THR H H 4 8.130 8.130 8.059 0.071 17873
11 1 . 1 1 5 5 THR N N 5 116.100 116.100 113.557 2.543 17873
12 1 . 1 1 5 5 THR HA H 5 4.700 4.700 4.653 0.047 17873
13 1 . 1 1 5 5 THR CA C 5 58.610 58.610 59.611 -1.001 17873
14 1 . 1 1 5 5 THR CB C 5 77.640 77.640 69.669 7.971 17873
15 1 . 1 1 5 5 THR H H 5 8.510 8.510 7.965 0.545 17873
16 1 . 1 1 6 6 PRO HA H 6 4.450 4.450 4.372 0.078 17873
17 1 . 1 1 6 6 PRO CA C 6 62.650 62.650 63.461 -0.811 17873
18 1 . 1 1 6 6 PRO CB C 6 32.350 32.350 31.442 0.908 17873
19 1 . 1 1 7 7 LEU N N 7 121.500 121.500 122.251 -0.751 17873
20 1 . 1 1 7 7 LEU HA H 7 4.140 4.140 4.444 -0.304 17873
21 1 . 1 1 7 7 LEU CA C 7 55.480 55.480 55.087 0.393 17873
22 1 . 1 1 7 7 LEU CB C 7 42.640 42.640 42.686 -0.046 17873
23 1 . 1 1 7 7 LEU H H 7 8.210 8.210 8.283 -0.073 17873
stop_
save_