data_17619
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17619
_Entry.PDB_ID 2LCO
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 17619
_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 2 2 TRP N N 2 119.800 119.800 118.993 0.807 17619
2 1 1 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619
3 1 1 . 1 1 2 2 TRP H H 2 7.900 7.900 6.946 0.954 17619
4 1 1 . 1 1 3 3 TRP N N 3 117.500 117.500 120.140 -2.640 17619
5 1 1 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.578 -0.378 17619
6 1 1 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619
7 1 1 . 1 1 4 4 LEU N N 4 120.300 120.300 120.542 -0.242 17619
8 1 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.020 0.060 17619
9 1 1 . 1 1 4 4 LEU H H 4 7.350 7.350 8.067 -0.717 17619
10 1 1 . 1 1 5 5 ALA N N 5 117.400 117.400 121.432 -4.032 17619
11 1 1 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619
12 1 1 . 1 1 5 5 ALA H H 5 7.820 7.820 7.874 -0.054 17619
13 1 1 . 1 1 6 6 LEU N N 6 114.100 114.100 117.835 -3.735 17619
14 1 1 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.213 0.197 17619
15 1 1 . 1 1 6 6 LEU H H 6 7.780 7.780 8.126 -0.346 17619
16 1 1 . 1 1 7 7 ALA N N 7 119.700 119.700 122.831 -3.131 17619
17 1 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.211 0.189 17619
18 1 1 . 1 1 7 7 ALA H H 7 8.090 8.090 8.648 -0.558 17619
19 1 1 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.100 0.040 17619
20 1 1 . 1 1 9 9 ALA N N 9 117.300 117.300 118.389 -1.089 17619
21 1 1 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.197 -0.017 17619
22 1 1 . 1 1 9 9 ALA H H 9 7.250 7.250 8.253 -1.003 17619
23 1 1 . 1 1 10 10 LEU N N 10 117.000 117.000 120.007 -3.007 17619
24 1 1 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.468 -0.268 17619
25 1 1 . 1 1 10 10 LEU H H 10 8.190 8.190 7.996 0.194 17619
26 1 1 . 1 1 11 11 ALA N N 11 119.600 119.600 122.798 -3.198 17619
27 1 1 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.934 0.186 17619
28 1 1 . 1 1 11 11 ALA H H 11 8.230 8.230 8.154 0.076 17619
29 1 1 . 1 1 12 12 LEU N N 12 116.800 116.800 119.214 -2.414 17619
30 1 1 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.960 0.250 17619
31 1 1 . 1 1 12 12 LEU H H 12 8.100 8.100 7.480 0.620 17619
32 1 1 . 1 1 13 13 ALA N N 13 120.600 120.600 121.829 -1.229 17619
33 1 1 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.102 0.088 17619
34 1 1 . 1 1 13 13 ALA H H 13 8.320 8.320 7.610 0.710 17619
35 1 1 . 1 1 14 14 LEU N N 14 117.100 117.100 119.378 -2.278 17619
36 1 1 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.981 1.389 17619
37 1 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.253 0.227 17619
38 1 1 . 1 1 15 15 ALA N N 15 120.900 120.900 119.590 1.310 17619
39 1 1 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.994 0.366 17619
40 1 1 . 1 1 15 15 ALA H H 15 8.560 8.560 7.535 1.025 17619
41 1 1 . 1 1 16 16 LEU N N 16 117.800 117.800 119.433 -1.633 17619
42 1 1 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.096 0.164 17619
43 1 1 . 1 1 16 16 LEU H H 16 8.710 8.710 7.486 1.224 17619
44 1 1 . 1 1 17 17 TRP N N 17 121.300 121.300 117.741 3.559 17619
45 1 1 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.495 -0.025 17619
46 1 1 . 1 1 17 17 TRP H H 17 8.800 8.800 8.094 0.706 17619
47 1 1 . 1 1 18 18 TRP N N 18 120.700 120.700 122.245 -1.545 17619
48 1 1 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.159 -0.109 17619
49 1 1 . 1 1 18 18 TRP H H 18 9.140 9.140 7.076 2.064 17619
50 1 2 . 1 1 2 2 TRP N N 2 119.800 119.800 118.968 0.832 17619
51 1 2 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.643 -0.293 17619
52 1 2 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619
53 1 2 . 1 1 3 3 TRP N N 3 117.500 117.500 120.122 -2.622 17619
54 1 2 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.594 -0.394 17619
55 1 2 . 1 1 3 3 TRP H H 3 6.790 6.790 7.249 -0.459 17619
56 1 2 . 1 1 4 4 LEU N N 4 120.300 120.300 120.723 -0.423 17619
57 1 2 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.029 0.050 17619
58 1 2 . 1 1 4 4 LEU H H 4 7.350 7.350 8.099 -0.749 17619
59 1 2 . 1 1 5 5 ALA N N 5 117.400 117.400 121.900 -4.500 17619
60 1 2 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.108 0.152 17619
61 1 2 . 1 1 5 5 ALA H H 5 7.820 7.820 7.809 0.011 17619
62 1 2 . 1 1 6 6 LEU N N 6 114.100 114.100 115.864 -1.764 17619
63 1 2 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.520 -0.110 17619
64 1 2 . 1 1 6 6 LEU H H 6 7.780 7.780 8.135 -0.355 17619
65 1 2 . 1 1 7 7 ALA N N 7 119.700 119.700 122.834 -3.134 17619
66 1 2 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.371 0.029 17619
67 1 2 . 1 1 7 7 ALA H H 7 8.090 8.090 8.609 -0.519 17619
68 1 2 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.153 -0.013 17619
69 1 2 . 1 1 9 9 ALA N N 9 117.300 117.300 118.331 -1.031 17619
70 1 2 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.211 -0.031 17619
71 1 2 . 1 1 9 9 ALA H H 9 7.250 7.250 8.470 -1.220 17619
72 1 2 . 1 1 10 10 LEU N N 10 117.000 117.000 119.327 -2.327 17619
73 1 2 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.451 -0.251 17619
74 1 2 . 1 1 10 10 LEU H H 10 8.190 8.190 7.723 0.467 17619
75 1 2 . 1 1 11 11 ALA N N 11 119.600 119.600 122.468 -2.868 17619
76 1 2 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.946 0.174 17619
77 1 2 . 1 1 11 11 ALA H H 11 8.230 8.230 8.202 0.028 17619
78 1 2 . 1 1 12 12 LEU N N 12 116.800 116.800 119.116 -2.316 17619
79 1 2 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.957 0.253 17619
80 1 2 . 1 1 12 12 LEU H H 12 8.100 8.100 7.463 0.637 17619
81 1 2 . 1 1 13 13 ALA N N 13 120.600 120.600 121.837 -1.237 17619
82 1 2 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.086 0.104 17619
83 1 2 . 1 1 13 13 ALA H H 13 8.320 8.320 7.617 0.703 17619
84 1 2 . 1 1 14 14 LEU N N 14 117.100 117.100 119.380 -2.280 17619
85 1 2 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.976 1.394 17619
86 1 2 . 1 1 14 14 LEU H H 14 8.480 8.480 8.191 0.289 17619
87 1 2 . 1 1 15 15 ALA N N 15 120.900 120.900 119.592 1.308 17619
88 1 2 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.982 0.378 17619
89 1 2 . 1 1 15 15 ALA H H 15 8.560 8.560 7.548 1.012 17619
90 1 2 . 1 1 16 16 LEU N N 16 117.800 117.800 119.392 -1.592 17619
91 1 2 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.094 0.166 17619
92 1 2 . 1 1 16 16 LEU H H 16 8.710 8.710 7.493 1.217 17619
93 1 2 . 1 1 17 17 TRP N N 17 121.300 121.300 117.773 3.527 17619
94 1 2 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.490 -0.020 17619
95 1 2 . 1 1 17 17 TRP H H 17 8.800 8.800 8.066 0.734 17619
96 1 2 . 1 1 18 18 TRP N N 18 120.700 120.700 122.256 -1.556 17619
97 1 2 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.175 -0.125 17619
98 1 2 . 1 1 18 18 TRP H H 18 9.140 9.140 7.070 2.070 17619
99 1 3 . 1 1 2 2 TRP N N 2 119.800 119.800 118.992 0.808 17619
100 1 3 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.637 -0.287 17619
101 1 3 . 1 1 2 2 TRP H H 2 7.900 7.900 6.944 0.956 17619
102 1 3 . 1 1 3 3 TRP N N 3 117.500 117.500 120.134 -2.634 17619
103 1 3 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619
104 1 3 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619
105 1 3 . 1 1 4 4 LEU N N 4 120.300 120.300 120.578 -0.278 17619
106 1 3 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619
107 1 3 . 1 1 4 4 LEU H H 4 7.350 7.350 8.066 -0.716 17619
108 1 3 . 1 1 5 5 ALA N N 5 117.400 117.400 121.448 -4.048 17619
109 1 3 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619
110 1 3 . 1 1 5 5 ALA H H 5 7.820 7.820 7.860 -0.040 17619
111 1 3 . 1 1 6 6 LEU N N 6 114.100 114.100 117.748 -3.648 17619
112 1 3 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.229 0.181 17619
113 1 3 . 1 1 6 6 LEU H H 6 7.780 7.780 8.186 -0.406 17619
114 1 3 . 1 1 7 7 ALA N N 7 119.700 119.700 122.953 -3.253 17619
115 1 3 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.199 0.201 17619
116 1 3 . 1 1 7 7 ALA H H 7 8.090 8.090 8.625 -0.535 17619
117 1 3 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.084 0.056 17619
118 1 3 . 1 1 9 9 ALA N N 9 117.300 117.300 116.489 0.811 17619
119 1 3 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.240 -0.060 17619
120 1 3 . 1 1 9 9 ALA H H 9 7.250 7.250 8.294 -1.044 17619
121 1 3 . 1 1 10 10 LEU N N 10 117.000 117.000 120.319 -3.319 17619
122 1 3 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.464 -0.264 17619
123 1 3 . 1 1 10 10 LEU H H 10 8.190 8.190 7.792 0.398 17619
124 1 3 . 1 1 11 11 ALA N N 11 119.600 119.600 122.686 -3.086 17619
125 1 3 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.942 0.178 17619
126 1 3 . 1 1 11 11 ALA H H 11 8.230 8.230 8.565 -0.335 17619
127 1 3 . 1 1 12 12 LEU N N 12 116.800 116.800 119.250 -2.450 17619
128 1 3 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.969 0.241 17619
129 1 3 . 1 1 12 12 LEU H H 12 8.100 8.100 7.447 0.653 17619
130 1 3 . 1 1 13 13 ALA N N 13 120.600 120.600 121.805 -1.205 17619
131 1 3 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.135 0.055 17619
132 1 3 . 1 1 13 13 ALA H H 13 8.320 8.320 7.631 0.689 17619
133 1 3 . 1 1 14 14 LEU N N 14 117.100 117.100 119.386 -2.286 17619
134 1 3 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.011 1.359 17619
135 1 3 . 1 1 14 14 LEU H H 14 8.480 8.480 8.313 0.167 17619
136 1 3 . 1 1 15 15 ALA N N 15 120.900 120.900 119.783 1.117 17619
137 1 3 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.013 0.347 17619
138 1 3 . 1 1 15 15 ALA H H 15 8.560 8.560 7.502 1.058 17619
139 1 3 . 1 1 16 16 LEU N N 16 117.800 117.800 120.064 -2.264 17619
140 1 3 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.166 0.094 17619
141 1 3 . 1 1 16 16 LEU H H 16 8.710 8.710 7.530 1.180 17619
142 1 3 . 1 1 17 17 TRP N N 17 121.300 121.300 117.488 3.812 17619
143 1 3 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.491 -0.021 17619
144 1 3 . 1 1 17 17 TRP H H 17 8.800 8.800 8.052 0.748 17619
145 1 3 . 1 1 18 18 TRP N N 18 120.700 120.700 122.258 -1.558 17619
146 1 3 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.107 -0.057 17619
147 1 3 . 1 1 18 18 TRP H H 18 9.140 9.140 7.140 2.000 17619
148 1 4 . 1 1 2 2 TRP N N 2 119.800 119.800 118.996 0.804 17619
149 1 4 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619
150 1 4 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619
151 1 4 . 1 1 3 3 TRP N N 3 117.500 117.500 120.125 -2.625 17619
152 1 4 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619
153 1 4 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619
154 1 4 . 1 1 4 4 LEU N N 4 120.300 120.300 120.546 -0.246 17619
155 1 4 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619
156 1 4 . 1 1 4 4 LEU H H 4 7.350 7.350 8.063 -0.713 17619
157 1 4 . 1 1 5 5 ALA N N 5 117.400 117.400 121.427 -4.027 17619
158 1 4 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.058 0.202 17619
159 1 4 . 1 1 5 5 ALA H H 5 7.820 7.820 7.873 -0.053 17619
160 1 4 . 1 1 6 6 LEU N N 6 114.100 114.100 117.819 -3.719 17619
161 1 4 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.216 0.194 17619
162 1 4 . 1 1 6 6 LEU H H 6 7.780 7.780 8.109 -0.329 17619
163 1 4 . 1 1 7 7 ALA N N 7 119.700 119.700 122.750 -3.050 17619
164 1 4 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.241 0.159 17619
165 1 4 . 1 1 7 7 ALA H H 7 8.090 8.090 8.660 -0.570 17619
166 1 4 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.108 0.032 17619
167 1 4 . 1 1 9 9 ALA N N 9 117.300 117.300 118.426 -1.126 17619
168 1 4 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.196 -0.016 17619
169 1 4 . 1 1 9 9 ALA H H 9 7.250 7.250 8.272 -1.022 17619
170 1 4 . 1 1 10 10 LEU N N 10 117.000 117.000 119.027 -2.027 17619
171 1 4 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.507 -0.307 17619
172 1 4 . 1 1 10 10 LEU H H 10 8.190 8.190 8.237 -0.047 17619
173 1 4 . 1 1 11 11 ALA N N 11 119.600 119.600 122.830 -3.230 17619
174 1 4 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.934 0.186 17619
175 1 4 . 1 1 11 11 ALA H H 11 8.230 8.230 7.878 0.352 17619
176 1 4 . 1 1 12 12 LEU N N 12 116.800 116.800 118.905 -2.105 17619
177 1 4 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.975 0.235 17619
178 1 4 . 1 1 12 12 LEU H H 12 8.100 8.100 7.538 0.562 17619
179 1 4 . 1 1 13 13 ALA N N 13 120.600 120.600 121.291 -0.691 17619
180 1 4 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.116 0.074 17619
181 1 4 . 1 1 13 13 ALA H H 13 8.320 8.320 7.810 0.510 17619
182 1 4 . 1 1 14 14 LEU N N 14 117.100 117.100 119.660 -2.560 17619
183 1 4 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.025 1.345 17619
184 1 4 . 1 1 14 14 LEU H H 14 8.480 8.480 8.819 -0.339 17619
185 1 4 . 1 1 15 15 ALA N N 15 120.900 120.900 119.662 1.238 17619
186 1 4 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.009 0.351 17619
187 1 4 . 1 1 15 15 ALA H H 15 8.560 8.560 7.534 1.026 17619
188 1 4 . 1 1 16 16 LEU N N 16 117.800 117.800 119.261 -1.461 17619
189 1 4 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.175 0.085 17619
190 1 4 . 1 1 16 16 LEU H H 16 8.710 8.710 7.581 1.129 17619
191 1 4 . 1 1 17 17 TRP N N 17 121.300 121.300 117.674 3.626 17619
192 1 4 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.505 -0.035 17619
193 1 4 . 1 1 17 17 TRP H H 17 8.800 8.800 8.024 0.776 17619
194 1 4 . 1 1 18 18 TRP N N 18 120.700 120.700 122.288 -1.588 17619
195 1 4 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.099 -0.049 17619
196 1 4 . 1 1 18 18 TRP H H 18 9.140 9.140 7.195 1.945 17619
197 1 5 . 1 1 2 2 TRP N N 2 119.800 119.800 118.993 0.807 17619
198 1 5 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619
199 1 5 . 1 1 2 2 TRP H H 2 7.900 7.900 6.939 0.961 17619
200 1 5 . 1 1 3 3 TRP N N 3 117.500 117.500 120.138 -2.638 17619
201 1 5 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.578 -0.378 17619
202 1 5 . 1 1 3 3 TRP H H 3 6.790 6.790 7.241 -0.451 17619
203 1 5 . 1 1 4 4 LEU N N 4 120.300 120.300 120.534 -0.234 17619
204 1 5 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.023 0.057 17619
205 1 5 . 1 1 4 4 LEU H H 4 7.350 7.350 8.062 -0.712 17619
206 1 5 . 1 1 5 5 ALA N N 5 117.400 117.400 121.357 -3.957 17619
207 1 5 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.064 0.196 17619
208 1 5 . 1 1 5 5 ALA H H 5 7.820 7.820 7.852 -0.032 17619
209 1 5 . 1 1 6 6 LEU N N 6 114.100 114.100 117.733 -3.633 17619
210 1 5 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.262 0.148 17619
211 1 5 . 1 1 6 6 LEU H H 6 7.780 7.780 8.134 -0.354 17619
212 1 5 . 1 1 7 7 ALA N N 7 119.700 119.700 122.988 -3.288 17619
213 1 5 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.186 0.214 17619
214 1 5 . 1 1 7 7 ALA H H 7 8.090 8.090 8.630 -0.540 17619
215 1 5 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.087 0.053 17619
216 1 5 . 1 1 9 9 ALA N N 9 117.300 117.300 116.442 0.858 17619
217 1 5 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.248 -0.068 17619
218 1 5 . 1 1 9 9 ALA H H 9 7.250 7.250 8.335 -1.085 17619
219 1 5 . 1 1 10 10 LEU N N 10 117.000 117.000 120.362 -3.362 17619
220 1 5 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.470 -0.270 17619
221 1 5 . 1 1 10 10 LEU H H 10 8.190 8.190 7.747 0.443 17619
222 1 5 . 1 1 11 11 ALA N N 11 119.600 119.600 122.754 -3.154 17619
223 1 5 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.954 0.166 17619
224 1 5 . 1 1 11 11 ALA H H 11 8.230 8.230 8.539 -0.309 17619
225 1 5 . 1 1 12 12 LEU N N 12 116.800 116.800 120.261 -3.461 17619
226 1 5 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.009 0.201 17619
227 1 5 . 1 1 12 12 LEU H H 12 8.100 8.100 7.489 0.611 17619
228 1 5 . 1 1 13 13 ALA N N 13 120.600 120.600 121.486 -0.886 17619
229 1 5 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.118 0.072 17619
230 1 5 . 1 1 13 13 ALA H H 13 8.320 8.320 7.633 0.687 17619
231 1 5 . 1 1 14 14 LEU N N 14 117.100 117.100 119.401 -2.301 17619
232 1 5 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.006 1.364 17619
233 1 5 . 1 1 14 14 LEU H H 14 8.480 8.480 8.367 0.113 17619
234 1 5 . 1 1 15 15 ALA N N 15 120.900 120.900 119.647 1.253 17619
235 1 5 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.008 0.352 17619
236 1 5 . 1 1 15 15 ALA H H 15 8.560 8.560 7.476 1.084 17619
237 1 5 . 1 1 16 16 LEU N N 16 117.800 117.800 119.259 -1.459 17619
238 1 5 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.174 0.086 17619
239 1 5 . 1 1 16 16 LEU H H 16 8.710 8.710 7.640 1.070 17619
240 1 5 . 1 1 17 17 TRP N N 17 121.300 121.300 117.715 3.585 17619
241 1 5 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.504 -0.034 17619
242 1 5 . 1 1 17 17 TRP H H 17 8.800 8.800 8.037 0.763 17619
243 1 5 . 1 1 18 18 TRP N N 18 120.700 120.700 122.306 -1.606 17619
244 1 5 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.111 -0.061 17619
245 1 5 . 1 1 18 18 TRP H H 18 9.140 9.140 7.169 1.971 17619
246 1 6 . 1 1 2 2 TRP N N 2 119.800 119.800 118.999 0.801 17619
247 1 6 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.641 -0.291 17619
248 1 6 . 1 1 2 2 TRP H H 2 7.900 7.900 6.936 0.964 17619
249 1 6 . 1 1 3 3 TRP N N 3 117.500 117.500 120.162 -2.662 17619
250 1 6 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619
251 1 6 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619
252 1 6 . 1 1 4 4 LEU N N 4 120.300 120.300 120.579 -0.279 17619
253 1 6 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.020 0.060 17619
254 1 6 . 1 1 4 4 LEU H H 4 7.350 7.350 8.078 -0.728 17619
255 1 6 . 1 1 5 5 ALA N N 5 117.400 117.400 121.570 -4.170 17619
256 1 6 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.068 0.192 17619
257 1 6 . 1 1 5 5 ALA H H 5 7.820 7.820 7.840 -0.019 17619
258 1 6 . 1 1 6 6 LEU N N 6 114.100 114.100 117.357 -3.257 17619
259 1 6 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.253 0.157 17619
260 1 6 . 1 1 6 6 LEU H H 6 7.780 7.780 8.084 -0.304 17619
261 1 6 . 1 1 7 7 ALA N N 7 119.700 119.700 122.577 -2.877 17619
262 1 6 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.317 0.083 17619
263 1 6 . 1 1 7 7 ALA H H 7 8.090 8.090 8.499 -0.409 17619
264 1 6 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.136 0.004 17619
265 1 6 . 1 1 9 9 ALA N N 9 117.300 117.300 118.315 -1.015 17619
266 1 6 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.237 -0.057 17619
267 1 6 . 1 1 9 9 ALA H H 9 7.250 7.250 7.933 -0.683 17619
268 1 6 . 1 1 10 10 LEU N N 10 117.000 117.000 116.961 0.039 17619
269 1 6 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.351 -0.151 17619
270 1 6 . 1 1 10 10 LEU H H 10 8.190 8.190 8.580 -0.390 17619
271 1 6 . 1 1 11 11 ALA N N 11 119.600 119.600 123.391 -3.791 17619
272 1 6 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.916 0.204 17619
273 1 6 . 1 1 11 11 ALA H H 11 8.230 8.230 8.381 -0.151 17619
274 1 6 . 1 1 12 12 LEU N N 12 116.800 116.800 119.508 -2.708 17619
275 1 6 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.060 0.150 17619
276 1 6 . 1 1 12 12 LEU H H 12 8.100 8.100 7.382 0.718 17619
277 1 6 . 1 1 13 13 ALA N N 13 120.600 120.600 121.476 -0.876 17619
278 1 6 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.072 0.118 17619
279 1 6 . 1 1 13 13 ALA H H 13 8.320 8.320 8.031 0.289 17619
280 1 6 . 1 1 14 14 LEU N N 14 117.100 117.100 119.643 -2.543 17619
281 1 6 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.007 1.363 17619
282 1 6 . 1 1 14 14 LEU H H 14 8.480 8.480 8.786 -0.306 17619
283 1 6 . 1 1 15 15 ALA N N 15 120.900 120.900 119.568 1.332 17619
284 1 6 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.997 0.363 17619
285 1 6 . 1 1 15 15 ALA H H 15 8.560 8.560 7.470 1.090 17619
286 1 6 . 1 1 16 16 LEU N N 16 117.800 117.800 119.536 -1.736 17619
287 1 6 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.099 0.161 17619
288 1 6 . 1 1 16 16 LEU H H 16 8.710 8.710 7.561 1.149 17619
289 1 6 . 1 1 17 17 TRP N N 17 121.300 121.300 117.670 3.630 17619
290 1 6 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.502 -0.032 17619
291 1 6 . 1 1 17 17 TRP H H 17 8.800 8.800 8.020 0.780 17619
292 1 6 . 1 1 18 18 TRP N N 18 120.700 120.700 122.313 -1.613 17619
293 1 6 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.104 -0.054 17619
294 1 6 . 1 1 18 18 TRP H H 18 9.140 9.140 7.210 1.930 17619
295 1 7 . 1 1 2 2 TRP N N 2 119.800 119.800 118.995 0.805 17619
296 1 7 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.638 -0.288 17619
297 1 7 . 1 1 2 2 TRP H H 2 7.900 7.900 6.942 0.958 17619
298 1 7 . 1 1 3 3 TRP N N 3 117.500 117.500 120.147 -2.647 17619
299 1 7 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.579 -0.379 17619
300 1 7 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619
301 1 7 . 1 1 4 4 LEU N N 4 120.300 120.300 120.551 -0.251 17619
302 1 7 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619
303 1 7 . 1 1 4 4 LEU H H 4 7.350 7.350 8.069 -0.719 17619
304 1 7 . 1 1 5 5 ALA N N 5 117.400 117.400 121.423 -4.023 17619
305 1 7 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619
306 1 7 . 1 1 5 5 ALA H H 5 7.820 7.820 7.874 -0.054 17619
307 1 7 . 1 1 6 6 LEU N N 6 114.100 114.100 117.779 -3.679 17619
308 1 7 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.217 0.193 17619
309 1 7 . 1 1 6 6 LEU H H 6 7.780 7.780 8.121 -0.341 17619
310 1 7 . 1 1 7 7 ALA N N 7 119.700 119.700 122.757 -3.057 17619
311 1 7 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.239 0.161 17619
312 1 7 . 1 1 7 7 ALA H H 7 8.090 8.090 8.654 -0.564 17619
313 1 7 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.109 0.031 17619
314 1 7 . 1 1 9 9 ALA N N 9 117.300 117.300 118.395 -1.095 17619
315 1 7 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.197 -0.017 17619
316 1 7 . 1 1 9 9 ALA H H 9 7.250 7.250 8.278 -1.028 17619
317 1 7 . 1 1 10 10 LEU N N 10 117.000 117.000 119.115 -2.115 17619
318 1 7 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.485 -0.285 17619
319 1 7 . 1 1 10 10 LEU H H 10 8.190 8.190 8.161 0.029 17619
320 1 7 . 1 1 11 11 ALA N N 11 119.600 119.600 122.553 -2.953 17619
321 1 7 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.964 0.156 17619
322 1 7 . 1 1 11 11 ALA H H 11 8.230 8.230 7.806 0.424 17619
323 1 7 . 1 1 12 12 LEU N N 12 116.800 116.800 120.290 -3.490 17619
324 1 7 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.063 0.147 17619
325 1 7 . 1 1 12 12 LEU H H 12 8.100 8.100 7.451 0.649 17619
326 1 7 . 1 1 13 13 ALA N N 13 120.600 120.600 121.288 -0.688 17619
327 1 7 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.090 0.101 17619
328 1 7 . 1 1 13 13 ALA H H 13 8.320 8.320 7.672 0.648 17619
329 1 7 . 1 1 14 14 LEU N N 14 117.100 117.100 119.359 -2.259 17619
330 1 7 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.994 1.376 17619
331 1 7 . 1 1 14 14 LEU H H 14 8.480 8.480 8.310 0.170 17619
332 1 7 . 1 1 15 15 ALA N N 15 120.900 120.900 119.775 1.125 17619
333 1 7 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.000 0.360 17619
334 1 7 . 1 1 15 15 ALA H H 15 8.560 8.560 7.471 1.089 17619
335 1 7 . 1 1 16 16 LEU N N 16 117.800 117.800 120.026 -2.226 17619
336 1 7 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.154 0.106 17619
337 1 7 . 1 1 16 16 LEU H H 16 8.710 8.710 7.525 1.185 17619
338 1 7 . 1 1 17 17 TRP N N 17 121.300 121.300 117.495 3.805 17619
339 1 7 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.487 -0.017 17619
340 1 7 . 1 1 17 17 TRP H H 17 8.800 8.800 7.999 0.801 17619
341 1 7 . 1 1 18 18 TRP N N 18 120.700 120.700 122.259 -1.559 17619
342 1 7 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.131 -0.081 17619
343 1 7 . 1 1 18 18 TRP H H 18 9.140 9.140 7.096 2.044 17619
344 1 8 . 1 1 2 2 TRP N N 2 119.800 119.800 118.998 0.802 17619
345 1 8 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.640 -0.290 17619
346 1 8 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619
347 1 8 . 1 1 3 3 TRP N N 3 117.500 117.500 120.125 -2.625 17619
348 1 8 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.581 -0.381 17619
349 1 8 . 1 1 3 3 TRP H H 3 6.790 6.790 7.241 -0.451 17619
350 1 8 . 1 1 4 4 LEU N N 4 120.300 120.300 120.529 -0.229 17619
351 1 8 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.022 0.058 17619
352 1 8 . 1 1 4 4 LEU H H 4 7.350 7.350 8.066 -0.716 17619
353 1 8 . 1 1 5 5 ALA N N 5 117.400 117.400 121.432 -4.032 17619
354 1 8 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.059 0.201 17619
355 1 8 . 1 1 5 5 ALA H H 5 7.820 7.820 7.879 -0.059 17619
356 1 8 . 1 1 6 6 LEU N N 6 114.100 114.100 117.819 -3.719 17619
357 1 8 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.213 0.198 17619
358 1 8 . 1 1 6 6 LEU H H 6 7.780 7.780 8.084 -0.304 17619
359 1 8 . 1 1 7 7 ALA N N 7 119.700 119.700 122.695 -2.995 17619
360 1 8 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.250 0.150 17619
361 1 8 . 1 1 7 7 ALA H H 7 8.090 8.090 8.662 -0.572 17619
362 1 8 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.107 0.033 17619
363 1 8 . 1 1 9 9 ALA N N 9 117.300 117.300 118.449 -1.149 17619
364 1 8 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.190 -0.010 17619
365 1 8 . 1 1 9 9 ALA H H 9 7.250 7.250 8.259 -1.009 17619
366 1 8 . 1 1 10 10 LEU N N 10 117.000 117.000 119.050 -2.050 17619
367 1 8 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.498 -0.298 17619
368 1 8 . 1 1 10 10 LEU H H 10 8.190 8.190 8.285 -0.095 17619
369 1 8 . 1 1 11 11 ALA N N 11 119.600 119.600 123.063 -3.463 17619
370 1 8 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.926 0.194 17619
371 1 8 . 1 1 11 11 ALA H H 11 8.230 8.230 7.995 0.235 17619
372 1 8 . 1 1 12 12 LEU N N 12 116.800 116.800 119.330 -2.530 17619
373 1 8 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.994 0.216 17619
374 1 8 . 1 1 12 12 LEU H H 12 8.100 8.100 7.671 0.429 17619
375 1 8 . 1 1 13 13 ALA N N 13 120.600 120.600 121.361 -0.761 17619
376 1 8 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.038 0.152 17619
377 1 8 . 1 1 13 13 ALA H H 13 8.320 8.320 7.976 0.344 17619
378 1 8 . 1 1 14 14 LEU N N 14 117.100 117.100 119.606 -2.506 17619
379 1 8 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.996 1.374 17619
380 1 8 . 1 1 14 14 LEU H H 14 8.480 8.480 8.793 -0.313 17619
381 1 8 . 1 1 15 15 ALA N N 15 120.900 120.900 119.592 1.308 17619
382 1 8 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.984 0.376 17619
383 1 8 . 1 1 15 15 ALA H H 15 8.560 8.560 7.555 1.005 17619
384 1 8 . 1 1 16 16 LEU N N 16 117.800 117.800 119.479 -1.679 17619
385 1 8 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.086 0.174 17619
386 1 8 . 1 1 16 16 LEU H H 16 8.710 8.710 7.463 1.247 17619
387 1 8 . 1 1 17 17 TRP N N 17 121.300 121.300 117.710 3.590 17619
388 1 8 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.492 -0.022 17619
389 1 8 . 1 1 17 17 TRP H H 17 8.800 8.800 7.998 0.802 17619
390 1 8 . 1 1 18 18 TRP N N 18 120.700 120.700 122.297 -1.597 17619
391 1 8 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.179 -0.129 17619
392 1 8 . 1 1 18 18 TRP H H 18 9.140 9.140 7.083 2.057 17619
393 1 9 . 1 1 2 2 TRP N N 2 119.800 119.800 119.000 0.800 17619
394 1 9 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619
395 1 9 . 1 1 2 2 TRP H H 2 7.900 7.900 6.938 0.962 17619
396 1 9 . 1 1 3 3 TRP N N 3 117.500 117.500 120.128 -2.628 17619
397 1 9 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.579 -0.379 17619
398 1 9 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619
399 1 9 . 1 1 4 4 LEU N N 4 120.300 120.300 120.537 -0.237 17619
400 1 9 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.024 0.056 17619
401 1 9 . 1 1 4 4 LEU H H 4 7.350 7.350 8.064 -0.714 17619
402 1 9 . 1 1 5 5 ALA N N 5 117.400 117.400 121.398 -3.998 17619
403 1 9 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.062 0.198 17619
404 1 9 . 1 1 5 5 ALA H H 5 7.820 7.820 7.866 -0.046 17619
405 1 9 . 1 1 6 6 LEU N N 6 114.100 114.100 117.758 -3.658 17619
406 1 9 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.235 0.175 17619
407 1 9 . 1 1 6 6 LEU H H 6 7.780 7.780 8.111 -0.331 17619
408 1 9 . 1 1 7 7 ALA N N 7 119.700 119.700 122.802 -3.102 17619
409 1 9 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.231 0.169 17619
410 1 9 . 1 1 7 7 ALA H H 7 8.090 8.090 8.651 -0.561 17619
411 1 9 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.112 0.028 17619
412 1 9 . 1 1 9 9 ALA N N 9 117.300 117.300 118.359 -1.059 17619
413 1 9 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.203 -0.023 17619
414 1 9 . 1 1 9 9 ALA H H 9 7.250 7.250 8.309 -1.059 17619
415 1 9 . 1 1 10 10 LEU N N 10 117.000 117.000 119.081 -2.081 17619
416 1 9 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.490 -0.290 17619
417 1 9 . 1 1 10 10 LEU H H 10 8.190 8.190 8.128 0.062 17619
418 1 9 . 1 1 11 11 ALA N N 11 119.600 119.600 122.625 -3.025 17619
419 1 9 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.949 0.171 17619
420 1 9 . 1 1 11 11 ALA H H 11 8.230 8.230 7.761 0.469 17619
421 1 9 . 1 1 12 12 LEU N N 12 116.800 116.800 119.805 -3.005 17619
422 1 9 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.024 0.186 17619
423 1 9 . 1 1 12 12 LEU H H 12 8.100 8.100 7.589 0.511 17619
424 1 9 . 1 1 13 13 ALA N N 13 120.600 120.600 121.659 -1.059 17619
425 1 9 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.090 0.100 17619
426 1 9 . 1 1 13 13 ALA H H 13 8.320 8.320 7.704 0.616 17619
427 1 9 . 1 1 14 14 LEU N N 14 117.100 117.100 119.352 -2.252 17619
428 1 9 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.002 1.368 17619
429 1 9 . 1 1 14 14 LEU H H 14 8.480 8.480 8.311 0.169 17619
430 1 9 . 1 1 15 15 ALA N N 15 120.900 120.900 119.803 1.097 17619
431 1 9 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.007 0.353 17619
432 1 9 . 1 1 15 15 ALA H H 15 8.560 8.560 7.468 1.092 17619
433 1 9 . 1 1 16 16 LEU N N 16 117.800 117.800 120.066 -2.266 17619
434 1 9 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.162 0.098 17619
435 1 9 . 1 1 16 16 LEU H H 16 8.710 8.710 7.565 1.145 17619
436 1 9 . 1 1 17 17 TRP N N 17 121.300 121.300 117.501 3.799 17619
437 1 9 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.490 -0.020 17619
438 1 9 . 1 1 17 17 TRP H H 17 8.800 8.800 7.998 0.802 17619
439 1 9 . 1 1 18 18 TRP N N 18 120.700 120.700 122.269 -1.569 17619
440 1 9 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.113 -0.063 17619
441 1 9 . 1 1 18 18 TRP H H 18 9.140 9.140 7.117 2.023 17619
442 1 10 . 1 1 2 2 TRP N N 2 119.800 119.800 118.963 0.837 17619
443 1 10 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.641 -0.291 17619
444 1 10 . 1 1 2 2 TRP H H 2 7.900 7.900 6.931 0.969 17619
445 1 10 . 1 1 3 3 TRP N N 3 117.500 117.500 120.113 -2.613 17619
446 1 10 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.594 -0.394 17619
447 1 10 . 1 1 3 3 TRP H H 3 6.790 6.790 7.250 -0.460 17619
448 1 10 . 1 1 4 4 LEU N N 4 120.300 120.300 120.721 -0.421 17619
449 1 10 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.029 0.051 17619
450 1 10 . 1 1 4 4 LEU H H 4 7.350 7.350 8.096 -0.746 17619
451 1 10 . 1 1 5 5 ALA N N 5 117.400 117.400 121.934 -4.534 17619
452 1 10 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.108 0.152 17619
453 1 10 . 1 1 5 5 ALA H H 5 7.820 7.820 7.801 0.019 17619
454 1 10 . 1 1 6 6 LEU N N 6 114.100 114.100 115.960 -1.860 17619
455 1 10 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.538 -0.128 17619
456 1 10 . 1 1 6 6 LEU H H 6 7.780 7.780 8.155 -0.375 17619
457 1 10 . 1 1 7 7 ALA N N 7 119.700 119.700 123.270 -3.570 17619
458 1 10 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.333 0.067 17619
459 1 10 . 1 1 7 7 ALA H H 7 8.090 8.090 8.662 -0.572 17619
460 1 10 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.136 0.004 17619
461 1 10 . 1 1 9 9 ALA N N 9 117.300 117.300 118.430 -1.130 17619
462 1 10 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.216 -0.036 17619
463 1 10 . 1 1 9 9 ALA H H 9 7.250 7.250 8.460 -1.210 17619
464 1 10 . 1 1 10 10 LEU N N 10 117.000 117.000 119.910 -2.910 17619
465 1 10 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.480 -0.280 17619
466 1 10 . 1 1 10 10 LEU H H 10 8.190 8.190 7.572 0.618 17619
467 1 10 . 1 1 11 11 ALA N N 11 119.600 119.600 122.894 -3.294 17619
468 1 10 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.948 0.172 17619
469 1 10 . 1 1 11 11 ALA H H 11 8.230 8.230 8.111 0.119 17619
470 1 10 . 1 1 12 12 LEU N N 12 116.800 116.800 120.160 -3.360 17619
471 1 10 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.997 0.213 17619
472 1 10 . 1 1 12 12 LEU H H 12 8.100 8.100 7.534 0.566 17619
473 1 10 . 1 1 13 13 ALA N N 13 120.600 120.600 121.565 -0.965 17619
474 1 10 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.087 0.103 17619
475 1 10 . 1 1 13 13 ALA H H 13 8.320 8.320 7.605 0.715 17619
476 1 10 . 1 1 14 14 LEU N N 14 117.100 117.100 119.347 -2.247 17619
477 1 10 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.984 1.386 17619
478 1 10 . 1 1 14 14 LEU H H 14 8.480 8.480 8.263 0.217 17619
479 1 10 . 1 1 15 15 ALA N N 15 120.900 120.900 119.874 1.026 17619
480 1 10 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.995 0.365 17619
481 1 10 . 1 1 15 15 ALA H H 15 8.560 8.560 7.525 1.035 17619
482 1 10 . 1 1 16 16 LEU N N 16 117.800 117.800 120.005 -2.205 17619
483 1 10 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.149 0.111 17619
484 1 10 . 1 1 16 16 LEU H H 16 8.710 8.710 7.344 1.366 17619
485 1 10 . 1 1 17 17 TRP N N 17 121.300 121.300 117.479 3.821 17619
486 1 10 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.482 -0.012 17619
487 1 10 . 1 1 17 17 TRP H H 17 8.800 8.800 8.066 0.734 17619
488 1 10 . 1 1 18 18 TRP N N 18 120.700 120.700 122.243 -1.543 17619
489 1 10 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.169 -0.119 17619
490 1 10 . 1 1 18 18 TRP H H 18 9.140 9.140 7.041 2.099 17619
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 16 2.501 1.531 2.043 17619
2 1 1 "Average Difference" HA 17 0.393 -0.120 0.386 17619
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17619
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17619
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17619
6 1 1 "Average Difference" HN 16 0.843 -0.292 0.816 17619
7 1 2 "Average Difference" N 16 2.330 1.374 1.943 17619
8 1 2 "Average Difference" HA 17 0.389 -0.086 0.391 17619
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17619
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17619
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17619
12 1 2 "Average Difference" HN 16 0.870 -0.302 0.843 17619
13 1 3 "Average Difference" N 16 2.564 1.468 2.171 17619
14 1 3 "Average Difference" HA 17 0.383 -0.112 0.378 17619
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17619
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17619
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17619
18 1 3 "Average Difference" HN 16 0.846 -0.270 0.828 17619
19 1 4 "Average Difference" N 16 2.418 1.424 2.018 17619
20 1 4 "Average Difference" HA 17 0.381 -0.109 0.377 17619
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17619
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17619
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17619
24 1 4 "Average Difference" HN 16 0.816 -0.234 0.807 17619
25 1 5 "Average Difference" N 16 2.580 1.467 2.192 17619
26 1 5 "Average Difference" HA 17 0.383 -0.106 0.379 17619
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17619
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17619
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17619
30 1 5 "Average Difference" HN 16 0.835 -0.264 0.819 17619
31 1 6 "Average Difference" N 16 2.432 1.358 2.084 17619
32 1 6 "Average Difference" HA 17 0.378 -0.111 0.372 17619
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17619
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17619
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17619
36 1 6 "Average Difference" HN 16 0.795 -0.218 0.789 17619
37 1 7 "Average Difference" N 16 2.526 1.519 2.084 17619
38 1 7 "Average Difference" HA 17 0.385 -0.107 0.381 17619
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17619
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17619
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17619
42 1 7 "Average Difference" HN 16 0.851 -0.303 0.822 17619
43 1 8 "Average Difference" N 16 2.467 1.477 2.041 17619
44 1 8 "Average Difference" HA 17 0.392 -0.117 0.385 17619
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17619
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17619
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17619
48 1 8 "Average Difference" HN 16 0.829 -0.223 0.825 17619
49 1 9 "Average Difference" N 16 2.496 1.515 2.048 17619
50 1 9 "Average Difference" HA 17 0.383 -0.108 0.379 17619
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17619
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17619
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17619
54 1 9 "Average Difference" HN 16 0.841 -0.293 0.814 17619
55 1 10 "Average Difference" N 16 2.565 1.560 2.102 17619
56 1 10 "Average Difference" HA 17 0.386 -0.080 0.389 17619
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17619
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17619
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17619
60 1 10 "Average Difference" HN 16 0.894 -0.318 0.863 17619
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 17619
_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 2 2 TRP N N 2 119.800 119.800 118.990 0.810 17619
2 1 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.640 -0.290 17619
3 1 . 1 1 2 2 TRP H H 2 7.900 7.900 6.938 0.962 17619
4 1 . 1 1 3 3 TRP N N 3 117.500 117.500 120.133 -2.633 17619
5 1 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.582 -0.382 17619
6 1 . 1 1 3 3 TRP H H 3 6.790 6.790 7.243 -0.453 17619
7 1 . 1 1 4 4 LEU N N 4 120.300 120.300 120.584 -0.284 17619
8 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.023 0.057 17619
9 1 . 1 1 4 4 LEU H H 4 7.350 7.350 8.073 -0.723 17619
10 1 . 1 1 5 5 ALA N N 5 117.400 117.400 121.532 -4.132 17619
11 1 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.070 0.190 17619
12 1 . 1 1 5 5 ALA H H 5 7.820 7.820 7.853 -0.033 17619
13 1 . 1 1 6 6 LEU N N 6 114.100 114.100 117.367 -3.267 17619
14 1 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.290 0.121 17619
15 1 . 1 1 6 6 LEU H H 6 7.780 7.780 8.125 -0.344 17619
16 1 . 1 1 7 7 ALA N N 7 119.700 119.700 122.846 -3.146 17619
17 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.258 0.142 17619
18 1 . 1 1 7 7 ALA H H 7 8.090 8.090 8.630 -0.540 17619
19 1 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.113 0.027 17619
20 1 . 1 1 9 9 ALA N N 9 117.300 117.300 118.003 -0.702 17619
21 1 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.214 -0.034 17619
22 1 . 1 1 9 9 ALA H H 9 7.250 7.250 8.286 -1.036 17619
23 1 . 1 1 10 10 LEU N N 10 117.000 117.000 119.316 -2.316 17619
24 1 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.466 -0.266 17619
25 1 . 1 1 10 10 LEU H H 10 8.190 8.190 8.022 0.168 17619
26 1 . 1 1 11 11 ALA N N 11 119.600 119.600 122.806 -3.206 17619
27 1 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.941 0.179 17619
28 1 . 1 1 11 11 ALA H H 11 8.230 8.230 8.139 0.091 17619
29 1 . 1 1 12 12 LEU N N 12 116.800 116.800 119.584 -2.784 17619
30 1 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.001 0.209 17619
31 1 . 1 1 12 12 LEU H H 12 8.100 8.100 7.504 0.596 17619
32 1 . 1 1 13 13 ALA N N 13 120.600 120.600 121.560 -0.960 17619
33 1 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.093 0.097 17619
34 1 . 1 1 13 13 ALA H H 13 8.320 8.320 7.729 0.591 17619
35 1 . 1 1 14 14 LEU N N 14 117.100 117.100 119.451 -2.351 17619
36 1 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.998 1.372 17619
37 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.441 0.039 17619
38 1 . 1 1 15 15 ALA N N 15 120.900 120.900 119.689 1.211 17619
39 1 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.999 0.361 17619
40 1 . 1 1 15 15 ALA H H 15 8.560 8.560 7.508 1.052 17619
41 1 . 1 1 16 16 LEU N N 16 117.800 117.800 119.652 -1.852 17619
42 1 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.136 0.125 17619
43 1 . 1 1 16 16 LEU H H 16 8.710 8.710 7.519 1.191 17619
44 1 . 1 1 17 17 TRP N N 17 121.300 121.300 117.625 3.675 17619
45 1 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.494 -0.024 17619
46 1 . 1 1 17 17 TRP H H 17 8.800 8.800 8.035 0.765 17619
47 1 . 1 1 18 18 TRP N N 18 120.700 120.700 122.273 -1.573 17619
48 1 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.135 -0.085 17619
49 1 . 1 1 18 18 TRP H H 18 9.140 9.140 7.120 2.020 17619
stop_
save_