data_17618
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17618
_Entry.PDB_ID 2LCN
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 17618
_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 2 119.500 119.500 122.588 -3.088 17618
2 1 1 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.539 -0.119 17618
3 1 1 . 1 1 2 2 TRP H H 2 8.080 8.080 8.464 -0.384 17618
4 1 1 . 1 1 3 3 TRP N N 3 117.300 117.300 119.236 -1.936 17618
5 1 1 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.624 0.736 17618
6 1 1 . 1 1 3 3 TRP H H 3 7.180 7.180 8.461 -1.281 17618
7 1 1 . 1 1 4 4 LEU N N 4 120.600 120.600 122.132 -1.532 17618
8 1 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.063 1.017 17618
9 1 1 . 1 1 4 4 LEU H H 4 7.430 7.430 6.927 0.503 17618
10 1 1 . 1 1 5 5 ALA N N 5 117.300 117.300 120.464 -3.164 17618
11 1 1 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.968 0.202 17618
12 1 1 . 1 1 5 5 ALA H H 5 7.910 7.910 7.626 0.284 17618
13 1 1 . 1 1 6 6 LEU N N 6 115.100 115.100 116.901 -1.801 17618
14 1 1 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.197 0.073 17618
15 1 1 . 1 1 6 6 LEU H H 6 7.810 7.810 7.134 0.676 17618
16 1 1 . 1 1 7 7 ALA N N 7 113.400 113.400 122.259 -8.859 17618
17 1 1 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.189 0.121 17618
18 1 1 . 1 1 7 7 ALA H H 7 7.890 7.890 7.288 0.602 17618
19 1 1 . 1 1 8 8 LEU N N 8 118.300 118.300 117.059 1.241 17618
20 1 1 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.115 0.305 17618
21 1 1 . 1 1 8 8 LEU H H 8 7.830 7.830 7.537 0.293 17618
22 1 1 . 1 1 9 9 ALA N N 9 120.500 120.500 118.380 2.120 17618
23 1 1 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.572 -0.172 17618
24 1 1 . 1 1 9 9 ALA H H 9 8.140 8.140 7.319 0.821 17618
25 1 1 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.403 -0.283 17618
26 1 1 . 1 1 11 11 ALA N N 11 117.000 117.000 121.579 -4.579 17618
27 1 1 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.089 0.111 17618
28 1 1 . 1 1 11 11 ALA H H 11 7.350 7.350 8.428 -1.078 17618
29 1 1 . 1 1 12 12 LEU N N 12 117.000 117.000 119.993 -2.993 17618
30 1 1 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.952 0.278 17618
31 1 1 . 1 1 12 12 LEU H H 12 8.270 8.270 7.842 0.428 17618
32 1 1 . 1 1 13 13 ALA N N 13 119.800 119.800 120.852 -1.052 17618
33 1 1 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.066 0.154 17618
34 1 1 . 1 1 13 13 ALA H H 13 8.440 8.440 7.847 0.593 17618
35 1 1 . 1 1 14 14 LEU N N 14 117.300 117.300 120.044 -2.744 17618
36 1 1 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.346 0.064 17618
37 1 1 . 1 1 14 14 LEU H H 14 8.260 8.260 7.421 0.839 17618
38 1 1 . 1 1 15 15 ALA N N 15 121.100 121.100 122.148 -1.048 17618
39 1 1 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.349 0.041 17618
40 1 1 . 1 1 15 15 ALA H H 15 8.490 8.490 8.807 -0.317 17618
41 1 1 . 1 1 16 16 LEU N N 16 117.300 117.300 119.153 -1.853 17618
42 1 1 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.123 0.157 17618
43 1 1 . 1 1 16 16 LEU H H 16 8.610 8.610 8.686 -0.076 17618
44 1 1 . 1 1 17 17 TRP N N 17 121.300 121.300 120.103 1.197 17618
45 1 1 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.419 0.031 17618
46 1 1 . 1 1 17 17 TRP H H 17 8.820 8.820 7.871 0.949 17618
47 1 1 . 1 1 18 18 TRP N N 18 120.600 120.600 122.660 -2.060 17618
48 1 1 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.202 0.808 17618
49 1 1 . 1 1 18 18 TRP H H 18 9.140 9.140 8.611 0.529 17618
50 1 2 . 1 1 2 2 TRP N N 2 119.500 119.500 122.372 -2.872 17618
51 1 2 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.615 -0.195 17618
52 1 2 . 1 1 2 2 TRP H H 2 8.080 8.080 8.470 -0.390 17618
53 1 2 . 1 1 3 3 TRP N N 3 117.300 117.300 119.142 -1.842 17618
54 1 2 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.639 0.721 17618
55 1 2 . 1 1 3 3 TRP H H 3 7.180 7.180 8.404 -1.224 17618
56 1 2 . 1 1 4 4 LEU N N 4 120.600 120.600 123.071 -2.471 17618
57 1 2 . 1 1 4 4 LEU HA H 4 4.080 4.080 2.850 1.230 17618
58 1 2 . 1 1 4 4 LEU H H 4 7.430 7.430 6.860 0.570 17618
59 1 2 . 1 1 5 5 ALA N N 5 117.300 117.300 120.526 -3.226 17618
60 1 2 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.813 0.357 17618
61 1 2 . 1 1 5 5 ALA H H 5 7.910 7.910 7.408 0.502 17618
62 1 2 . 1 1 6 6 LEU N N 6 115.100 115.100 117.478 -2.378 17618
63 1 2 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.014 0.256 17618
64 1 2 . 1 1 6 6 LEU H H 6 7.810 7.810 7.352 0.458 17618
65 1 2 . 1 1 7 7 ALA N N 7 113.400 113.400 119.231 -5.831 17618
66 1 2 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.255 0.055 17618
67 1 2 . 1 1 7 7 ALA H H 7 7.890 7.890 7.649 0.241 17618
68 1 2 . 1 1 8 8 LEU N N 8 118.300 118.300 117.128 1.172 17618
69 1 2 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.413 0.007 17618
70 1 2 . 1 1 8 8 LEU H H 8 7.830 7.830 7.617 0.213 17618
71 1 2 . 1 1 9 9 ALA N N 9 120.500 120.500 119.723 0.777 17618
72 1 2 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.691 -0.291 17618
73 1 2 . 1 1 9 9 ALA H H 9 8.140 8.140 7.506 0.634 17618
74 1 2 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.589 -0.469 17618
75 1 2 . 1 1 11 11 ALA N N 11 117.000 117.000 124.190 -7.190 17618
76 1 2 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.102 0.098 17618
77 1 2 . 1 1 11 11 ALA H H 11 7.350 7.350 8.503 -1.153 17618
78 1 2 . 1 1 12 12 LEU N N 12 117.000 117.000 120.030 -3.030 17618
79 1 2 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.948 0.282 17618
80 1 2 . 1 1 12 12 LEU H H 12 8.270 8.270 7.813 0.457 17618
81 1 2 . 1 1 13 13 ALA N N 13 119.800 119.800 120.687 -0.887 17618
82 1 2 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.077 0.143 17618
83 1 2 . 1 1 13 13 ALA H H 13 8.440 8.440 7.881 0.559 17618
84 1 2 . 1 1 14 14 LEU N N 14 117.300 117.300 119.883 -2.583 17618
85 1 2 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.374 0.036 17618
86 1 2 . 1 1 14 14 LEU H H 14 8.260 8.260 7.504 0.756 17618
87 1 2 . 1 1 15 15 ALA N N 15 121.100 121.100 122.260 -1.160 17618
88 1 2 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.357 0.033 17618
89 1 2 . 1 1 15 15 ALA H H 15 8.490 8.490 8.757 -0.267 17618
90 1 2 . 1 1 16 16 LEU N N 16 117.300 117.300 119.122 -1.822 17618
91 1 2 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.124 0.156 17618
92 1 2 . 1 1 16 16 LEU H H 16 8.610 8.610 8.690 -0.080 17618
93 1 2 . 1 1 17 17 TRP N N 17 121.300 121.300 120.103 1.197 17618
94 1 2 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.421 0.029 17618
95 1 2 . 1 1 17 17 TRP H H 17 8.820 8.820 7.857 0.963 17618
96 1 2 . 1 1 18 18 TRP N N 18 120.600 120.600 122.667 -2.067 17618
97 1 2 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.185 0.825 17618
98 1 2 . 1 1 18 18 TRP H H 18 9.140 9.140 8.608 0.532 17618
99 1 3 . 1 1 2 2 TRP N N 2 119.500 119.500 122.436 -2.936 17618
100 1 3 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.588 -0.168 17618
101 1 3 . 1 1 2 2 TRP H H 2 8.080 8.080 8.476 -0.396 17618
102 1 3 . 1 1 3 3 TRP N N 3 117.300 117.300 119.117 -1.817 17618
103 1 3 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.716 0.644 17618
104 1 3 . 1 1 3 3 TRP H H 3 7.180 7.180 8.498 -1.318 17618
105 1 3 . 1 1 4 4 LEU N N 4 120.600 120.600 121.784 -1.184 17618
106 1 3 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.089 0.991 17618
107 1 3 . 1 1 4 4 LEU H H 4 7.430 7.430 6.848 0.582 17618
108 1 3 . 1 1 5 5 ALA N N 5 117.300 117.300 120.741 -3.441 17618
109 1 3 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.955 0.215 17618
110 1 3 . 1 1 5 5 ALA H H 5 7.910 7.910 7.563 0.347 17618
111 1 3 . 1 1 6 6 LEU N N 6 115.100 115.100 117.170 -2.070 17618
112 1 3 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.066 0.204 17618
113 1 3 . 1 1 6 6 LEU H H 6 7.810 7.810 7.265 0.545 17618
114 1 3 . 1 1 7 7 ALA N N 7 113.400 113.400 119.945 -6.545 17618
115 1 3 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.241 0.069 17618
116 1 3 . 1 1 7 7 ALA H H 7 7.890 7.890 7.139 0.751 17618
117 1 3 . 1 1 8 8 LEU N N 8 118.300 118.300 117.428 0.872 17618
118 1 3 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.395 0.025 17618
119 1 3 . 1 1 8 8 LEU H H 8 7.830 7.830 7.573 0.257 17618
120 1 3 . 1 1 9 9 ALA N N 9 120.500 120.500 119.777 0.723 17618
121 1 3 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.675 -0.275 17618
122 1 3 . 1 1 9 9 ALA H H 9 8.140 8.140 7.507 0.633 17618
123 1 3 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.623 -0.503 17618
124 1 3 . 1 1 11 11 ALA N N 11 117.000 117.000 124.628 -7.628 17618
125 1 3 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.093 0.107 17618
126 1 3 . 1 1 11 11 ALA H H 11 7.350 7.350 8.512 -1.162 17618
127 1 3 . 1 1 12 12 LEU N N 12 117.000 117.000 119.997 -2.997 17618
128 1 3 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.944 0.286 17618
129 1 3 . 1 1 12 12 LEU H H 12 8.270 8.270 7.839 0.431 17618
130 1 3 . 1 1 13 13 ALA N N 13 119.800 119.800 120.797 -0.997 17618
131 1 3 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.076 0.144 17618
132 1 3 . 1 1 13 13 ALA H H 13 8.440 8.440 7.846 0.594 17618
133 1 3 . 1 1 14 14 LEU N N 14 117.300 117.300 119.992 -2.692 17618
134 1 3 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.355 0.055 17618
135 1 3 . 1 1 14 14 LEU H H 14 8.260 8.260 7.452 0.808 17618
136 1 3 . 1 1 15 15 ALA N N 15 121.100 121.100 122.227 -1.127 17618
137 1 3 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.347 0.043 17618
138 1 3 . 1 1 15 15 ALA H H 15 8.490 8.490 8.795 -0.305 17618
139 1 3 . 1 1 16 16 LEU N N 16 117.300 117.300 119.108 -1.808 17618
140 1 3 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.119 0.161 17618
141 1 3 . 1 1 16 16 LEU H H 16 8.610 8.610 8.689 -0.079 17618
142 1 3 . 1 1 17 17 TRP N N 17 121.300 121.300 120.072 1.228 17618
143 1 3 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.423 0.027 17618
144 1 3 . 1 1 17 17 TRP H H 17 8.820 8.820 7.859 0.961 17618
145 1 3 . 1 1 18 18 TRP N N 18 120.600 120.600 122.661 -2.061 17618
146 1 3 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.192 0.818 17618
147 1 3 . 1 1 18 18 TRP H H 18 9.140 9.140 8.596 0.544 17618
148 1 4 . 1 1 2 2 TRP N N 2 119.500 119.500 122.426 -2.926 17618
149 1 4 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.541 -0.121 17618
150 1 4 . 1 1 2 2 TRP H H 2 8.080 8.080 8.461 -0.381 17618
151 1 4 . 1 1 3 3 TRP N N 3 117.300 117.300 119.193 -1.893 17618
152 1 4 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.568 0.792 17618
153 1 4 . 1 1 3 3 TRP H H 3 7.180 7.180 8.415 -1.235 17618
154 1 4 . 1 1 4 4 LEU N N 4 120.600 120.600 121.948 -1.348 17618
155 1 4 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.148 0.932 17618
156 1 4 . 1 1 4 4 LEU H H 4 7.430 7.430 6.960 0.470 17618
157 1 4 . 1 1 5 5 ALA N N 5 117.300 117.300 121.599 -4.299 17618
158 1 4 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.990 0.180 17618
159 1 4 . 1 1 5 5 ALA H H 5 7.910 7.910 7.851 0.059 17618
160 1 4 . 1 1 6 6 LEU N N 6 115.100 115.100 116.606 -1.506 17618
161 1 4 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.138 0.132 17618
162 1 4 . 1 1 6 6 LEU H H 6 7.810 7.810 7.090 0.720 17618
163 1 4 . 1 1 7 7 ALA N N 7 113.400 113.400 120.779 -7.379 17618
164 1 4 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.223 0.087 17618
165 1 4 . 1 1 7 7 ALA H H 7 7.890 7.890 7.203 0.687 17618
166 1 4 . 1 1 8 8 LEU N N 8 118.300 118.300 117.528 0.772 17618
167 1 4 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.150 0.270 17618
168 1 4 . 1 1 8 8 LEU H H 8 7.830 7.830 7.389 0.441 17618
169 1 4 . 1 1 9 9 ALA N N 9 120.500 120.500 118.684 1.816 17618
170 1 4 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.578 -0.178 17618
171 1 4 . 1 1 9 9 ALA H H 9 8.140 8.140 7.366 0.774 17618
172 1 4 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.400 -0.280 17618
173 1 4 . 1 1 11 11 ALA N N 11 117.000 117.000 123.256 -6.256 17618
174 1 4 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.066 0.134 17618
175 1 4 . 1 1 11 11 ALA H H 11 7.350 7.350 8.472 -1.122 17618
176 1 4 . 1 1 12 12 LEU N N 12 117.000 117.000 119.891 -2.891 17618
177 1 4 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.941 0.289 17618
178 1 4 . 1 1 12 12 LEU H H 12 8.270 8.270 7.784 0.486 17618
179 1 4 . 1 1 13 13 ALA N N 13 119.800 119.800 121.008 -1.208 17618
180 1 4 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.051 0.169 17618
181 1 4 . 1 1 13 13 ALA H H 13 8.440 8.440 7.757 0.683 17618
182 1 4 . 1 1 14 14 LEU N N 14 117.300 117.300 120.064 -2.764 17618
183 1 4 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.305 0.105 17618
184 1 4 . 1 1 14 14 LEU H H 14 8.260 8.260 7.370 0.890 17618
185 1 4 . 1 1 15 15 ALA N N 15 121.100 121.100 121.925 -0.825 17618
186 1 4 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.339 0.051 17618
187 1 4 . 1 1 15 15 ALA H H 15 8.490 8.490 8.813 -0.323 17618
188 1 4 . 1 1 16 16 LEU N N 16 117.300 117.300 119.258 -1.958 17618
189 1 4 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.128 0.152 17618
190 1 4 . 1 1 16 16 LEU H H 16 8.610 8.610 8.517 0.093 17618
191 1 4 . 1 1 17 17 TRP N N 17 121.300 121.300 120.140 1.160 17618
192 1 4 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.406 0.044 17618
193 1 4 . 1 1 17 17 TRP H H 17 8.820 8.820 7.884 0.936 17618
194 1 4 . 1 1 18 18 TRP N N 18 120.600 120.600 122.635 -2.035 17618
195 1 4 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.186 0.824 17618
196 1 4 . 1 1 18 18 TRP H H 18 9.140 9.140 8.540 0.600 17618
197 1 5 . 1 1 2 2 TRP N N 2 119.500 119.500 122.460 -2.960 17618
198 1 5 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.586 -0.166 17618
199 1 5 . 1 1 2 2 TRP H H 2 8.080 8.080 8.456 -0.376 17618
200 1 5 . 1 1 3 3 TRP N N 3 117.300 117.300 119.190 -1.890 17618
201 1 5 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.649 0.711 17618
202 1 5 . 1 1 3 3 TRP H H 3 7.180 7.180 8.461 -1.281 17618
203 1 5 . 1 1 4 4 LEU N N 4 120.600 120.600 121.484 -0.884 17618
204 1 5 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.152 0.928 17618
205 1 5 . 1 1 4 4 LEU H H 4 7.430 7.430 6.872 0.558 17618
206 1 5 . 1 1 5 5 ALA N N 5 117.300 117.300 121.342 -4.042 17618
207 1 5 . 1 1 5 5 ALA HA H 5 4.170 4.170 4.013 0.157 17618
208 1 5 . 1 1 5 5 ALA H H 5 7.910 7.910 7.741 0.169 17618
209 1 5 . 1 1 6 6 LEU N N 6 115.100 115.100 117.781 -2.681 17618
210 1 5 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.085 0.185 17618
211 1 5 . 1 1 6 6 LEU H H 6 7.810 7.810 7.099 0.711 17618
212 1 5 . 1 1 7 7 ALA N N 7 113.400 113.400 120.888 -7.488 17618
213 1 5 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.270 0.040 17618
214 1 5 . 1 1 7 7 ALA H H 7 7.890 7.890 7.456 0.434 17618
215 1 5 . 1 1 8 8 LEU N N 8 118.300 118.300 117.934 0.366 17618
216 1 5 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.254 0.166 17618
217 1 5 . 1 1 8 8 LEU H H 8 7.830 7.830 7.266 0.564 17618
218 1 5 . 1 1 9 9 ALA N N 9 120.500 120.500 119.351 1.149 17618
219 1 5 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.609 -0.209 17618
220 1 5 . 1 1 9 9 ALA H H 9 8.140 8.140 7.458 0.682 17618
221 1 5 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.592 -0.472 17618
222 1 5 . 1 1 11 11 ALA N N 11 117.000 117.000 123.180 -6.180 17618
223 1 5 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.115 0.085 17618
224 1 5 . 1 1 11 11 ALA H H 11 7.350 7.350 8.486 -1.136 17618
225 1 5 . 1 1 12 12 LEU N N 12 117.000 117.000 119.886 -2.886 17618
226 1 5 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.967 0.263 17618
227 1 5 . 1 1 12 12 LEU H H 12 8.270 8.270 7.909 0.361 17618
228 1 5 . 1 1 13 13 ALA N N 13 119.800 119.800 120.467 -0.667 17618
229 1 5 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.121 0.099 17618
230 1 5 . 1 1 13 13 ALA H H 13 8.440 8.440 7.803 0.637 17618
231 1 5 . 1 1 14 14 LEU N N 14 117.300 117.300 120.251 -2.951 17618
232 1 5 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.319 0.091 17618
233 1 5 . 1 1 14 14 LEU H H 14 8.260 8.260 7.501 0.759 17618
234 1 5 . 1 1 15 15 ALA N N 15 121.100 121.100 122.168 -1.068 17618
235 1 5 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.353 0.037 17618
236 1 5 . 1 1 15 15 ALA H H 15 8.490 8.490 8.730 -0.240 17618
237 1 5 . 1 1 16 16 LEU N N 16 117.300 117.300 118.869 -1.569 17618
238 1 5 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.053 0.227 17618
239 1 5 . 1 1 16 16 LEU H H 16 8.610 8.610 8.425 0.185 17618
240 1 5 . 1 1 17 17 TRP N N 17 121.300 121.300 120.628 0.672 17618
241 1 5 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.427 0.023 17618
242 1 5 . 1 1 17 17 TRP H H 17 8.820 8.820 7.901 0.919 17618
243 1 5 . 1 1 18 18 TRP N N 18 120.600 120.600 122.651 -2.051 17618
244 1 5 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.235 0.775 17618
245 1 5 . 1 1 18 18 TRP H H 18 9.140 9.140 8.641 0.499 17618
246 1 6 . 1 1 2 2 TRP N N 2 119.500 119.500 122.439 -2.939 17618
247 1 6 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.596 -0.176 17618
248 1 6 . 1 1 2 2 TRP H H 2 8.080 8.080 8.466 -0.386 17618
249 1 6 . 1 1 3 3 TRP N N 3 117.300 117.300 119.229 -1.929 17618
250 1 6 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.685 0.675 17618
251 1 6 . 1 1 3 3 TRP H H 3 7.180 7.180 8.477 -1.297 17618
252 1 6 . 1 1 4 4 LEU N N 4 120.600 120.600 121.502 -0.902 17618
253 1 6 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.165 0.915 17618
254 1 6 . 1 1 4 4 LEU H H 4 7.430 7.430 6.882 0.548 17618
255 1 6 . 1 1 5 5 ALA N N 5 117.300 117.300 121.340 -4.040 17618
256 1 6 . 1 1 5 5 ALA HA H 5 4.170 4.170 4.007 0.163 17618
257 1 6 . 1 1 5 5 ALA H H 5 7.910 7.910 7.725 0.185 17618
258 1 6 . 1 1 6 6 LEU N N 6 115.100 115.100 117.383 -2.283 17618
259 1 6 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.071 0.199 17618
260 1 6 . 1 1 6 6 LEU H H 6 7.810 7.810 7.037 0.773 17618
261 1 6 . 1 1 7 7 ALA N N 7 113.400 113.400 120.157 -6.757 17618
262 1 6 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.246 0.064 17618
263 1 6 . 1 1 7 7 ALA H H 7 7.890 7.890 7.210 0.680 17618
264 1 6 . 1 1 8 8 LEU N N 8 118.300 118.300 117.586 0.714 17618
265 1 6 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.314 0.106 17618
266 1 6 . 1 1 8 8 LEU H H 8 7.830 7.830 7.218 0.612 17618
267 1 6 . 1 1 9 9 ALA N N 9 120.500 120.500 119.286 1.214 17618
268 1 6 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.640 -0.240 17618
269 1 6 . 1 1 9 9 ALA H H 9 8.140 8.140 7.553 0.587 17618
270 1 6 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.545 -0.425 17618
271 1 6 . 1 1 11 11 ALA N N 11 117.000 117.000 122.441 -5.441 17618
272 1 6 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.130 0.070 17618
273 1 6 . 1 1 11 11 ALA H H 11 7.350 7.350 8.458 -1.108 17618
274 1 6 . 1 1 12 12 LEU N N 12 117.000 117.000 119.931 -2.931 17618
275 1 6 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.954 0.276 17618
276 1 6 . 1 1 12 12 LEU H H 12 8.270 8.270 7.920 0.350 17618
277 1 6 . 1 1 13 13 ALA N N 13 119.800 119.800 120.622 -0.822 17618
278 1 6 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.111 0.109 17618
279 1 6 . 1 1 13 13 ALA H H 13 8.440 8.440 7.913 0.527 17618
280 1 6 . 1 1 14 14 LEU N N 14 117.300 117.300 120.351 -3.051 17618
281 1 6 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.366 0.044 17618
282 1 6 . 1 1 14 14 LEU H H 14 8.260 8.260 7.478 0.782 17618
283 1 6 . 1 1 15 15 ALA N N 15 121.100 121.100 122.051 -0.951 17618
284 1 6 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.358 0.032 17618
285 1 6 . 1 1 15 15 ALA H H 15 8.490 8.490 8.717 -0.227 17618
286 1 6 . 1 1 16 16 LEU N N 16 117.300 117.300 118.922 -1.622 17618
287 1 6 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.050 0.230 17618
288 1 6 . 1 1 16 16 LEU H H 16 8.610 8.610 8.570 0.040 17618
289 1 6 . 1 1 17 17 TRP N N 17 121.300 121.300 120.677 0.623 17618
290 1 6 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.423 0.027 17618
291 1 6 . 1 1 17 17 TRP H H 17 8.820 8.820 7.899 0.921 17618
292 1 6 . 1 1 18 18 TRP N N 18 120.600 120.600 122.609 -2.009 17618
293 1 6 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.247 0.763 17618
294 1 6 . 1 1 18 18 TRP H H 18 9.140 9.140 8.583 0.557 17618
295 1 7 . 1 1 2 2 TRP N N 2 119.500 119.500 122.536 -3.036 17618
296 1 7 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.573 -0.153 17618
297 1 7 . 1 1 2 2 TRP H H 2 8.080 8.080 8.461 -0.381 17618
298 1 7 . 1 1 3 3 TRP N N 3 117.300 117.300 119.111 -1.811 17618
299 1 7 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.663 0.697 17618
300 1 7 . 1 1 3 3 TRP H H 3 7.180 7.180 8.476 -1.296 17618
301 1 7 . 1 1 4 4 LEU N N 4 120.600 120.600 121.707 -1.107 17618
302 1 7 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.155 0.925 17618
303 1 7 . 1 1 4 4 LEU H H 4 7.430 7.430 6.892 0.538 17618
304 1 7 . 1 1 5 5 ALA N N 5 117.300 117.300 121.339 -4.039 17618
305 1 7 . 1 1 5 5 ALA HA H 5 4.170 4.170 4.017 0.153 17618
306 1 7 . 1 1 5 5 ALA H H 5 7.910 7.910 7.807 0.103 17618
307 1 7 . 1 1 6 6 LEU N N 6 115.100 115.100 118.500 -3.400 17618
308 1 7 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.082 0.188 17618
309 1 7 . 1 1 6 6 LEU H H 6 7.810 7.810 7.146 0.664 17618
310 1 7 . 1 1 7 7 ALA N N 7 113.400 113.400 121.252 -7.852 17618
311 1 7 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.206 0.104 17618
312 1 7 . 1 1 7 7 ALA H H 7 7.890 7.890 7.359 0.531 17618
313 1 7 . 1 1 8 8 LEU N N 8 118.300 118.300 118.493 -0.193 17618
314 1 7 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.292 0.128 17618
315 1 7 . 1 1 8 8 LEU H H 8 7.830 7.830 7.446 0.384 17618
316 1 7 . 1 1 9 9 ALA N N 9 120.500 120.500 119.434 1.066 17618
317 1 7 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.591 -0.191 17618
318 1 7 . 1 1 9 9 ALA H H 9 8.140 8.140 7.302 0.838 17618
319 1 7 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.593 -0.473 17618
320 1 7 . 1 1 11 11 ALA N N 11 117.000 117.000 120.966 -3.966 17618
321 1 7 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.155 0.045 17618
322 1 7 . 1 1 11 11 ALA H H 11 7.350 7.350 8.405 -1.055 17618
323 1 7 . 1 1 12 12 LEU N N 12 117.000 117.000 119.881 -2.881 17618
324 1 7 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.975 0.255 17618
325 1 7 . 1 1 12 12 LEU H H 12 8.270 8.270 7.943 0.327 17618
326 1 7 . 1 1 13 13 ALA N N 13 119.800 119.800 120.521 -0.721 17618
327 1 7 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.121 0.099 17618
328 1 7 . 1 1 13 13 ALA H H 13 8.440 8.440 8.038 0.402 17618
329 1 7 . 1 1 14 14 LEU N N 14 117.300 117.300 120.223 -2.923 17618
330 1 7 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.395 0.015 17618
331 1 7 . 1 1 14 14 LEU H H 14 8.260 8.260 7.485 0.775 17618
332 1 7 . 1 1 15 15 ALA N N 15 121.100 121.100 122.330 -1.230 17618
333 1 7 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.376 0.014 17618
334 1 7 . 1 1 15 15 ALA H H 15 8.490 8.490 8.807 -0.317 17618
335 1 7 . 1 1 16 16 LEU N N 16 117.300 117.300 118.965 -1.665 17618
336 1 7 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.151 0.129 17618
337 1 7 . 1 1 16 16 LEU H H 16 8.610 8.610 8.556 0.054 17618
338 1 7 . 1 1 17 17 TRP N N 17 121.300 121.300 120.114 1.186 17618
339 1 7 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.420 0.030 17618
340 1 7 . 1 1 17 17 TRP H H 17 8.820 8.820 7.868 0.952 17618
341 1 7 . 1 1 18 18 TRP N N 18 120.600 120.600 122.659 -2.059 17618
342 1 7 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.261 0.749 17618
343 1 7 . 1 1 18 18 TRP H H 18 9.140 9.140 8.645 0.495 17618
344 1 8 . 1 1 2 2 TRP N N 2 119.500 119.500 122.484 -2.984 17618
345 1 8 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.564 -0.144 17618
346 1 8 . 1 1 2 2 TRP H H 2 8.080 8.080 8.462 -0.382 17618
347 1 8 . 1 1 3 3 TRP N N 3 117.300 117.300 119.153 -1.853 17618
348 1 8 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.657 0.703 17618
349 1 8 . 1 1 3 3 TRP H H 3 7.180 7.180 8.460 -1.280 17618
350 1 8 . 1 1 4 4 LEU N N 4 120.600 120.600 121.758 -1.158 17618
351 1 8 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.163 0.917 17618
352 1 8 . 1 1 4 4 LEU H H 4 7.430 7.430 6.899 0.531 17618
353 1 8 . 1 1 5 5 ALA N N 5 117.300 117.300 121.377 -4.077 17618
354 1 8 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.995 0.175 17618
355 1 8 . 1 1 5 5 ALA H H 5 7.910 7.910 7.729 0.181 17618
356 1 8 . 1 1 6 6 LEU N N 6 115.100 115.100 117.673 -2.573 17618
357 1 8 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.069 0.201 17618
358 1 8 . 1 1 6 6 LEU H H 6 7.810 7.810 7.089 0.721 17618
359 1 8 . 1 1 7 7 ALA N N 7 113.400 113.400 121.121 -7.721 17618
360 1 8 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.215 0.095 17618
361 1 8 . 1 1 7 7 ALA H H 7 7.890 7.890 7.361 0.529 17618
362 1 8 . 1 1 8 8 LEU N N 8 118.300 118.300 118.632 -0.332 17618
363 1 8 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.276 0.144 17618
364 1 8 . 1 1 8 8 LEU H H 8 7.830 7.830 7.448 0.382 17618
365 1 8 . 1 1 9 9 ALA N N 9 120.500 120.500 119.422 1.078 17618
366 1 8 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.583 -0.183 17618
367 1 8 . 1 1 9 9 ALA H H 9 8.140 8.140 7.402 0.738 17618
368 1 8 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.597 -0.477 17618
369 1 8 . 1 1 11 11 ALA N N 11 117.000 117.000 121.358 -4.358 17618
370 1 8 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.112 0.088 17618
371 1 8 . 1 1 11 11 ALA H H 11 7.350 7.350 8.414 -1.064 17618
372 1 8 . 1 1 12 12 LEU N N 12 117.000 117.000 119.836 -2.836 17618
373 1 8 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.963 0.267 17618
374 1 8 . 1 1 12 12 LEU H H 12 8.270 8.270 7.884 0.386 17618
375 1 8 . 1 1 13 13 ALA N N 13 119.800 119.800 120.684 -0.884 17618
376 1 8 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.099 0.121 17618
377 1 8 . 1 1 13 13 ALA H H 13 8.440 8.440 7.907 0.533 17618
378 1 8 . 1 1 14 14 LEU N N 14 117.300 117.300 120.145 -2.845 17618
379 1 8 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.359 0.051 17618
380 1 8 . 1 1 14 14 LEU H H 14 8.260 8.260 7.446 0.814 17618
381 1 8 . 1 1 15 15 ALA N N 15 121.100 121.100 122.231 -1.131 17618
382 1 8 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.392 -0.002 17618
383 1 8 . 1 1 15 15 ALA H H 15 8.490 8.490 8.730 -0.240 17618
384 1 8 . 1 1 16 16 LEU N N 16 117.300 117.300 118.821 -1.521 17618
385 1 8 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.142 0.138 17618
386 1 8 . 1 1 16 16 LEU H H 16 8.610 8.610 8.541 0.069 17618
387 1 8 . 1 1 17 17 TRP N N 17 121.300 121.300 120.443 0.857 17618
388 1 8 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.418 0.032 17618
389 1 8 . 1 1 17 17 TRP H H 17 8.820 8.820 7.913 0.907 17618
390 1 8 . 1 1 18 18 TRP N N 18 120.600 120.600 122.654 -2.054 17618
391 1 8 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.210 0.800 17618
392 1 8 . 1 1 18 18 TRP H H 18 9.140 9.140 8.580 0.560 17618
393 1 9 . 1 1 2 2 TRP N N 2 119.500 119.500 122.420 -2.920 17618
394 1 9 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.565 -0.145 17618
395 1 9 . 1 1 2 2 TRP H H 2 8.080 8.080 8.461 -0.381 17618
396 1 9 . 1 1 3 3 TRP N N 3 117.300 117.300 119.169 -1.869 17618
397 1 9 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.623 0.737 17618
398 1 9 . 1 1 3 3 TRP H H 3 7.180 7.180 8.446 -1.266 17618
399 1 9 . 1 1 4 4 LEU N N 4 120.600 120.600 121.907 -1.307 17618
400 1 9 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.099 0.981 17618
401 1 9 . 1 1 4 4 LEU H H 4 7.430 7.430 6.879 0.551 17618
402 1 9 . 1 1 5 5 ALA N N 5 117.300 117.300 120.712 -3.412 17618
403 1 9 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.983 0.187 17618
404 1 9 . 1 1 5 5 ALA H H 5 7.910 7.910 7.641 0.269 17618
405 1 9 . 1 1 6 6 LEU N N 6 115.100 115.100 117.062 -1.962 17618
406 1 9 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.069 0.201 17618
407 1 9 . 1 1 6 6 LEU H H 6 7.810 7.810 7.221 0.589 17618
408 1 9 . 1 1 7 7 ALA N N 7 113.400 113.400 120.095 -6.695 17618
409 1 9 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.248 0.062 17618
410 1 9 . 1 1 7 7 ALA H H 7 7.890 7.890 7.125 0.765 17618
411 1 9 . 1 1 8 8 LEU N N 8 118.300 118.300 117.585 0.715 17618
412 1 9 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.376 0.044 17618
413 1 9 . 1 1 8 8 LEU H H 8 7.830 7.830 7.563 0.267 17618
414 1 9 . 1 1 9 9 ALA N N 9 120.500 120.500 119.877 0.623 17618
415 1 9 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.680 -0.280 17618
416 1 9 . 1 1 9 9 ALA H H 9 8.140 8.140 7.478 0.662 17618
417 1 9 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.673 -0.553 17618
418 1 9 . 1 1 11 11 ALA N N 11 117.000 117.000 124.942 -7.942 17618
419 1 9 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.107 0.093 17618
420 1 9 . 1 1 11 11 ALA H H 11 7.350 7.350 8.527 -1.177 17618
421 1 9 . 1 1 12 12 LEU N N 12 117.000 117.000 120.066 -3.066 17618
422 1 9 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.945 0.285 17618
423 1 9 . 1 1 12 12 LEU H H 12 8.270 8.270 7.808 0.462 17618
424 1 9 . 1 1 13 13 ALA N N 13 119.800 119.800 120.636 -0.836 17618
425 1 9 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.070 0.150 17618
426 1 9 . 1 1 13 13 ALA H H 13 8.440 8.440 7.851 0.589 17618
427 1 9 . 1 1 14 14 LEU N N 14 117.300 117.300 119.526 -2.226 17618
428 1 9 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.455 -0.045 17618
429 1 9 . 1 1 14 14 LEU H H 14 8.260 8.260 7.617 0.643 17618
430 1 9 . 1 1 15 15 ALA N N 15 121.100 121.100 122.520 -1.420 17618
431 1 9 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.358 0.032 17618
432 1 9 . 1 1 15 15 ALA H H 15 8.490 8.490 8.751 -0.261 17618
433 1 9 . 1 1 16 16 LEU N N 16 117.300 117.300 119.091 -1.791 17618
434 1 9 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.129 0.151 17618
435 1 9 . 1 1 16 16 LEU H H 16 8.610 8.610 8.692 -0.082 17618
436 1 9 . 1 1 17 17 TRP N N 17 121.300 121.300 120.122 1.178 17618
437 1 9 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.425 0.025 17618
438 1 9 . 1 1 17 17 TRP H H 17 8.820 8.820 7.885 0.935 17618
439 1 9 . 1 1 18 18 TRP N N 18 120.600 120.600 122.563 -1.963 17618
440 1 9 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.184 0.826 17618
441 1 9 . 1 1 18 18 TRP H H 18 9.140 9.140 8.637 0.503 17618
442 1 10 . 1 1 2 2 TRP N N 2 119.500 119.500 122.458 -2.958 17618
443 1 10 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.572 -0.152 17618
444 1 10 . 1 1 2 2 TRP H H 2 8.080 8.080 8.463 -0.383 17618
445 1 10 . 1 1 3 3 TRP N N 3 117.300 117.300 119.143 -1.843 17618
446 1 10 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.673 0.687 17618
447 1 10 . 1 1 3 3 TRP H H 3 7.180 7.180 8.461 -1.281 17618
448 1 10 . 1 1 4 4 LEU N N 4 120.600 120.600 121.697 -1.097 17618
449 1 10 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.155 0.925 17618
450 1 10 . 1 1 4 4 LEU H H 4 7.430 7.430 6.873 0.557 17618
451 1 10 . 1 1 5 5 ALA N N 5 117.300 117.300 121.359 -4.059 17618
452 1 10 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.994 0.176 17618
453 1 10 . 1 1 5 5 ALA H H 5 7.910 7.910 7.709 0.201 17618
454 1 10 . 1 1 6 6 LEU N N 6 115.100 115.100 117.272 -2.172 17618
455 1 10 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.063 0.207 17618
456 1 10 . 1 1 6 6 LEU H H 6 7.810 7.810 7.146 0.664 17618
457 1 10 . 1 1 7 7 ALA N N 7 113.400 113.400 119.806 -6.406 17618
458 1 10 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.243 0.067 17618
459 1 10 . 1 1 7 7 ALA H H 7 7.890 7.890 7.132 0.758 17618
460 1 10 . 1 1 8 8 LEU N N 8 118.300 118.300 117.596 0.704 17618
461 1 10 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.376 0.044 17618
462 1 10 . 1 1 8 8 LEU H H 8 7.830 7.830 7.673 0.157 17618
463 1 10 . 1 1 9 9 ALA N N 9 120.500 120.500 119.572 0.928 17618
464 1 10 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.672 -0.272 17618
465 1 10 . 1 1 9 9 ALA H H 9 8.140 8.140 7.508 0.632 17618
466 1 10 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.599 -0.479 17618
467 1 10 . 1 1 11 11 ALA N N 11 117.000 117.000 124.589 -7.589 17618
468 1 10 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.087 0.113 17618
469 1 10 . 1 1 11 11 ALA H H 11 7.350 7.350 8.515 -1.165 17618
470 1 10 . 1 1 12 12 LEU N N 12 117.000 117.000 120.009 -3.009 17618
471 1 10 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.946 0.284 17618
472 1 10 . 1 1 12 12 LEU H H 12 8.270 8.270 7.806 0.464 17618
473 1 10 . 1 1 13 13 ALA N N 13 119.800 119.800 120.808 -1.008 17618
474 1 10 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.061 0.159 17618
475 1 10 . 1 1 13 13 ALA H H 13 8.440 8.440 7.804 0.636 17618
476 1 10 . 1 1 14 14 LEU N N 14 117.300 117.300 119.575 -2.275 17618
477 1 10 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.442 -0.032 17618
478 1 10 . 1 1 14 14 LEU H H 14 8.260 8.260 7.548 0.712 17618
479 1 10 . 1 1 15 15 ALA N N 15 121.100 121.100 122.429 -1.329 17618
480 1 10 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.352 0.038 17618
481 1 10 . 1 1 15 15 ALA H H 15 8.490 8.490 8.770 -0.280 17618
482 1 10 . 1 1 16 16 LEU N N 16 117.300 117.300 119.151 -1.851 17618
483 1 10 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.132 0.148 17618
484 1 10 . 1 1 16 16 LEU H H 16 8.610 8.610 8.702 -0.092 17618
485 1 10 . 1 1 17 17 TRP N N 17 121.300 121.300 120.110 1.190 17618
486 1 10 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.424 0.026 17618
487 1 10 . 1 1 17 17 TRP H H 17 8.820 8.820 7.889 0.931 17618
488 1 10 . 1 1 18 18 TRP N N 18 120.600 120.600 122.540 -1.940 17618
489 1 10 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.169 0.841 17618
490 1 10 . 1 1 18 18 TRP H H 18 9.140 9.140 8.650 0.490 17618
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 3.184 2.009 2.550 17618
2 1 1 "Average Difference" HA 17 0.395 -0.207 0.346 17618
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17618
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17618
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17618
6 1 1 "Average Difference" HN 16 0.680 -0.211 0.667 17618
7 1 2 "Average Difference" N 16 3.046 2.138 2.241 17618
8 1 2 "Average Difference" HA 17 0.446 -0.192 0.415 17618
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17618
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17618
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17618
12 1 2 "Average Difference" HN 16 0.645 -0.173 0.642 17618
13 1 3 "Average Difference" N 16 3.155 2.155 2.380 17618
14 1 3 "Average Difference" HA 17 0.396 -0.167 0.370 17618
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17618
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17618
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17618
18 1 3 "Average Difference" HN 16 0.687 -0.200 0.678 17618
19 1 4 "Average Difference" N 16 3.159 2.096 2.441 17618
20 1 4 "Average Difference" HA 17 0.391 -0.211 0.340 17618
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17618
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17618
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17618
24 1 4 "Average Difference" HN 16 0.697 -0.236 0.678 17618
25 1 5 "Average Difference" N 16 3.143 2.196 2.323 17618
26 1 5 "Average Difference" HA 17 0.383 -0.173 0.353 17618
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17618
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17618
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17618
30 1 5 "Average Difference" HN 16 0.670 -0.215 0.656 17618
31 1 6 "Average Difference" N 16 2.942 2.070 2.159 17618
32 1 6 "Average Difference" HA 17 0.374 -0.167 0.345 17618
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17618
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17618
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17618
36 1 6 "Average Difference" HN 16 0.680 -0.222 0.664 17618
37 1 7 "Average Difference" N 16 3.036 2.164 2.198 17618
38 1 7 "Average Difference" HA 17 0.373 -0.159 0.348 17618
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17618
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17618
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17618
42 1 7 "Average Difference" HN 16 0.658 -0.188 0.651 17618
43 1 8 "Average Difference" N 16 2.982 2.149 2.134 17618
44 1 8 "Average Difference" HA 17 0.381 -0.172 0.351 17618
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17618
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17618
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17618
48 1 8 "Average Difference" HN 16 0.662 -0.212 0.648 17618
49 1 9 "Average Difference" N 16 3.197 2.181 2.414 17618
50 1 9 "Average Difference" HA 17 0.407 -0.162 0.385 17618
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17618
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17618
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17618
54 1 9 "Average Difference" HN 16 0.667 -0.192 0.660 17618
55 1 10 "Average Difference" N 16 3.164 2.170 2.378 17618
56 1 10 "Average Difference" HA 17 0.390 -0.164 0.365 17618
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17618
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17618
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17618
60 1 10 "Average Difference" HN 16 0.673 -0.188 0.668 17618
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 17618
_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 2 119.500 119.500 122.462 -2.962 17618
2 1 . 1 1 2 2 TRP HA H 2 4.420 4.420 4.574 -0.154 17618
3 1 . 1 1 2 2 TRP H H 2 8.080 8.080 8.464 -0.384 17618
4 1 . 1 1 3 3 TRP N N 3 117.300 117.300 119.168 -1.868 17618
5 1 . 1 1 3 3 TRP HA H 3 4.360 4.360 3.650 0.710 17618
6 1 . 1 1 3 3 TRP H H 3 7.180 7.180 8.456 -1.276 17618
7 1 . 1 1 4 4 LEU N N 4 120.600 120.600 121.899 -1.299 17618
8 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 3.104 0.976 17618
9 1 . 1 1 4 4 LEU H H 4 7.430 7.430 6.889 0.541 17618
10 1 . 1 1 5 5 ALA N N 5 117.300 117.300 121.080 -3.780 17618
11 1 . 1 1 5 5 ALA HA H 5 4.170 4.170 3.974 0.197 17618
12 1 . 1 1 5 5 ALA H H 5 7.910 7.910 7.680 0.230 17618
13 1 . 1 1 6 6 LEU N N 6 115.100 115.100 117.383 -2.283 17618
14 1 . 1 1 6 6 LEU HA H 6 4.270 4.270 4.085 0.185 17618
15 1 . 1 1 6 6 LEU H H 6 7.810 7.810 7.158 0.652 17618
16 1 . 1 1 7 7 ALA N N 7 113.400 113.400 120.553 -7.153 17618
17 1 . 1 1 7 7 ALA HA H 7 4.310 4.310 4.234 0.076 17618
18 1 . 1 1 7 7 ALA H H 7 7.890 7.890 7.292 0.598 17618
19 1 . 1 1 8 8 LEU N N 8 118.300 118.300 117.697 0.603 17618
20 1 . 1 1 8 8 LEU HA H 8 4.420 4.420 4.296 0.124 17618
21 1 . 1 1 8 8 LEU H H 8 7.830 7.830 7.473 0.357 17618
22 1 . 1 1 9 9 ALA N N 9 120.500 120.500 119.351 1.149 17618
23 1 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.629 -0.229 17618
24 1 . 1 1 9 9 ALA H H 9 8.140 8.140 7.440 0.700 17618
25 1 . 1 1 10 10 PRO HA H 10 4.120 4.120 4.561 -0.441 17618
26 1 . 1 1 11 11 ALA N N 11 117.000 117.000 123.113 -6.113 17618
27 1 . 1 1 11 11 ALA HA H 11 4.200 4.200 4.106 0.094 17618
28 1 . 1 1 11 11 ALA H H 11 7.350 7.350 8.472 -1.122 17618
29 1 . 1 1 12 12 LEU N N 12 117.000 117.000 119.952 -2.952 17618
30 1 . 1 1 12 12 LEU HA H 12 4.230 4.230 3.953 0.277 17618
31 1 . 1 1 12 12 LEU H H 12 8.270 8.270 7.855 0.415 17618
32 1 . 1 1 13 13 ALA N N 13 119.800 119.800 120.708 -0.908 17618
33 1 . 1 1 13 13 ALA HA H 13 4.220 4.220 4.085 0.135 17618
34 1 . 1 1 13 13 ALA H H 13 8.440 8.440 7.865 0.575 17618
35 1 . 1 1 14 14 LEU N N 14 117.300 117.300 120.005 -2.705 17618
36 1 . 1 1 14 14 LEU HA H 14 4.410 4.410 4.372 0.038 17618
37 1 . 1 1 14 14 LEU H H 14 8.260 8.260 7.482 0.778 17618
38 1 . 1 1 15 15 ALA N N 15 121.100 121.100 122.229 -1.129 17618
39 1 . 1 1 15 15 ALA HA H 15 4.390 4.390 4.358 0.032 17618
40 1 . 1 1 15 15 ALA H H 15 8.490 8.490 8.768 -0.278 17618
41 1 . 1 1 16 16 LEU N N 16 117.300 117.300 119.046 -1.746 17618
42 1 . 1 1 16 16 LEU HA H 16 4.280 4.280 4.115 0.165 17618
43 1 . 1 1 16 16 LEU H H 16 8.610 8.610 8.607 0.003 17618
44 1 . 1 1 17 17 TRP N N 17 121.300 121.300 120.251 1.049 17618
45 1 . 1 1 17 17 TRP HA H 17 4.450 4.450 4.421 0.029 17618
46 1 . 1 1 17 17 TRP H H 17 8.820 8.820 7.883 0.937 17618
47 1 . 1 1 18 18 TRP N N 18 120.600 120.600 122.630 -2.030 17618
48 1 . 1 1 18 18 TRP HA H 18 4.010 4.010 3.207 0.803 17618
49 1 . 1 1 18 18 TRP H H 18 9.140 9.140 8.609 0.531 17618
stop_
save_