data_25524
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25524
_Entry.PDB_ID 2N0G
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 25524
_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 ASN HA H 2 4.802 4.802 4.849 -0.047 25524
2 1 1 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.360 1.167 25524
3 1 1 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.768 0.770 25524
4 1 1 . 1 1 3 3 HIS N N 3 119.480 119.480 123.904 -4.424 25524
5 1 1 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.719 -0.249 25524
6 1 1 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.586 2.215 25524
7 1 1 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.321 -1.728 25524
8 1 1 . 1 1 3 3 HIS H H 3 8.468 8.468 8.453 0.015 25524
9 1 1 . 1 1 4 4 TRP N N 4 120.668 120.668 122.278 -1.610 25524
10 1 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.399 0.081 25524
11 1 1 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.323 0.449 25524
12 1 1 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.513 0.782 25524
13 1 1 . 1 1 4 4 TRP H H 4 8.045 8.045 8.708 -0.663 25524
14 1 1 . 1 1 5 5 ALA N N 5 123.184 123.184 120.738 2.446 25524
15 1 1 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.319 -0.156 25524
16 1 1 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.001 1.129 25524
17 1 1 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.076 1.040 25524
18 1 1 . 1 1 5 5 ALA H H 5 8.024 8.024 8.308 -0.284 25524
19 1 1 . 1 1 6 6 VAL N N 6 117.130 117.130 117.889 -0.759 25524
20 1 1 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.611 0.179 25524
21 1 1 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.935 0.629 25524
22 1 1 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.182 2.018 25524
23 1 1 . 1 1 6 6 VAL H H 6 7.741 7.741 8.030 -0.289 25524
24 1 1 . 1 1 7 7 GLY N N 7 106.931 106.931 106.812 0.119 25524
25 1 1 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.822 0.302 25524
26 1 1 . 1 1 7 7 GLY H H 7 8.122 8.122 7.593 0.529 25524
27 1 1 . 1 1 8 8 HIS N N 8 115.776 115.776 118.838 -3.062 25524
28 1 1 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.510 -0.037 25524
29 1 1 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.793 2.444 25524
30 1 1 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.162 -0.709 25524
31 1 1 . 1 1 8 8 HIS H H 8 7.753 7.753 7.715 0.038 25524
32 1 1 . 1 1 9 9 LEU N N 9 120.807 120.807 119.205 1.602 25524
33 1 1 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.123 0.206 25524
34 1 1 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.618 0.983 25524
35 1 1 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.878 0.689 25524
36 1 1 . 1 1 9 9 LEU H H 9 8.021 8.021 7.682 0.339 25524
37 1 2 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.818 -0.016 25524
38 1 2 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.673 1.854 25524
39 1 2 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.122 -0.584 25524
40 1 2 . 1 1 3 3 HIS N N 3 119.480 119.480 120.530 -1.050 25524
41 1 2 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.409 0.061 25524
42 1 2 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.494 0.307 25524
43 1 2 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.048 -0.455 25524
44 1 2 . 1 1 3 3 HIS H H 3 8.468 8.468 8.524 -0.056 25524
45 1 2 . 1 1 4 4 TRP N N 4 120.668 120.668 120.104 0.564 25524
46 1 2 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.164 0.316 25524
47 1 2 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.049 0.723 25524
48 1 2 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.221 1.074 25524
49 1 2 . 1 1 4 4 TRP H H 4 8.045 8.045 8.473 -0.428 25524
50 1 2 . 1 1 5 5 ALA N N 5 123.184 123.184 121.126 2.058 25524
51 1 2 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.222 -0.059 25524
52 1 2 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.808 1.322 25524
53 1 2 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.355 0.760 25524
54 1 2 . 1 1 5 5 ALA H H 5 8.024 8.024 7.947 0.077 25524
55 1 2 . 1 1 6 6 VAL N N 6 117.130 117.130 118.529 -1.399 25524
56 1 2 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.667 0.123 25524
57 1 2 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.463 1.101 25524
58 1 2 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.200 2.000 25524
59 1 2 . 1 1 6 6 VAL H H 6 7.741 7.741 7.570 0.171 25524
60 1 2 . 1 1 7 7 GLY N N 7 106.931 106.931 107.226 -0.295 25524
61 1 2 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.994 0.130 25524
62 1 2 . 1 1 7 7 GLY H H 7 8.122 8.122 7.541 0.581 25524
63 1 2 . 1 1 8 8 HIS N N 8 115.776 115.776 119.176 -3.400 25524
64 1 2 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.565 -0.092 25524
65 1 2 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.207 2.030 25524
66 1 2 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.443 -0.990 25524
67 1 2 . 1 1 8 8 HIS H H 8 7.753 7.753 7.544 0.209 25524
68 1 2 . 1 1 9 9 LEU N N 9 120.807 120.807 119.720 1.087 25524
69 1 2 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.083 0.246 25524
70 1 2 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.229 0.372 25524
71 1 2 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.404 1.163 25524
72 1 2 . 1 1 9 9 LEU H H 9 8.021 8.021 7.685 0.336 25524
73 1 3 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.164 -0.362 25524
74 1 3 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.786 1.741 25524
75 1 3 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.808 -0.270 25524
76 1 3 . 1 1 3 3 HIS N N 3 119.480 119.480 119.736 -0.256 25524
77 1 3 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.333 0.137 25524
78 1 3 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.225 -0.424 25524
79 1 3 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.141 -0.548 25524
80 1 3 . 1 1 3 3 HIS H H 3 8.468 8.468 8.621 -0.153 25524
81 1 3 . 1 1 4 4 TRP N N 4 120.668 120.668 119.614 1.054 25524
82 1 3 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.373 0.107 25524
83 1 3 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.747 1.025 25524
84 1 3 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.538 0.756 25524
85 1 3 . 1 1 4 4 TRP H H 4 8.045 8.045 8.202 -0.157 25524
86 1 3 . 1 1 5 5 ALA N N 5 123.184 123.184 121.419 1.765 25524
87 1 3 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.280 -0.117 25524
88 1 3 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.920 1.210 25524
89 1 3 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.241 0.875 25524
90 1 3 . 1 1 5 5 ALA H H 5 8.024 8.024 7.655 0.369 25524
91 1 3 . 1 1 6 6 VAL N N 6 117.130 117.130 118.227 -1.097 25524
92 1 3 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.622 0.168 25524
93 1 3 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.456 0.108 25524
94 1 3 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.144 2.056 25524
95 1 3 . 1 1 6 6 VAL H H 6 7.741 7.741 8.147 -0.406 25524
96 1 3 . 1 1 7 7 GLY N N 7 106.931 106.931 106.432 0.499 25524
97 1 3 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.742 0.382 25524
98 1 3 . 1 1 7 7 GLY H H 7 8.122 8.122 7.650 0.472 25524
99 1 3 . 1 1 8 8 HIS N N 8 115.776 115.776 119.836 -4.060 25524
100 1 3 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.530 -0.057 25524
101 1 3 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.269 1.968 25524
102 1 3 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.718 -1.265 25524
103 1 3 . 1 1 8 8 HIS H H 8 7.753 7.753 7.715 0.038 25524
104 1 3 . 1 1 9 9 LEU N N 9 120.807 120.807 119.215 1.592 25524
105 1 3 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.077 0.252 25524
106 1 3 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.215 0.386 25524
107 1 3 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.687 0.880 25524
108 1 3 . 1 1 9 9 LEU H H 9 8.021 8.021 8.212 -0.191 25524
109 1 4 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.048 -0.246 25524
110 1 4 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.677 0.850 25524
111 1 4 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.758 -0.220 25524
112 1 4 . 1 1 3 3 HIS N N 3 119.480 119.480 120.859 -1.379 25524
113 1 4 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.653 -0.183 25524
114 1 4 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.197 2.604 25524
115 1 4 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.170 -1.577 25524
116 1 4 . 1 1 3 3 HIS H H 3 8.468 8.468 8.581 -0.113 25524
117 1 4 . 1 1 4 4 TRP N N 4 120.668 120.668 121.746 -1.078 25524
118 1 4 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.374 0.106 25524
119 1 4 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.980 0.792 25524
120 1 4 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.439 0.856 25524
121 1 4 . 1 1 4 4 TRP H H 4 8.045 8.045 8.373 -0.328 25524
122 1 4 . 1 1 5 5 ALA N N 5 123.184 123.184 120.530 2.654 25524
123 1 4 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.194 -0.031 25524
124 1 4 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.725 1.405 25524
125 1 4 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.241 0.875 25524
126 1 4 . 1 1 5 5 ALA H H 5 8.024 8.024 8.410 -0.386 25524
127 1 4 . 1 1 6 6 VAL N N 6 117.130 117.130 118.134 -1.004 25524
128 1 4 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.602 0.188 25524
129 1 4 . 1 1 6 6 VAL CA C 6 66.564 66.564 64.531 2.033 25524
130 1 4 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.470 2.730 25524
131 1 4 . 1 1 6 6 VAL H H 6 7.741 7.741 7.857 -0.116 25524
132 1 4 . 1 1 7 7 GLY N N 7 106.931 106.931 107.759 -0.828 25524
133 1 4 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.163 -0.039 25524
134 1 4 . 1 1 7 7 GLY H H 7 8.122 8.122 7.751 0.371 25524
135 1 4 . 1 1 8 8 HIS N N 8 115.776 115.776 118.666 -2.890 25524
136 1 4 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.601 -0.128 25524
137 1 4 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.503 2.734 25524
138 1 4 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.111 -0.658 25524
139 1 4 . 1 1 8 8 HIS H H 8 7.753 7.753 7.529 0.224 25524
140 1 4 . 1 1 9 9 LEU N N 9 120.807 120.807 119.487 1.320 25524
141 1 4 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.162 0.167 25524
142 1 4 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.602 0.999 25524
143 1 4 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.414 1.153 25524
144 1 4 . 1 1 9 9 LEU H H 9 8.021 8.021 7.516 0.505 25524
145 1 5 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.014 -0.212 25524
146 1 5 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.348 2.179 25524
147 1 5 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.901 0.636 25524
148 1 5 . 1 1 3 3 HIS N N 3 119.480 119.480 122.747 -3.267 25524
149 1 5 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.300 0.170 25524
150 1 5 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.953 -1.152 25524
151 1 5 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.378 -0.785 25524
152 1 5 . 1 1 3 3 HIS H H 3 8.468 8.468 8.577 -0.109 25524
153 1 5 . 1 1 4 4 TRP N N 4 120.668 120.668 119.953 0.715 25524
154 1 5 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.276 0.204 25524
155 1 5 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.352 1.420 25524
156 1 5 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.420 0.875 25524
157 1 5 . 1 1 4 4 TRP H H 4 8.045 8.045 8.149 -0.104 25524
158 1 5 . 1 1 5 5 ALA N N 5 123.184 123.184 120.748 2.436 25524
159 1 5 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.351 -0.188 25524
160 1 5 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.810 1.320 25524
161 1 5 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.688 0.428 25524
162 1 5 . 1 1 5 5 ALA H H 5 8.024 8.024 8.095 -0.071 25524
163 1 5 . 1 1 6 6 VAL N N 6 117.130 117.130 118.701 -1.571 25524
164 1 5 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.638 0.152 25524
165 1 5 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.128 0.436 25524
166 1 5 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.972 2.228 25524
167 1 5 . 1 1 6 6 VAL H H 6 7.741 7.741 8.831 -1.090 25524
168 1 5 . 1 1 7 7 GLY N N 7 106.931 106.931 106.497 0.434 25524
169 1 5 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.077 0.047 25524
170 1 5 . 1 1 7 7 GLY H H 7 8.122 8.122 7.719 0.403 25524
171 1 5 . 1 1 8 8 HIS N N 8 115.776 115.776 118.327 -2.551 25524
172 1 5 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.561 -0.088 25524
173 1 5 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.777 1.460 25524
174 1 5 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.025 -1.572 25524
175 1 5 . 1 1 8 8 HIS H H 8 7.753 7.753 7.878 -0.125 25524
176 1 5 . 1 1 9 9 LEU N N 9 120.807 120.807 119.291 1.516 25524
177 1 5 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.182 0.147 25524
178 1 5 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.431 1.170 25524
179 1 5 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.343 1.224 25524
180 1 5 . 1 1 9 9 LEU H H 9 8.021 8.021 7.532 0.489 25524
181 1 6 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.995 -0.193 25524
182 1 6 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.145 1.382 25524
183 1 6 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.885 0.653 25524
184 1 6 . 1 1 3 3 HIS N N 3 119.480 119.480 121.927 -2.447 25524
185 1 6 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.688 -0.218 25524
186 1 6 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.568 2.233 25524
187 1 6 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.299 -1.706 25524
188 1 6 . 1 1 3 3 HIS H H 3 8.468 8.468 8.466 0.002 25524
189 1 6 . 1 1 4 4 TRP N N 4 120.668 120.668 122.002 -1.334 25524
190 1 6 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.330 0.150 25524
191 1 6 . 1 1 4 4 TRP CA C 4 60.772 60.772 61.206 -0.434 25524
192 1 6 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.678 0.617 25524
193 1 6 . 1 1 4 4 TRP H H 4 8.045 8.045 8.741 -0.696 25524
194 1 6 . 1 1 5 5 ALA N N 5 123.184 123.184 120.705 2.479 25524
195 1 6 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.253 -0.090 25524
196 1 6 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.185 0.945 25524
197 1 6 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.253 0.863 25524
198 1 6 . 1 1 5 5 ALA H H 5 8.024 8.024 8.897 -0.873 25524
199 1 6 . 1 1 6 6 VAL N N 6 117.130 117.130 118.392 -1.262 25524
200 1 6 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.679 0.111 25524
201 1 6 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.565 0.999 25524
202 1 6 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.350 1.850 25524
203 1 6 . 1 1 6 6 VAL H H 6 7.741 7.741 7.947 -0.206 25524
204 1 6 . 1 1 7 7 GLY N N 7 106.931 106.931 106.636 0.295 25524
205 1 6 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.867 0.257 25524
206 1 6 . 1 1 7 7 GLY H H 7 8.122 8.122 7.889 0.233 25524
207 1 6 . 1 1 8 8 HIS N N 8 115.776 115.776 120.441 -4.665 25524
208 1 6 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.626 -0.153 25524
209 1 6 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.081 2.156 25524
210 1 6 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.154 -1.701 25524
211 1 6 . 1 1 8 8 HIS H H 8 7.753 7.753 7.802 -0.049 25524
212 1 6 . 1 1 9 9 LEU N N 9 120.807 120.807 120.381 0.426 25524
213 1 6 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.159 0.170 25524
214 1 6 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.236 1.365 25524
215 1 6 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.288 1.278 25524
216 1 6 . 1 1 9 9 LEU H H 9 8.021 8.021 8.427 -0.406 25524
217 1 7 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.976 -0.174 25524
218 1 7 . 1 1 2 2 ASN CA C 2 54.527 54.527 51.937 2.590 25524
219 1 7 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.059 0.479 25524
220 1 7 . 1 1 3 3 HIS N N 3 119.480 119.480 118.746 0.734 25524
221 1 7 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.359 0.111 25524
222 1 7 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.814 -0.013 25524
223 1 7 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.154 -0.561 25524
224 1 7 . 1 1 3 3 HIS H H 3 8.468 8.468 8.490 -0.022 25524
225 1 7 . 1 1 4 4 TRP N N 4 120.668 120.668 120.271 0.397 25524
226 1 7 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.298 0.182 25524
227 1 7 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.303 0.469 25524
228 1 7 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.377 0.918 25524
229 1 7 . 1 1 4 4 TRP H H 4 8.045 8.045 8.401 -0.356 25524
230 1 7 . 1 1 5 5 ALA N N 5 123.184 123.184 121.370 1.814 25524
231 1 7 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.077 0.086 25524
232 1 7 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.748 1.382 25524
233 1 7 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.999 1.117 25524
234 1 7 . 1 1 5 5 ALA H H 5 8.024 8.024 7.828 0.196 25524
235 1 7 . 1 1 6 6 VAL N N 6 117.130 117.130 118.109 -0.979 25524
236 1 7 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.573 0.217 25524
237 1 7 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.845 0.719 25524
238 1 7 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.904 2.296 25524
239 1 7 . 1 1 6 6 VAL H H 6 7.741 7.741 7.482 0.259 25524
240 1 7 . 1 1 7 7 GLY N N 7 106.931 106.931 107.200 -0.269 25524
241 1 7 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.220 -0.096 25524
242 1 7 . 1 1 7 7 GLY H H 7 8.122 8.122 7.598 0.524 25524
243 1 7 . 1 1 8 8 HIS N N 8 115.776 115.776 118.346 -2.570 25524
244 1 7 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.575 -0.102 25524
245 1 7 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.257 1.980 25524
246 1 7 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.478 -1.025 25524
247 1 7 . 1 1 8 8 HIS H H 8 7.753 7.753 7.988 -0.235 25524
248 1 7 . 1 1 9 9 LEU N N 9 120.807 120.807 119.681 1.126 25524
249 1 7 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.168 0.162 25524
250 1 7 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.106 0.495 25524
251 1 7 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.406 1.161 25524
252 1 7 . 1 1 9 9 LEU H H 9 8.021 8.021 7.578 0.443 25524
253 1 8 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.908 -0.106 25524
254 1 8 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.527 2.000 25524
255 1 8 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.277 0.261 25524
256 1 8 . 1 1 3 3 HIS N N 3 119.480 119.480 120.175 -0.695 25524
257 1 8 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.296 0.174 25524
258 1 8 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.453 0.348 25524
259 1 8 . 1 1 3 3 HIS CB C 3 29.593 29.593 29.920 -0.327 25524
260 1 8 . 1 1 3 3 HIS H H 3 8.468 8.468 8.740 -0.272 25524
261 1 8 . 1 1 4 4 TRP N N 4 120.668 120.668 120.802 -0.134 25524
262 1 8 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.264 0.216 25524
263 1 8 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.270 0.502 25524
264 1 8 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.224 1.071 25524
265 1 8 . 1 1 4 4 TRP H H 4 8.045 8.045 8.389 -0.344 25524
266 1 8 . 1 1 5 5 ALA N N 5 123.184 123.184 119.592 3.592 25524
267 1 8 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.379 -0.216 25524
268 1 8 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.511 1.619 25524
269 1 8 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.835 0.281 25524
270 1 8 . 1 1 5 5 ALA H H 5 8.024 8.024 7.700 0.324 25524
271 1 8 . 1 1 6 6 VAL N N 6 117.130 117.130 118.675 -1.545 25524
272 1 8 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.680 0.110 25524
273 1 8 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.307 1.257 25524
274 1 8 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.588 2.612 25524
275 1 8 . 1 1 6 6 VAL H H 6 7.741 7.741 7.833 -0.092 25524
276 1 8 . 1 1 7 7 GLY N N 7 106.931 106.931 107.367 -0.436 25524
277 1 8 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.131 -0.007 25524
278 1 8 . 1 1 7 7 GLY H H 7 8.122 8.122 8.247 -0.125 25524
279 1 8 . 1 1 8 8 HIS N N 8 115.776 115.776 118.129 -2.353 25524
280 1 8 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.708 -0.235 25524
281 1 8 . 1 1 8 8 HIS CA C 8 59.237 59.237 55.886 3.351 25524
282 1 8 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.998 -1.545 25524
283 1 8 . 1 1 8 8 HIS H H 8 7.753 7.753 7.768 -0.015 25524
284 1 8 . 1 1 9 9 LEU N N 9 120.807 120.807 120.194 0.613 25524
285 1 8 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.149 0.180 25524
286 1 8 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.203 1.398 25524
287 1 8 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.207 1.360 25524
288 1 8 . 1 1 9 9 LEU H H 9 8.021 8.021 7.885 0.136 25524
289 1 9 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.932 -0.130 25524
290 1 9 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.648 1.879 25524
291 1 9 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.725 -0.187 25524
292 1 9 . 1 1 3 3 HIS N N 3 119.480 119.480 120.269 -0.789 25524
293 1 9 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.324 0.146 25524
294 1 9 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.518 -0.717 25524
295 1 9 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.058 -0.465 25524
296 1 9 . 1 1 3 3 HIS H H 3 8.468 8.468 8.540 -0.072 25524
297 1 9 . 1 1 4 4 TRP N N 4 120.668 120.668 119.498 1.170 25524
298 1 9 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.312 0.168 25524
299 1 9 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.710 1.062 25524
300 1 9 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.439 0.856 25524
301 1 9 . 1 1 4 4 TRP H H 4 8.045 8.045 8.257 -0.212 25524
302 1 9 . 1 1 5 5 ALA N N 5 123.184 123.184 122.124 1.060 25524
303 1 9 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.177 -0.014 25524
304 1 9 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.852 1.278 25524
305 1 9 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.226 0.890 25524
306 1 9 . 1 1 5 5 ALA H H 5 8.024 8.024 7.871 0.153 25524
307 1 9 . 1 1 6 6 VAL N N 6 117.130 117.130 118.007 -0.877 25524
308 1 9 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.639 0.151 25524
309 1 9 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.938 0.626 25524
310 1 9 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.030 2.170 25524
311 1 9 . 1 1 6 6 VAL H H 6 7.741 7.741 7.689 0.052 25524
312 1 9 . 1 1 7 7 GLY N N 7 106.931 106.931 107.490 -0.559 25524
313 1 9 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.339 -0.215 25524
314 1 9 . 1 1 7 7 GLY H H 7 8.122 8.122 7.654 0.468 25524
315 1 9 . 1 1 8 8 HIS N N 8 115.776 115.776 118.403 -2.627 25524
316 1 9 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.509 -0.036 25524
317 1 9 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.828 1.409 25524
318 1 9 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.325 -0.872 25524
319 1 9 . 1 1 8 8 HIS H H 8 7.753 7.753 7.843 -0.090 25524
320 1 9 . 1 1 9 9 LEU N N 9 120.807 120.807 119.864 0.943 25524
321 1 9 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.104 0.225 25524
322 1 9 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.088 0.513 25524
323 1 9 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.271 1.296 25524
324 1 9 . 1 1 9 9 LEU H H 9 8.021 8.021 7.575 0.446 25524
325 1 10 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.028 -0.226 25524
326 1 10 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.996 1.531 25524
327 1 10 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.976 0.562 25524
328 1 10 . 1 1 3 3 HIS N N 3 119.480 119.480 122.561 -3.081 25524
329 1 10 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.659 -0.189 25524
330 1 10 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.746 2.055 25524
331 1 10 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.061 -1.468 25524
332 1 10 . 1 1 3 3 HIS H H 3 8.468 8.468 8.646 -0.178 25524
333 1 10 . 1 1 4 4 TRP N N 4 120.668 120.668 121.843 -1.175 25524
334 1 10 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.263 0.217 25524
335 1 10 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.958 -0.186 25524
336 1 10 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.738 0.557 25524
337 1 10 . 1 1 4 4 TRP H H 4 8.045 8.045 8.665 -0.620 25524
338 1 10 . 1 1 5 5 ALA N N 5 123.184 123.184 120.746 2.438 25524
339 1 10 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.195 -0.032 25524
340 1 10 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.233 0.897 25524
341 1 10 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.958 1.158 25524
342 1 10 . 1 1 5 5 ALA H H 5 8.024 8.024 8.523 -0.499 25524
343 1 10 . 1 1 6 6 VAL N N 6 117.130 117.130 118.187 -1.057 25524
344 1 10 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.713 0.077 25524
345 1 10 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.093 0.471 25524
346 1 10 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.488 1.712 25524
347 1 10 . 1 1 6 6 VAL H H 6 7.741 7.741 7.583 0.158 25524
348 1 10 . 1 1 7 7 GLY N N 7 106.931 106.931 106.702 0.229 25524
349 1 10 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.081 0.043 25524
350 1 10 . 1 1 7 7 GLY H H 7 8.122 8.122 7.738 0.384 25524
351 1 10 . 1 1 8 8 HIS N N 8 115.776 115.776 119.186 -3.410 25524
352 1 10 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.615 -0.142 25524
353 1 10 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.905 2.332 25524
354 1 10 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.236 -1.783 25524
355 1 10 . 1 1 8 8 HIS H H 8 7.753 7.753 7.698 0.055 25524
356 1 10 . 1 1 9 9 LEU N N 9 120.807 120.807 119.998 0.809 25524
357 1 10 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.210 0.119 25524
358 1 10 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.274 1.327 25524
359 1 10 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.537 1.030 25524
360 1 10 . 1 1 9 9 LEU H H 9 8.021 8.021 8.124 -0.103 25524
361 1 11 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.923 -0.121 25524
362 1 11 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.661 1.866 25524
363 1 11 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.453 1.085 25524
364 1 11 . 1 1 3 3 HIS N N 3 119.480 119.480 121.955 -2.475 25524
365 1 11 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.677 -0.207 25524
366 1 11 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.033 2.768 25524
367 1 11 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.479 -1.886 25524
368 1 11 . 1 1 3 3 HIS H H 3 8.468 8.468 8.338 0.130 25524
369 1 11 . 1 1 4 4 TRP N N 4 120.668 120.668 121.668 -1.000 25524
370 1 11 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.162 0.318 25524
371 1 11 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.280 0.492 25524
372 1 11 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.733 0.562 25524
373 1 11 . 1 1 4 4 TRP H H 4 8.045 8.045 8.642 -0.597 25524
374 1 11 . 1 1 5 5 ALA N N 5 123.184 123.184 121.497 1.687 25524
375 1 11 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.231 -0.068 25524
376 1 11 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.959 1.171 25524
377 1 11 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.989 1.127 25524
378 1 11 . 1 1 5 5 ALA H H 5 8.024 8.024 8.583 -0.559 25524
379 1 11 . 1 1 6 6 VAL N N 6 117.130 117.130 117.580 -0.450 25524
380 1 11 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.834 -0.044 25524
381 1 11 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.197 1.367 25524
382 1 11 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.476 1.724 25524
383 1 11 . 1 1 6 6 VAL H H 6 7.741 7.741 7.258 0.483 25524
384 1 11 . 1 1 7 7 GLY N N 7 106.931 106.931 107.564 -0.633 25524
385 1 11 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.037 0.087 25524
386 1 11 . 1 1 7 7 GLY H H 7 8.122 8.122 7.800 0.322 25524
387 1 11 . 1 1 8 8 HIS N N 8 115.776 115.776 119.006 -3.230 25524
388 1 11 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.478 -0.005 25524
389 1 11 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.799 1.438 25524
390 1 11 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.969 -1.516 25524
391 1 11 . 1 1 8 8 HIS H H 8 7.753 7.753 7.657 0.096 25524
392 1 11 . 1 1 9 9 LEU N N 9 120.807 120.807 119.900 0.907 25524
393 1 11 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.134 0.195 25524
394 1 11 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.715 0.886 25524
395 1 11 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.553 1.014 25524
396 1 11 . 1 1 9 9 LEU H H 9 8.021 8.021 7.595 0.426 25524
397 1 12 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.026 -0.224 25524
398 1 12 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.260 1.267 25524
399 1 12 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.690 0.848 25524
400 1 12 . 1 1 3 3 HIS N N 3 119.480 119.480 122.533 -3.053 25524
401 1 12 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.679 -0.209 25524
402 1 12 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.558 2.243 25524
403 1 12 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.088 -1.495 25524
404 1 12 . 1 1 3 3 HIS H H 3 8.468 8.468 8.680 -0.212 25524
405 1 12 . 1 1 4 4 TRP N N 4 120.668 120.668 122.024 -1.356 25524
406 1 12 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.325 0.155 25524
407 1 12 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.847 -0.076 25524
408 1 12 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.688 0.607 25524
409 1 12 . 1 1 4 4 TRP H H 4 8.045 8.045 8.564 -0.519 25524
410 1 12 . 1 1 5 5 ALA N N 5 123.184 123.184 122.243 0.941 25524
411 1 12 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.205 -0.042 25524
412 1 12 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.920 1.210 25524
413 1 12 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.296 0.820 25524
414 1 12 . 1 1 5 5 ALA H H 5 8.024 8.024 8.360 -0.336 25524
415 1 12 . 1 1 6 6 VAL N N 6 117.130 117.130 117.850 -0.720 25524
416 1 12 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.648 0.142 25524
417 1 12 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.143 0.421 25524
418 1 12 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.193 2.007 25524
419 1 12 . 1 1 6 6 VAL H H 6 7.741 7.741 8.136 -0.395 25524
420 1 12 . 1 1 7 7 GLY N N 7 106.931 106.931 106.423 0.508 25524
421 1 12 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.025 0.099 25524
422 1 12 . 1 1 7 7 GLY H H 7 8.122 8.122 7.799 0.323 25524
423 1 12 . 1 1 8 8 HIS N N 8 115.776 115.776 119.422 -3.646 25524
424 1 12 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.602 -0.129 25524
425 1 12 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.136 2.101 25524
426 1 12 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.968 -1.515 25524
427 1 12 . 1 1 8 8 HIS H H 8 7.753 7.753 7.950 -0.197 25524
428 1 12 . 1 1 9 9 LEU N N 9 120.807 120.807 119.736 1.071 25524
429 1 12 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.151 0.178 25524
430 1 12 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.871 1.730 25524
431 1 12 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.335 1.232 25524
432 1 12 . 1 1 9 9 LEU H H 9 8.021 8.021 7.978 0.043 25524
433 1 13 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.002 -0.200 25524
434 1 13 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.017 1.510 25524
435 1 13 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.439 -0.901 25524
436 1 13 . 1 1 3 3 HIS N N 3 119.480 119.480 123.601 -4.121 25524
437 1 13 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.292 0.178 25524
438 1 13 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.818 -0.017 25524
439 1 13 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.079 -0.486 25524
440 1 13 . 1 1 3 3 HIS H H 3 8.468 8.468 8.842 -0.374 25524
441 1 13 . 1 1 4 4 TRP N N 4 120.668 120.668 120.556 0.112 25524
442 1 13 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.492 -0.012 25524
443 1 13 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.710 1.062 25524
444 1 13 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.427 0.868 25524
445 1 13 . 1 1 4 4 TRP H H 4 8.045 8.045 8.099 -0.054 25524
446 1 13 . 1 1 5 5 ALA N N 5 123.184 123.184 122.124 1.060 25524
447 1 13 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.096 0.067 25524
448 1 13 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.804 1.326 25524
449 1 13 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.921 1.196 25524
450 1 13 . 1 1 5 5 ALA H H 5 8.024 8.024 8.352 -0.328 25524
451 1 13 . 1 1 6 6 VAL N N 6 117.130 117.130 118.328 -1.198 25524
452 1 13 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.637 0.153 25524
453 1 13 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.048 0.516 25524
454 1 13 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.075 2.125 25524
455 1 13 . 1 1 6 6 VAL H H 6 7.741 7.741 7.748 -0.007 25524
456 1 13 . 1 1 7 7 GLY N N 7 106.931 106.931 106.443 0.488 25524
457 1 13 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.875 0.249 25524
458 1 13 . 1 1 7 7 GLY H H 7 8.122 8.122 7.884 0.238 25524
459 1 13 . 1 1 8 8 HIS N N 8 115.776 115.776 118.648 -2.872 25524
460 1 13 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.483 -0.010 25524
461 1 13 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.034 2.203 25524
462 1 13 . 1 1 8 8 HIS CB C 8 29.453 29.453 31.071 -1.618 25524
463 1 13 . 1 1 8 8 HIS H H 8 7.753 7.753 7.948 -0.195 25524
464 1 13 . 1 1 9 9 LEU N N 9 120.807 120.807 120.423 0.384 25524
465 1 13 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.054 0.275 25524
466 1 13 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.977 0.624 25524
467 1 13 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.324 1.243 25524
468 1 13 . 1 1 9 9 LEU H H 9 8.021 8.021 7.641 0.380 25524
469 1 14 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.886 -0.084 25524
470 1 14 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.331 2.196 25524
471 1 14 . 1 1 2 2 ASN CB C 2 39.538 39.538 41.281 -1.743 25524
472 1 14 . 1 1 3 3 HIS N N 3 119.480 119.480 120.535 -1.055 25524
473 1 14 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.269 0.201 25524
474 1 14 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.592 -0.791 25524
475 1 14 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.203 -0.610 25524
476 1 14 . 1 1 3 3 HIS H H 3 8.468 8.468 8.925 -0.457 25524
477 1 14 . 1 1 4 4 TRP N N 4 120.668 120.668 120.334 0.334 25524
478 1 14 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.094 0.386 25524
479 1 14 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.432 0.340 25524
480 1 14 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.386 0.909 25524
481 1 14 . 1 1 4 4 TRP H H 4 8.045 8.045 8.106 -0.061 25524
482 1 14 . 1 1 5 5 ALA N N 5 123.184 123.184 119.990 3.194 25524
483 1 14 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.273 -0.110 25524
484 1 14 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.605 1.526 25524
485 1 14 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.679 0.437 25524
486 1 14 . 1 1 5 5 ALA H H 5 8.024 8.024 7.486 0.538 25524
487 1 14 . 1 1 6 6 VAL N N 6 117.130 117.130 118.376 -1.246 25524
488 1 14 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.786 0.004 25524
489 1 14 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.473 1.091 25524
490 1 14 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.321 1.879 25524
491 1 14 . 1 1 6 6 VAL H H 6 7.741 7.741 7.807 -0.066 25524
492 1 14 . 1 1 7 7 GLY N N 7 106.931 106.931 108.144 -1.213 25524
493 1 14 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.044 0.080 25524
494 1 14 . 1 1 7 7 GLY H H 7 8.122 8.122 7.662 0.460 25524
495 1 14 . 1 1 8 8 HIS N N 8 115.776 115.776 118.369 -2.593 25524
496 1 14 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.507 -0.034 25524
497 1 14 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.166 3.071 25524
498 1 14 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.586 -1.133 25524
499 1 14 . 1 1 8 8 HIS H H 8 7.753 7.753 7.632 0.121 25524
500 1 14 . 1 1 9 9 LEU N N 9 120.807 120.807 119.746 1.061 25524
501 1 14 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.129 0.200 25524
502 1 14 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.917 1.684 25524
503 1 14 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.721 0.847 25524
504 1 14 . 1 1 9 9 LEU H H 9 8.021 8.021 7.625 0.396 25524
505 1 15 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.735 0.067 25524
506 1 15 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.342 1.185 25524
507 1 15 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.632 0.906 25524
508 1 15 . 1 1 3 3 HIS N N 3 119.480 119.480 123.956 -4.476 25524
509 1 15 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.623 -0.153 25524
510 1 15 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.354 2.447 25524
511 1 15 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.223 -1.630 25524
512 1 15 . 1 1 3 3 HIS H H 3 8.468 8.468 8.604 -0.136 25524
513 1 15 . 1 1 4 4 TRP N N 4 120.668 120.668 121.860 -1.192 25524
514 1 15 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.238 0.242 25524
515 1 15 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.818 -0.046 25524
516 1 15 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.644 0.651 25524
517 1 15 . 1 1 4 4 TRP H H 4 8.045 8.045 8.796 -0.751 25524
518 1 15 . 1 1 5 5 ALA N N 5 123.184 123.184 120.177 3.007 25524
519 1 15 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.120 0.043 25524
520 1 15 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.069 1.061 25524
521 1 15 . 1 1 5 5 ALA CB C 5 19.116 19.116 17.985 1.131 25524
522 1 15 . 1 1 5 5 ALA H H 5 8.024 8.024 8.304 -0.280 25524
523 1 15 . 1 1 6 6 VAL N N 6 117.130 117.130 119.163 -2.033 25524
524 1 15 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.686 0.104 25524
525 1 15 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.611 0.953 25524
526 1 15 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.267 1.933 25524
527 1 15 . 1 1 6 6 VAL H H 6 7.741 7.741 7.279 0.462 25524
528 1 15 . 1 1 7 7 GLY N N 7 106.931 106.931 106.806 0.125 25524
529 1 15 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.122 0.002 25524
530 1 15 . 1 1 7 7 GLY H H 7 8.122 8.122 7.770 0.352 25524
531 1 15 . 1 1 8 8 HIS N N 8 115.776 115.776 118.046 -2.270 25524
532 1 15 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.643 -0.170 25524
533 1 15 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.339 2.898 25524
534 1 15 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.991 -1.538 25524
535 1 15 . 1 1 8 8 HIS H H 8 7.753 7.753 7.688 0.065 25524
536 1 15 . 1 1 9 9 LEU N N 9 120.807 120.807 119.469 1.338 25524
537 1 15 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.223 0.106 25524
538 1 15 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.612 0.989 25524
539 1 15 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.578 0.989 25524
540 1 15 . 1 1 9 9 LEU H H 9 8.021 8.021 8.174 -0.153 25524
541 1 16 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.058 -0.256 25524
542 1 16 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.550 1.977 25524
543 1 16 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.120 0.418 25524
544 1 16 . 1 1 3 3 HIS N N 3 119.480 119.480 118.829 0.651 25524
545 1 16 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.516 -0.046 25524
546 1 16 . 1 1 3 3 HIS CA C 3 58.801 58.801 57.681 1.120 25524
547 1 16 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.518 -0.925 25524
548 1 16 . 1 1 3 3 HIS H H 3 8.468 8.468 8.568 -0.100 25524
549 1 16 . 1 1 4 4 TRP N N 4 120.668 120.668 120.449 0.219 25524
550 1 16 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.305 0.175 25524
551 1 16 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.493 0.279 25524
552 1 16 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.581 0.714 25524
553 1 16 . 1 1 4 4 TRP H H 4 8.045 8.045 8.395 -0.350 25524
554 1 16 . 1 1 5 5 ALA N N 5 123.184 123.184 121.276 1.908 25524
555 1 16 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.437 -0.274 25524
556 1 16 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.202 0.928 25524
557 1 16 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.115 1.001 25524
558 1 16 . 1 1 5 5 ALA H H 5 8.024 8.024 8.472 -0.448 25524
559 1 16 . 1 1 6 6 VAL N N 6 117.130 117.130 117.503 -0.373 25524
560 1 16 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.499 0.291 25524
561 1 16 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.945 0.619 25524
562 1 16 . 1 1 6 6 VAL CB C 6 33.200 33.200 30.933 2.267 25524
563 1 16 . 1 1 6 6 VAL H H 6 7.741 7.741 7.869 -0.128 25524
564 1 16 . 1 1 7 7 GLY N N 7 106.931 106.931 108.600 -1.669 25524
565 1 16 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.409 -0.285 25524
566 1 16 . 1 1 7 7 GLY H H 7 8.122 8.122 7.958 0.164 25524
567 1 16 . 1 1 8 8 HIS N N 8 115.776 115.776 119.282 -3.506 25524
568 1 16 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.588 -0.115 25524
569 1 16 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.583 2.654 25524
570 1 16 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.101 -0.648 25524
571 1 16 . 1 1 8 8 HIS H H 8 7.753 7.753 7.778 -0.025 25524
572 1 16 . 1 1 9 9 LEU N N 9 120.807 120.807 120.006 0.801 25524
573 1 16 . 1 1 9 9 LEU HA H 9 4.329 4.329 3.913 0.416 25524
574 1 16 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.936 0.665 25524
575 1 16 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.306 1.261 25524
576 1 16 . 1 1 9 9 LEU H H 9 8.021 8.021 7.825 0.196 25524
577 1 17 . 1 1 2 2 ASN HA H 2 4.802 4.802 5.188 -0.386 25524
578 1 17 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.283 1.244 25524
579 1 17 . 1 1 2 2 ASN CB C 2 39.538 39.538 40.439 -0.901 25524
580 1 17 . 1 1 3 3 HIS N N 3 119.480 119.480 122.107 -2.627 25524
581 1 17 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.674 -0.204 25524
582 1 17 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.161 2.640 25524
583 1 17 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.311 -1.718 25524
584 1 17 . 1 1 3 3 HIS H H 3 8.468 8.468 8.677 -0.209 25524
585 1 17 . 1 1 4 4 TRP N N 4 120.668 120.668 122.167 -1.499 25524
586 1 17 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.384 0.096 25524
587 1 17 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.075 0.697 25524
588 1 17 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.502 0.793 25524
589 1 17 . 1 1 4 4 TRP H H 4 8.045 8.045 8.452 -0.407 25524
590 1 17 . 1 1 5 5 ALA N N 5 123.184 123.184 120.194 2.990 25524
591 1 17 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.305 -0.142 25524
592 1 17 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.938 1.192 25524
593 1 17 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.098 1.018 25524
594 1 17 . 1 1 5 5 ALA H H 5 8.024 8.024 8.358 -0.334 25524
595 1 17 . 1 1 6 6 VAL N N 6 117.130 117.130 117.249 -0.119 25524
596 1 17 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.761 0.029 25524
597 1 17 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.064 1.500 25524
598 1 17 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.379 1.821 25524
599 1 17 . 1 1 6 6 VAL H H 6 7.741 7.741 7.780 -0.039 25524
600 1 17 . 1 1 7 7 GLY N N 7 106.931 106.931 107.307 -0.376 25524
601 1 17 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.969 0.155 25524
602 1 17 . 1 1 7 7 GLY H H 7 8.122 8.122 7.815 0.307 25524
603 1 17 . 1 1 8 8 HIS N N 8 115.776 115.776 119.987 -4.211 25524
604 1 17 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.458 0.015 25524
605 1 17 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.480 1.757 25524
606 1 17 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.553 -1.100 25524
607 1 17 . 1 1 8 8 HIS H H 8 7.753 7.753 7.523 0.230 25524
608 1 17 . 1 1 9 9 LEU N N 9 120.807 120.807 120.029 0.778 25524
609 1 17 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.114 0.215 25524
610 1 17 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.448 1.153 25524
611 1 17 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.381 1.186 25524
612 1 17 . 1 1 9 9 LEU H H 9 8.021 8.021 7.679 0.342 25524
613 1 18 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.971 -0.169 25524
614 1 18 . 1 1 2 2 ASN CA C 2 54.527 54.527 53.183 1.344 25524
615 1 18 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.227 0.311 25524
616 1 18 . 1 1 3 3 HIS N N 3 119.480 119.480 122.479 -2.999 25524
617 1 18 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.735 -0.265 25524
618 1 18 . 1 1 3 3 HIS CA C 3 58.801 58.801 56.227 2.574 25524
619 1 18 . 1 1 3 3 HIS CB C 3 29.593 29.593 31.272 -1.679 25524
620 1 18 . 1 1 3 3 HIS H H 3 8.468 8.468 8.522 -0.054 25524
621 1 18 . 1 1 4 4 TRP N N 4 120.668 120.668 122.419 -1.751 25524
622 1 18 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.445 0.035 25524
623 1 18 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.254 0.518 25524
624 1 18 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.551 0.744 25524
625 1 18 . 1 1 4 4 TRP H H 4 8.045 8.045 8.671 -0.626 25524
626 1 18 . 1 1 5 5 ALA N N 5 123.184 123.184 121.052 2.132 25524
627 1 18 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.285 -0.122 25524
628 1 18 . 1 1 5 5 ALA CA C 5 56.130 56.130 55.021 1.109 25524
629 1 18 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.412 0.704 25524
630 1 18 . 1 1 5 5 ALA H H 5 8.024 8.024 8.446 -0.422 25524
631 1 18 . 1 1 6 6 VAL N N 6 117.130 117.130 118.208 -1.078 25524
632 1 18 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.631 0.159 25524
633 1 18 . 1 1 6 6 VAL CA C 6 66.564 66.564 66.020 0.544 25524
634 1 18 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.287 1.913 25524
635 1 18 . 1 1 6 6 VAL H H 6 7.741 7.741 8.044 -0.303 25524
636 1 18 . 1 1 7 7 GLY N N 7 106.931 106.931 106.317 0.614 25524
637 1 18 . 1 1 7 7 GLY CA C 7 47.124 47.124 46.968 0.156 25524
638 1 18 . 1 1 7 7 GLY H H 7 8.122 8.122 7.776 0.346 25524
639 1 18 . 1 1 8 8 HIS N N 8 115.776 115.776 119.716 -3.940 25524
640 1 18 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.432 0.041 25524
641 1 18 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.998 2.240 25524
642 1 18 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.659 -1.206 25524
643 1 18 . 1 1 8 8 HIS H H 8 7.753 7.753 7.601 0.152 25524
644 1 18 . 1 1 9 9 LEU N N 9 120.807 120.807 119.945 0.862 25524
645 1 18 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.030 0.299 25524
646 1 18 . 1 1 9 9 LEU CA C 9 57.601 57.601 57.373 0.228 25524
647 1 18 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.379 1.188 25524
648 1 18 . 1 1 9 9 LEU H H 9 8.021 8.021 8.297 -0.276 25524
649 1 19 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.648 0.154 25524
650 1 19 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.583 1.944 25524
651 1 19 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.766 -0.228 25524
652 1 19 . 1 1 3 3 HIS N N 3 119.480 119.480 122.041 -2.561 25524
653 1 19 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.329 0.141 25524
654 1 19 . 1 1 3 3 HIS CA C 3 58.801 58.801 59.507 -0.706 25524
655 1 19 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.090 -0.497 25524
656 1 19 . 1 1 3 3 HIS H H 3 8.468 8.468 8.847 -0.379 25524
657 1 19 . 1 1 4 4 TRP N N 4 120.668 120.668 120.465 0.203 25524
658 1 19 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.593 -0.113 25524
659 1 19 . 1 1 4 4 TRP CA C 4 60.772 60.772 59.754 1.018 25524
660 1 19 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.515 0.780 25524
661 1 19 . 1 1 4 4 TRP H H 4 8.045 8.045 8.133 -0.088 25524
662 1 19 . 1 1 5 5 ALA N N 5 123.184 123.184 121.798 1.386 25524
663 1 19 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.266 -0.103 25524
664 1 19 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.828 1.302 25524
665 1 19 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.272 0.844 25524
666 1 19 . 1 1 5 5 ALA H H 5 8.024 8.024 8.498 -0.474 25524
667 1 19 . 1 1 6 6 VAL N N 6 117.130 117.130 118.164 -1.034 25524
668 1 19 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.719 0.071 25524
669 1 19 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.789 0.775 25524
670 1 19 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.098 2.103 25524
671 1 19 . 1 1 6 6 VAL H H 6 7.741 7.741 8.153 -0.412 25524
672 1 19 . 1 1 7 7 GLY N N 7 106.931 106.931 107.657 -0.726 25524
673 1 19 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.340 -0.216 25524
674 1 19 . 1 1 7 7 GLY H H 7 8.122 8.122 7.913 0.209 25524
675 1 19 . 1 1 8 8 HIS N N 8 115.776 115.776 118.493 -2.717 25524
676 1 19 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.567 -0.094 25524
677 1 19 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.410 1.827 25524
678 1 19 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.363 -0.910 25524
679 1 19 . 1 1 8 8 HIS H H 8 7.753 7.753 7.784 -0.031 25524
680 1 19 . 1 1 9 9 LEU N N 9 120.807 120.807 119.864 0.943 25524
681 1 19 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.204 0.125 25524
682 1 19 . 1 1 9 9 LEU CA C 9 57.601 57.601 55.912 1.689 25524
683 1 19 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.281 1.286 25524
684 1 19 . 1 1 9 9 LEU H H 9 8.021 8.021 7.483 0.538 25524
685 1 20 . 1 1 2 2 ASN HA H 2 4.802 4.802 4.920 -0.118 25524
686 1 20 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.773 1.754 25524
687 1 20 . 1 1 2 2 ASN CB C 2 39.538 39.538 38.450 1.088 25524
688 1 20 . 1 1 3 3 HIS N N 3 119.480 119.480 120.877 -1.397 25524
689 1 20 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.528 -0.058 25524
690 1 20 . 1 1 3 3 HIS CA C 3 58.801 58.801 58.810 -0.009 25524
691 1 20 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.332 -0.739 25524
692 1 20 . 1 1 3 3 HIS H H 3 8.468 8.468 8.734 -0.266 25524
693 1 20 . 1 1 4 4 TRP N N 4 120.668 120.668 121.541 -0.873 25524
694 1 20 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.312 0.168 25524
695 1 20 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.092 0.680 25524
696 1 20 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.277 1.018 25524
697 1 20 . 1 1 4 4 TRP H H 4 8.045 8.045 8.338 -0.293 25524
698 1 20 . 1 1 5 5 ALA N N 5 123.184 123.184 119.613 3.571 25524
699 1 20 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.218 -0.055 25524
700 1 20 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.635 1.495 25524
701 1 20 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.233 0.883 25524
702 1 20 . 1 1 5 5 ALA H H 5 8.024 8.024 8.641 -0.617 25524
703 1 20 . 1 1 6 6 VAL N N 6 117.130 117.130 117.267 -0.137 25524
704 1 20 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.850 -0.060 25524
705 1 20 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.179 1.385 25524
706 1 20 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.440 1.760 25524
707 1 20 . 1 1 6 6 VAL H H 6 7.741 7.741 7.703 0.038 25524
708 1 20 . 1 1 7 7 GLY N N 7 106.931 106.931 107.902 -0.971 25524
709 1 20 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.213 -0.089 25524
710 1 20 . 1 1 7 7 GLY H H 7 8.122 8.122 7.911 0.211 25524
711 1 20 . 1 1 8 8 HIS N N 8 115.776 115.776 118.250 -2.474 25524
712 1 20 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.429 0.044 25524
713 1 20 . 1 1 8 8 HIS CA C 8 59.237 59.237 56.793 2.444 25524
714 1 20 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.235 -0.782 25524
715 1 20 . 1 1 8 8 HIS H H 8 7.753 7.753 7.852 -0.099 25524
716 1 20 . 1 1 9 9 LEU N N 9 120.807 120.807 120.078 0.729 25524
717 1 20 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.195 0.134 25524
718 1 20 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.825 0.777 25524
719 1 20 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.631 0.936 25524
720 1 20 . 1 1 9 9 LEU H H 9 8.021 8.021 7.419 0.602 25524
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 7 2.411 0.813 2.451 25524
2 1 1 "Average Difference" HA 9 0.202 -0.067 0.202 25524
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25524
4 1 1 "Average Difference" CA 8 1.377 -1.165 0.785 25524
5 1 1 "Average Difference" CB 7 1.215 -0.409 1.235 25524
6 1 1 "Average Difference" HN 7 0.378 0.045 0.406 25524
7 1 2 "Average Difference" N 7 1.709 0.348 1.807 25524
8 1 2 "Average Difference" HA 9 0.237 -0.152 0.192 25524
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25524
10 1 2 "Average Difference" CA 8 1.188 -0.980 0.718 25524
11 1 2 "Average Difference" CB 7 1.109 -0.424 1.107 25524
12 1 2 "Average Difference" HN 7 0.320 -0.127 0.317 25524
13 1 3 "Average Difference" N 7 1.881 0.072 2.030 25524
14 1 3 "Average Difference" HA 9 0.208 -0.069 0.209 25524
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25524
16 1 3 "Average Difference" CA 8 1.113 -0.799 0.827 25524
17 1 3 "Average Difference" CB 7 1.090 -0.355 1.113 25524
18 1 3 "Average Difference" HN 7 0.295 0.004 0.319 25524
19 1 4 "Average Difference" N 7 1.769 0.458 1.845 25524
20 1 4 "Average Difference" HA 9 0.210 -0.058 0.214 25524
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25524
22 1 4 "Average Difference" CA 8 1.685 -1.422 0.966 25524
23 1 4 "Average Difference" CB 7 1.376 -0.451 1.404 25524
24 1 4 "Average Difference" HN 7 0.322 -0.022 0.347 25524
25 1 5 "Average Difference" N 7 2.021 0.327 2.154 25524
26 1 5 "Average Difference" HA 9 0.224 -0.099 0.213 25524
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25524
28 1 5 "Average Difference" CA 8 1.300 -0.860 1.043 25524
29 1 5 "Average Difference" CB 7 1.248 -0.434 1.264 25524
30 1 5 "Average Difference" HN 7 0.483 0.087 0.513 25524
31 1 6 "Average Difference" N 7 2.316 0.930 2.291 25524
32 1 6 "Average Difference" HA 9 0.162 -0.013 0.171 25524
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25524
34 1 6 "Average Difference" CA 8 1.394 -1.113 0.898 25524
35 1 6 "Average Difference" CB 7 1.331 -0.265 1.409 25524
36 1 6 "Average Difference" HN 7 0.465 0.285 0.396 25524
37 1 7 "Average Difference" N 7 1.357 -0.036 1.465 25524
38 1 7 "Average Difference" HA 9 0.180 -0.109 0.152 25524
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25524
40 1 7 "Average Difference" CA 8 1.300 -0.941 0.960 25524
41 1 7 "Average Difference" CB 7 1.213 -0.626 1.122 25524
42 1 7 "Average Difference" HN 7 0.329 -0.116 0.333 25524
43 1 8 "Average Difference" N 7 1.768 0.137 1.904 25524
44 1 8 "Average Difference" HA 9 0.173 -0.044 0.178 25524
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25524
46 1 8 "Average Difference" CA 8 1.649 -1.309 1.073 25524
47 1 8 "Average Difference" CB 7 1.334 -0.530 1.322 25524
48 1 8 "Average Difference" HN 7 0.220 0.055 0.230 25524
49 1 9 "Average Difference" N 7 1.309 0.240 1.390 25524
50 1 9 "Average Difference" HA 9 0.188 -0.123 0.151 25524
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25524
52 1 9 "Average Difference" CA 8 1.089 -0.729 0.865 25524
53 1 9 "Average Difference" CB 7 1.129 -0.527 1.079 25524
54 1 9 "Average Difference" HN 7 0.268 -0.106 0.266 25524
55 1 10 "Average Difference" N 7 2.079 0.750 2.095 25524
56 1 10 "Average Difference" HA 9 0.173 -0.028 0.181 25524
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25524
58 1 10 "Average Difference" CA 8 1.362 -1.059 0.915 25524
59 1 10 "Average Difference" CB 7 1.270 -0.253 1.345 25524
60 1 10 "Average Difference" HN 7 0.349 0.115 0.356 25524
61 1 11 "Average Difference" N 7 1.766 0.742 1.731 25524
62 1 11 "Average Difference" HA 9 0.210 -0.076 0.207 25524
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25524
64 1 11 "Average Difference" CA 8 1.478 -1.259 0.828 25524
65 1 11 "Average Difference" CB 7 1.343 -0.301 1.413 25524
66 1 11 "Average Difference" HN 7 0.416 -0.043 0.447 25524
67 1 12 "Average Difference" N 7 1.973 0.894 1.901 25524
68 1 12 "Average Difference" HA 9 0.169 -0.027 0.177 25524
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25524
70 1 12 "Average Difference" CA 8 1.401 -1.124 0.893 25524
71 1 12 "Average Difference" CB 7 1.300 -0.358 1.350 25524
72 1 12 "Average Difference" HN 7 0.323 0.185 0.286 25524
73 1 13 "Average Difference" N 7 2.007 0.878 1.949 25524
74 1 13 "Average Difference" HA 9 0.161 -0.088 0.143 25524
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25524
76 1 13 "Average Difference" CA 8 1.158 -0.934 0.732 25524
77 1 13 "Average Difference" CB 7 1.304 -0.346 1.358 25524
78 1 13 "Average Difference" HN 7 0.264 0.049 0.281 25524
79 1 14 "Average Difference" N 7 1.785 0.217 1.914 25524
80 1 14 "Average Difference" HA 9 0.212 -0.125 0.182 25524
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25524
82 1 14 "Average Difference" CA 8 1.634 -1.149 1.241 25524
83 1 14 "Average Difference" CB 7 1.193 -0.084 1.285 25524
84 1 14 "Average Difference" HN 7 0.356 -0.133 0.357 25524
85 1 15 "Average Difference" N 7 2.437 0.786 2.492 25524
86 1 15 "Average Difference" HA 9 0.168 -0.080 0.157 25524
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25524
88 1 15 "Average Difference" CA 8 1.533 -1.186 1.039 25524
89 1 15 "Average Difference" CB 7 1.323 -0.349 1.379 25524
90 1 15 "Average Difference" HN 7 0.383 0.063 0.408 25524
91 1 16 "Average Difference" N 7 1.689 0.281 1.799 25524
92 1 16 "Average Difference" HA 9 0.242 -0.066 0.247 25524
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25524
94 1 16 "Average Difference" CA 8 1.325 -0.995 0.936 25524
95 1 16 "Average Difference" CB 7 1.177 -0.584 1.103 25524
96 1 16 "Average Difference" HN 7 0.244 0.099 0.241 25524
97 1 17 "Average Difference" N 7 2.286 0.723 2.342 25524
98 1 17 "Average Difference" HA 9 0.224 -0.026 0.236 25524
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25524
100 1 17 "Average Difference" CA 8 1.463 -1.292 0.732 25524
101 1 17 "Average Difference" CB 7 1.274 -0.157 1.366 25524
102 1 17 "Average Difference" HN 7 0.289 0.016 0.312 25524
103 1 18 "Average Difference" N 7 2.217 0.880 2.198 25524
104 1 18 "Average Difference" HA 9 0.184 -0.040 0.190 25524
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25524
106 1 18 "Average Difference" CA 8 1.384 -1.089 0.913 25524
107 1 18 "Average Difference" CB 7 1.224 -0.282 1.287 25524
108 1 18 "Average Difference" HN 7 0.355 0.169 0.338 25524
109 1 19 "Average Difference" N 7 1.621 0.644 1.607 25524
110 1 19 "Average Difference" HA 9 0.148 -0.070 0.139 25524
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25524
112 1 19 "Average Difference" CA 8 1.315 -0.954 0.968 25524
113 1 19 "Average Difference" CB 7 1.103 -0.483 1.072 25524
114 1 19 "Average Difference" HN 7 0.355 0.091 0.370 25524
115 1 20 "Average Difference" N 7 1.816 0.222 1.947 25524
116 1 20 "Average Difference" HA 9 0.126 -0.048 0.124 25524
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25524
118 1 20 "Average Difference" CA 8 1.336 -1.055 0.877 25524
119 1 20 "Average Difference" CB 7 1.078 -0.595 0.971 25524
120 1 20 "Average Difference" HN 7 0.369 0.060 0.394 25524
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 25524
_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 ASN HA H 2 4.802 4.802 4.954 -0.152 25524
2 1 . 1 1 2 2 ASN CA C 2 54.527 54.527 52.854 1.673 25524
3 1 . 1 1 2 2 ASN CB C 2 39.538 39.538 39.389 0.149 25524
4 1 . 1 1 3 3 HIS N N 3 119.480 119.480 121.518 -2.038 25524
5 1 . 1 1 3 3 HIS HA H 3 4.470 4.470 4.503 -0.033 25524
6 1 . 1 1 3 3 HIS CA C 3 58.801 58.801 57.815 0.986 25524
7 1 . 1 1 3 3 HIS CB C 3 29.593 29.593 30.657 -1.064 25524
8 1 . 1 1 3 3 HIS H H 3 8.468 8.468 8.619 -0.151 25524
9 1 . 1 1 4 4 TRP N N 4 120.668 120.668 121.080 -0.412 25524
10 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.320 0.160 25524
11 1 . 1 1 4 4 TRP CA C 4 60.772 60.772 60.233 0.539 25524
12 1 . 1 1 4 4 TRP CB C 4 30.295 30.295 29.495 0.800 25524
13 1 . 1 1 4 4 TRP H H 4 8.045 8.045 8.428 -0.383 25524
14 1 . 1 1 5 5 ALA N N 5 123.184 123.184 120.953 2.231 25524
15 1 . 1 1 5 5 ALA HA H 5 4.163 4.163 4.244 -0.081 25524
16 1 . 1 1 5 5 ALA CA C 5 56.130 56.130 54.889 1.241 25524
17 1 . 1 1 5 5 ALA CB C 5 19.116 19.116 18.244 0.872 25524
18 1 . 1 1 5 5 ALA H H 5 8.024 8.024 8.237 -0.213 25524
19 1 . 1 1 6 6 VAL N N 6 117.130 117.130 118.127 -0.997 25524
20 1 . 1 1 6 6 VAL HA H 6 3.790 3.790 3.674 0.116 25524
21 1 . 1 1 6 6 VAL CA C 6 66.564 66.564 65.686 0.877 25524
22 1 . 1 1 6 6 VAL CB C 6 33.200 33.200 31.140 2.060 25524
23 1 . 1 1 6 6 VAL H H 6 7.741 7.741 7.837 -0.096 25524
24 1 . 1 1 7 7 GLY N N 7 106.931 106.931 107.164 -0.233 25524
25 1 . 1 1 7 7 GLY CA C 7 47.124 47.124 47.072 0.052 25524
26 1 . 1 1 7 7 GLY H H 7 8.122 8.122 7.783 0.339 25524
27 1 . 1 1 8 8 HIS N N 8 115.776 115.776 118.928 -3.152 25524
28 1 . 1 1 8 8 HIS HA H 8 4.473 4.473 4.549 -0.076 25524
29 1 . 1 1 8 8 HIS CA C 8 59.237 59.237 57.012 2.225 25524
30 1 . 1 1 8 8 HIS CB C 8 29.453 29.453 30.657 -1.204 25524
31 1 . 1 1 8 8 HIS H H 8 7.753 7.753 7.745 0.008 25524
32 1 . 1 1 9 9 LEU N N 9 120.807 120.807 119.812 0.995 25524
33 1 . 1 1 9 9 LEU HA H 9 4.329 4.329 4.128 0.201 25524
34 1 . 1 1 9 9 LEU CA C 9 57.601 57.601 56.629 0.972 25524
35 1 . 1 1 9 9 LEU CB C 9 43.567 43.567 42.446 1.121 25524
36 1 . 1 1 9 9 LEU H H 9 8.021 8.021 7.797 0.224 25524
stop_
save_