data_25523
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25523
_Entry.PDB_ID 2N0F
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 25523
_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 4.812 4.812 4.795 0.017 25523
2 1 1 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.836 1.293 25523
3 1 1 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.314 0.637 25523
4 1 1 . 1 1 3 3 HIS N N 3 120.049 120.049 119.732 0.317 25523
5 1 1 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.477 0.010 25523
6 1 1 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.479 2.241 25523
7 1 1 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.548 0.347 25523
8 1 1 . 1 1 3 3 HIS H H 3 8.419 8.419 7.960 0.459 25523
9 1 1 . 1 1 4 4 TRP N N 4 121.004 121.004 119.093 1.911 25523
10 1 1 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.520 0.005 25523
11 1 1 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.879 1.058 25523
12 1 1 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.732 1.541 25523
13 1 1 . 1 1 4 4 TRP H H 4 7.918 7.918 8.591 -0.673 25523
14 1 1 . 1 1 5 5 ALA N N 5 123.774 123.774 122.246 1.528 25523
15 1 1 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.492 0.706 25523
16 1 1 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.555 1.605 25523
17 1 1 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.454 1.909 25523
18 1 1 . 1 1 5 5 ALA H H 5 8.151 8.151 7.342 0.809 25523
19 1 1 . 1 1 6 6 VAL N N 6 117.022 117.022 116.336 0.686 25523
20 1 1 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.683 0.182 25523
21 1 1 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.887 0.868 25523
22 1 1 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.089 2.094 25523
23 1 1 . 1 1 6 6 VAL H H 6 7.683 7.683 7.517 0.166 25523
24 1 1 . 1 1 7 7 GLY N N 7 107.885 107.885 107.632 0.253 25523
25 1 1 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.519 0.521 25523
26 1 1 . 1 1 7 7 GLY H H 7 8.163 8.163 7.790 0.373 25523
27 1 1 . 1 1 8 8 HIS N N 8 116.927 116.927 120.074 -3.147 25523
28 1 1 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.408 0.129 25523
29 1 1 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.042 0.281 25523
30 1 1 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.368 -0.384 25523
31 1 1 . 1 1 8 8 HIS H H 8 7.918 7.918 7.834 0.084 25523
32 1 1 . 1 1 9 9 LEU N N 9 121.038 121.038 119.164 1.874 25523
33 1 1 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.045 0.269 25523
34 1 1 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.888 0.458 25523
35 1 1 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.292 1.185 25523
36 1 1 . 1 1 9 9 LEU H H 9 8.040 8.040 7.858 0.182 25523
37 1 2 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.365 0.447 25523
38 1 2 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.942 0.187 25523
39 1 2 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.296 1.655 25523
40 1 2 . 1 1 3 3 HIS N N 3 120.049 120.049 116.014 4.035 25523
41 1 2 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.421 0.066 25523
42 1 2 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.419 2.301 25523
43 1 2 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.371 0.524 25523
44 1 2 . 1 1 3 3 HIS H H 3 8.419 8.419 8.179 0.240 25523
45 1 2 . 1 1 4 4 TRP N N 4 121.004 121.004 118.732 2.272 25523
46 1 2 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.540 -0.015 25523
47 1 2 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.669 1.268 25523
48 1 2 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.869 1.404 25523
49 1 2 . 1 1 4 4 TRP H H 4 7.918 7.918 8.499 -0.581 25523
50 1 2 . 1 1 5 5 ALA N N 5 123.774 123.774 122.335 1.439 25523
51 1 2 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.502 0.696 25523
52 1 2 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.800 1.360 25523
53 1 2 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.385 1.978 25523
54 1 2 . 1 1 5 5 ALA H H 5 8.151 8.151 7.476 0.675 25523
55 1 2 . 1 1 6 6 VAL N N 6 117.022 117.022 116.339 0.683 25523
56 1 2 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.670 0.195 25523
57 1 2 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.984 0.771 25523
58 1 2 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.076 2.107 25523
59 1 2 . 1 1 6 6 VAL H H 6 7.683 7.683 7.534 0.149 25523
60 1 2 . 1 1 7 7 GLY N N 7 107.885 107.885 107.585 0.300 25523
61 1 2 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.553 0.487 25523
62 1 2 . 1 1 7 7 GLY H H 7 8.163 8.163 7.789 0.374 25523
63 1 2 . 1 1 8 8 HIS N N 8 116.927 116.927 119.983 -3.056 25523
64 1 2 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.424 0.113 25523
65 1 2 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.096 0.227 25523
66 1 2 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.460 -0.477 25523
67 1 2 . 1 1 8 8 HIS H H 8 7.918 7.918 7.834 0.084 25523
68 1 2 . 1 1 9 9 LEU N N 9 121.038 121.038 119.156 1.882 25523
69 1 2 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.114 0.200 25523
70 1 2 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.752 0.594 25523
71 1 2 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.353 1.125 25523
72 1 2 . 1 1 9 9 LEU H H 9 8.040 8.040 7.856 0.184 25523
73 1 3 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.964 -0.152 25523
74 1 3 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.751 1.378 25523
75 1 3 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.673 1.278 25523
76 1 3 . 1 1 3 3 HIS N N 3 120.049 120.049 120.008 0.041 25523
77 1 3 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.482 0.005 25523
78 1 3 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.248 2.471 25523
79 1 3 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.619 0.277 25523
80 1 3 . 1 1 3 3 HIS H H 3 8.419 8.419 8.195 0.224 25523
81 1 3 . 1 1 4 4 TRP N N 4 121.004 121.004 118.709 2.295 25523
82 1 3 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.547 -0.022 25523
83 1 3 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.572 1.365 25523
84 1 3 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.895 1.378 25523
85 1 3 . 1 1 4 4 TRP H H 4 7.918 7.918 8.484 -0.566 25523
86 1 3 . 1 1 5 5 ALA N N 5 123.774 123.774 122.346 1.428 25523
87 1 3 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.504 0.694 25523
88 1 3 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.786 1.374 25523
89 1 3 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.397 1.966 25523
90 1 3 . 1 1 5 5 ALA H H 5 8.151 8.151 7.477 0.674 25523
91 1 3 . 1 1 6 6 VAL N N 6 117.022 117.022 116.289 0.733 25523
92 1 3 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.669 0.196 25523
93 1 3 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.959 0.796 25523
94 1 3 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.070 2.113 25523
95 1 3 . 1 1 6 6 VAL H H 6 7.683 7.683 7.537 0.146 25523
96 1 3 . 1 1 7 7 GLY N N 7 107.885 107.885 107.629 0.256 25523
97 1 3 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.529 0.511 25523
98 1 3 . 1 1 7 7 GLY H H 7 8.163 8.163 7.779 0.384 25523
99 1 3 . 1 1 8 8 HIS N N 8 116.927 116.927 120.060 -3.133 25523
100 1 3 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.414 0.123 25523
101 1 3 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.065 0.258 25523
102 1 3 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.366 -0.382 25523
103 1 3 . 1 1 8 8 HIS H H 8 7.918 7.918 7.835 0.083 25523
104 1 3 . 1 1 9 9 LEU N N 9 121.038 121.038 119.306 1.732 25523
105 1 3 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.073 0.241 25523
106 1 3 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.908 0.438 25523
107 1 3 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.332 1.146 25523
108 1 3 . 1 1 9 9 LEU H H 9 8.040 8.040 7.869 0.171 25523
109 1 4 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.747 0.065 25523
110 1 4 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.435 1.694 25523
111 1 4 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.879 1.072 25523
112 1 4 . 1 1 3 3 HIS N N 3 120.049 120.049 119.132 0.917 25523
113 1 4 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.492 -0.005 25523
114 1 4 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.587 3.134 25523
115 1 4 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.537 0.358 25523
116 1 4 . 1 1 3 3 HIS H H 3 8.419 8.419 7.793 0.626 25523
117 1 4 . 1 1 4 4 TRP N N 4 121.004 121.004 119.011 1.993 25523
118 1 4 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.525 -0.000 25523
119 1 4 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.793 1.144 25523
120 1 4 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.754 1.519 25523
121 1 4 . 1 1 4 4 TRP H H 4 7.918 7.918 8.555 -0.637 25523
122 1 4 . 1 1 5 5 ALA N N 5 123.774 123.774 122.270 1.504 25523
123 1 4 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.488 0.710 25523
124 1 4 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.614 1.546 25523
125 1 4 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.423 1.940 25523
126 1 4 . 1 1 5 5 ALA H H 5 8.151 8.151 7.357 0.794 25523
127 1 4 . 1 1 6 6 VAL N N 6 117.022 117.022 116.382 0.640 25523
128 1 4 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.683 0.182 25523
129 1 4 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.913 0.842 25523
130 1 4 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.078 2.105 25523
131 1 4 . 1 1 6 6 VAL H H 6 7.683 7.683 7.528 0.155 25523
132 1 4 . 1 1 7 7 GLY N N 7 107.885 107.885 107.616 0.269 25523
133 1 4 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.516 0.524 25523
134 1 4 . 1 1 7 7 GLY H H 7 8.163 8.163 7.784 0.379 25523
135 1 4 . 1 1 8 8 HIS N N 8 116.927 116.927 120.052 -3.125 25523
136 1 4 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.411 0.126 25523
137 1 4 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.999 0.324 25523
138 1 4 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.358 -0.374 25523
139 1 4 . 1 1 8 8 HIS H H 8 7.918 7.918 7.829 0.089 25523
140 1 4 . 1 1 9 9 LEU N N 9 121.038 121.038 119.428 1.610 25523
141 1 4 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.050 0.264 25523
142 1 4 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.981 0.365 25523
143 1 4 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.317 1.161 25523
144 1 4 . 1 1 9 9 LEU H H 9 8.040 8.040 7.921 0.119 25523
145 1 5 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.802 0.010 25523
146 1 5 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.731 1.398 25523
147 1 5 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.561 1.390 25523
148 1 5 . 1 1 3 3 HIS N N 3 120.049 120.049 121.103 -1.054 25523
149 1 5 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.479 0.008 25523
150 1 5 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.974 1.746 25523
151 1 5 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.653 0.242 25523
152 1 5 . 1 1 3 3 HIS H H 3 8.419 8.419 7.914 0.505 25523
153 1 5 . 1 1 4 4 TRP N N 4 121.004 121.004 119.053 1.951 25523
154 1 5 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.504 0.021 25523
155 1 5 . 1 1 4 4 TRP CA C 4 59.937 59.937 59.025 0.912 25523
156 1 5 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.701 1.572 25523
157 1 5 . 1 1 4 4 TRP H H 4 7.918 7.918 8.589 -0.671 25523
158 1 5 . 1 1 5 5 ALA N N 5 123.774 123.774 122.210 1.564 25523
159 1 5 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.490 0.708 25523
160 1 5 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.546 1.614 25523
161 1 5 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.450 1.913 25523
162 1 5 . 1 1 5 5 ALA H H 5 8.151 8.151 7.337 0.814 25523
163 1 5 . 1 1 6 6 VAL N N 6 117.022 117.022 116.259 0.763 25523
164 1 5 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523
165 1 5 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.882 0.873 25523
166 1 5 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.094 2.089 25523
167 1 5 . 1 1 6 6 VAL H H 6 7.683 7.683 7.510 0.173 25523
168 1 5 . 1 1 7 7 GLY N N 7 107.885 107.885 107.615 0.270 25523
169 1 5 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.505 0.535 25523
170 1 5 . 1 1 7 7 GLY H H 7 8.163 8.163 7.789 0.374 25523
171 1 5 . 1 1 8 8 HIS N N 8 116.927 116.927 120.622 -3.695 25523
172 1 5 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.404 0.133 25523
173 1 5 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.946 0.377 25523
174 1 5 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.395 -0.411 25523
175 1 5 . 1 1 8 8 HIS H H 8 7.918 7.918 7.819 0.099 25523
176 1 5 . 1 1 9 9 LEU N N 9 121.038 121.038 118.628 2.410 25523
177 1 5 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.032 0.282 25523
178 1 5 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.870 0.476 25523
179 1 5 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.233 1.245 25523
180 1 5 . 1 1 9 9 LEU H H 9 8.040 8.040 7.884 0.156 25523
181 1 6 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.831 -0.019 25523
182 1 6 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.920 1.209 25523
183 1 6 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.372 0.579 25523
184 1 6 . 1 1 3 3 HIS N N 3 120.049 120.049 119.827 0.222 25523
185 1 6 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.488 -0.001 25523
186 1 6 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.506 2.214 25523
187 1 6 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.706 0.189 25523
188 1 6 . 1 1 3 3 HIS H H 3 8.419 8.419 8.494 -0.075 25523
189 1 6 . 1 1 4 4 TRP N N 4 121.004 121.004 119.034 1.970 25523
190 1 6 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.518 0.007 25523
191 1 6 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.886 1.051 25523
192 1 6 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.740 1.533 25523
193 1 6 . 1 1 4 4 TRP H H 4 7.918 7.918 8.601 -0.683 25523
194 1 6 . 1 1 5 5 ALA N N 5 123.774 123.774 122.190 1.584 25523
195 1 6 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.491 0.707 25523
196 1 6 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.559 1.601 25523
197 1 6 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.460 1.903 25523
198 1 6 . 1 1 5 5 ALA H H 5 8.151 8.151 7.341 0.810 25523
199 1 6 . 1 1 6 6 VAL N N 6 117.022 117.022 116.328 0.694 25523
200 1 6 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523
201 1 6 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.905 0.850 25523
202 1 6 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.091 2.092 25523
203 1 6 . 1 1 6 6 VAL H H 6 7.683 7.683 7.518 0.165 25523
204 1 6 . 1 1 7 7 GLY N N 7 107.885 107.885 107.617 0.268 25523
205 1 6 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.502 0.538 25523
206 1 6 . 1 1 7 7 GLY H H 7 8.163 8.163 7.782 0.381 25523
207 1 6 . 1 1 8 8 HIS N N 8 116.927 116.927 120.075 -3.148 25523
208 1 6 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.399 0.138 25523
209 1 6 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.995 0.328 25523
210 1 6 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.338 -0.354 25523
211 1 6 . 1 1 8 8 HIS H H 8 7.918 7.918 7.830 0.088 25523
212 1 6 . 1 1 9 9 LEU N N 9 121.038 121.038 119.460 1.578 25523
213 1 6 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.051 0.263 25523
214 1 6 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.907 0.439 25523
215 1 6 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.250 1.228 25523
216 1 6 . 1 1 9 9 LEU H H 9 8.040 8.040 7.881 0.159 25523
217 1 7 . 1 1 2 2 ASN HA H 2 4.812 4.812 5.375 -0.563 25523
218 1 7 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.512 1.617 25523
219 1 7 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.864 -0.913 25523
220 1 7 . 1 1 3 3 HIS N N 3 120.049 120.049 118.871 1.178 25523
221 1 7 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.812 -0.325 25523
222 1 7 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.456 3.264 25523
223 1 7 . 1 1 3 3 HIS CB C 3 30.895 30.895 32.182 -1.287 25523
224 1 7 . 1 1 3 3 HIS H H 3 8.419 8.419 8.601 -0.182 25523
225 1 7 . 1 1 4 4 TRP N N 4 121.004 121.004 119.425 1.579 25523
226 1 7 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.735 -0.210 25523
227 1 7 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.240 1.697 25523
228 1 7 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.406 0.867 25523
229 1 7 . 1 1 4 4 TRP H H 4 7.918 7.918 8.649 -0.731 25523
230 1 7 . 1 1 5 5 ALA N N 5 123.774 123.774 122.497 1.277 25523
231 1 7 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.502 0.696 25523
232 1 7 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.740 1.420 25523
233 1 7 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.407 1.956 25523
234 1 7 . 1 1 5 5 ALA H H 5 8.151 8.151 7.460 0.691 25523
235 1 7 . 1 1 6 6 VAL N N 6 117.022 117.022 115.980 1.042 25523
236 1 7 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.668 0.197 25523
237 1 7 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.877 0.878 25523
238 1 7 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.090 2.093 25523
239 1 7 . 1 1 6 6 VAL H H 6 7.683 7.683 7.508 0.175 25523
240 1 7 . 1 1 7 7 GLY N N 7 107.885 107.885 107.743 0.142 25523
241 1 7 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.432 0.608 25523
242 1 7 . 1 1 7 7 GLY H H 7 8.163 8.163 7.841 0.322 25523
243 1 7 . 1 1 8 8 HIS N N 8 116.927 116.927 121.029 -4.102 25523
244 1 7 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.298 0.239 25523
245 1 7 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.180 0.143 25523
246 1 7 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.151 -0.167 25523
247 1 7 . 1 1 8 8 HIS H H 8 7.918 7.918 7.936 -0.018 25523
248 1 7 . 1 1 9 9 LEU N N 9 121.038 121.038 118.064 2.974 25523
249 1 7 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.038 0.276 25523
250 1 7 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.793 0.553 25523
251 1 7 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.349 1.129 25523
252 1 7 . 1 1 9 9 LEU H H 9 8.040 8.040 7.925 0.115 25523
253 1 8 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.960 -0.148 25523
254 1 8 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.241 0.888 25523
255 1 8 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.236 -0.285 25523
256 1 8 . 1 1 3 3 HIS N N 3 120.049 120.049 116.269 3.780 25523
257 1 8 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.673 -0.186 25523
258 1 8 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.188 3.532 25523
259 1 8 . 1 1 3 3 HIS CB C 3 30.895 30.895 31.482 -0.587 25523
260 1 8 . 1 1 3 3 HIS H H 3 8.419 8.419 7.882 0.537 25523
261 1 8 . 1 1 4 4 TRP N N 4 121.004 121.004 119.722 1.282 25523
262 1 8 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.738 -0.213 25523
263 1 8 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.229 1.708 25523
264 1 8 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.343 0.930 25523
265 1 8 . 1 1 4 4 TRP H H 4 7.918 7.918 8.698 -0.780 25523
266 1 8 . 1 1 5 5 ALA N N 5 123.774 123.774 122.506 1.268 25523
267 1 8 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.498 0.700 25523
268 1 8 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.709 1.451 25523
269 1 8 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.453 1.910 25523
270 1 8 . 1 1 5 5 ALA H H 5 8.151 8.151 7.451 0.700 25523
271 1 8 . 1 1 6 6 VAL N N 6 117.022 117.022 116.034 0.988 25523
272 1 8 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.700 0.165 25523
273 1 8 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.007 0.748 25523
274 1 8 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.177 2.006 25523
275 1 8 . 1 1 6 6 VAL H H 6 7.683 7.683 7.565 0.118 25523
276 1 8 . 1 1 7 7 GLY N N 7 107.885 107.885 107.746 0.139 25523
277 1 8 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.498 0.542 25523
278 1 8 . 1 1 7 7 GLY H H 7 8.163 8.163 7.823 0.340 25523
279 1 8 . 1 1 8 8 HIS N N 8 116.927 116.927 120.089 -3.162 25523
280 1 8 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.357 0.180 25523
281 1 8 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.119 0.204 25523
282 1 8 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.314 -0.330 25523
283 1 8 . 1 1 8 8 HIS H H 8 7.918 7.918 7.924 -0.006 25523
284 1 8 . 1 1 9 9 LEU N N 9 121.038 121.038 118.836 2.202 25523
285 1 8 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.113 0.201 25523
286 1 8 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.572 0.774 25523
287 1 8 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.391 1.087 25523
288 1 8 . 1 1 9 9 LEU H H 9 8.040 8.040 7.808 0.232 25523
289 1 9 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.885 -0.073 25523
290 1 9 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.784 1.345 25523
291 1 9 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.728 0.223 25523
292 1 9 . 1 1 3 3 HIS N N 3 120.049 120.049 121.875 -1.826 25523
293 1 9 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.452 0.035 25523
294 1 9 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.643 2.077 25523
295 1 9 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.574 0.321 25523
296 1 9 . 1 1 3 3 HIS H H 3 8.419 8.419 8.649 -0.230 25523
297 1 9 . 1 1 4 4 TRP N N 4 121.004 121.004 118.747 2.257 25523
298 1 9 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.492 0.033 25523
299 1 9 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.980 0.957 25523
300 1 9 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.773 1.500 25523
301 1 9 . 1 1 4 4 TRP H H 4 7.918 7.918 8.595 -0.677 25523
302 1 9 . 1 1 5 5 ALA N N 5 123.774 123.774 121.947 1.827 25523
303 1 9 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.486 0.712 25523
304 1 9 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.495 1.665 25523
305 1 9 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.603 1.760 25523
306 1 9 . 1 1 5 5 ALA H H 5 8.151 8.151 7.320 0.831 25523
307 1 9 . 1 1 6 6 VAL N N 6 117.022 117.022 116.170 0.852 25523
308 1 9 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.710 0.155 25523
309 1 9 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.861 0.894 25523
310 1 9 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.145 2.038 25523
311 1 9 . 1 1 6 6 VAL H H 6 7.683 7.683 7.521 0.162 25523
312 1 9 . 1 1 7 7 GLY N N 7 107.885 107.885 107.608 0.277 25523
313 1 9 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.532 0.508 25523
314 1 9 . 1 1 7 7 GLY H H 7 8.163 8.163 7.805 0.358 25523
315 1 9 . 1 1 8 8 HIS N N 8 116.927 116.927 119.988 -3.061 25523
316 1 9 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.410 0.127 25523
317 1 9 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.970 0.353 25523
318 1 9 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.423 -0.439 25523
319 1 9 . 1 1 8 8 HIS H H 8 7.918 7.918 7.854 0.064 25523
320 1 9 . 1 1 9 9 LEU N N 9 121.038 121.038 119.187 1.851 25523
321 1 9 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.104 0.210 25523
322 1 9 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.600 0.746 25523
323 1 9 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.328 1.149 25523
324 1 9 . 1 1 9 9 LEU H H 9 8.040 8.040 7.880 0.160 25523
325 1 10 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.718 0.094 25523
326 1 10 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.395 1.734 25523
327 1 10 . 1 1 2 2 ASN CB C 2 39.951 39.951 37.329 2.622 25523
328 1 10 . 1 1 3 3 HIS N N 3 120.049 120.049 120.516 -0.467 25523
329 1 10 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.420 0.067 25523
330 1 10 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.489 2.231 25523
331 1 10 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.637 0.258 25523
332 1 10 . 1 1 3 3 HIS H H 3 8.419 8.419 7.669 0.750 25523
333 1 10 . 1 1 4 4 TRP N N 4 121.004 121.004 118.845 2.159 25523
334 1 10 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.496 0.029 25523
335 1 10 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.970 0.967 25523
336 1 10 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.677 1.596 25523
337 1 10 . 1 1 4 4 TRP H H 4 7.918 7.918 8.590 -0.672 25523
338 1 10 . 1 1 5 5 ALA N N 5 123.774 123.774 122.202 1.572 25523
339 1 10 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.479 0.719 25523
340 1 10 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.567 1.593 25523
341 1 10 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.429 1.934 25523
342 1 10 . 1 1 5 5 ALA H H 5 8.151 8.151 7.331 0.820 25523
343 1 10 . 1 1 6 6 VAL N N 6 117.022 117.022 116.181 0.841 25523
344 1 10 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.696 0.169 25523
345 1 10 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.030 0.725 25523
346 1 10 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.224 1.959 25523
347 1 10 . 1 1 6 6 VAL H H 6 7.683 7.683 7.593 0.090 25523
348 1 10 . 1 1 7 7 GLY N N 7 107.885 107.885 107.659 0.226 25523
349 1 10 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.481 0.559 25523
350 1 10 . 1 1 7 7 GLY H H 7 8.163 8.163 7.778 0.385 25523
351 1 10 . 1 1 8 8 HIS N N 8 116.927 116.927 120.149 -3.222 25523
352 1 10 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.358 0.179 25523
353 1 10 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.010 0.313 25523
354 1 10 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.285 -0.301 25523
355 1 10 . 1 1 8 8 HIS H H 8 7.918 7.918 7.855 0.063 25523
356 1 10 . 1 1 9 9 LEU N N 9 121.038 121.038 118.999 2.039 25523
357 1 10 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.074 0.240 25523
358 1 10 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.797 0.549 25523
359 1 10 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.348 1.130 25523
360 1 10 . 1 1 9 9 LEU H H 9 8.040 8.040 7.816 0.224 25523
361 1 11 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.881 -0.069 25523
362 1 11 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.754 1.375 25523
363 1 11 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.638 0.313 25523
364 1 11 . 1 1 3 3 HIS N N 3 120.049 120.049 120.206 -0.157 25523
365 1 11 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.523 -0.036 25523
366 1 11 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.496 2.224 25523
367 1 11 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.642 0.253 25523
368 1 11 . 1 1 3 3 HIS H H 3 8.419 8.419 8.029 0.390 25523
369 1 11 . 1 1 4 4 TRP N N 4 121.004 121.004 119.456 1.548 25523
370 1 11 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.572 -0.047 25523
371 1 11 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.834 1.103 25523
372 1 11 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.932 1.341 25523
373 1 11 . 1 1 4 4 TRP H H 4 7.918 7.918 8.513 -0.595 25523
374 1 11 . 1 1 5 5 ALA N N 5 123.774 123.774 122.487 1.287 25523
375 1 11 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.482 0.716 25523
376 1 11 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.913 1.247 25523
377 1 11 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.913 1.450 25523
378 1 11 . 1 1 5 5 ALA H H 5 8.151 8.151 6.930 1.221 25523
379 1 11 . 1 1 6 6 VAL N N 6 117.022 117.022 116.687 0.335 25523
380 1 11 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.679 0.186 25523
381 1 11 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.005 0.750 25523
382 1 11 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.084 2.099 25523
383 1 11 . 1 1 6 6 VAL H H 6 7.683 7.683 7.524 0.159 25523
384 1 11 . 1 1 7 7 GLY N N 7 107.885 107.885 107.423 0.462 25523
385 1 11 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.546 0.494 25523
386 1 11 . 1 1 7 7 GLY H H 7 8.163 8.163 7.867 0.296 25523
387 1 11 . 1 1 8 8 HIS N N 8 116.927 116.927 119.698 -2.771 25523
388 1 11 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.495 0.042 25523
389 1 11 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.583 0.740 25523
390 1 11 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.544 -0.560 25523
391 1 11 . 1 1 8 8 HIS H H 8 7.918 7.918 7.841 0.077 25523
392 1 11 . 1 1 9 9 LEU N N 9 121.038 121.038 119.843 1.195 25523
393 1 11 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.093 0.221 25523
394 1 11 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.626 0.720 25523
395 1 11 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.312 1.166 25523
396 1 11 . 1 1 9 9 LEU H H 9 8.040 8.040 7.923 0.117 25523
397 1 12 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.959 -0.147 25523
398 1 12 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.643 0.486 25523
399 1 12 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.514 0.437 25523
400 1 12 . 1 1 3 3 HIS N N 3 120.049 120.049 116.410 3.639 25523
401 1 12 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.669 -0.182 25523
402 1 12 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.240 3.480 25523
403 1 12 . 1 1 3 3 HIS CB C 3 30.895 30.895 32.034 -1.139 25523
404 1 12 . 1 1 3 3 HIS H H 3 8.419 8.419 8.402 0.017 25523
405 1 12 . 1 1 4 4 TRP N N 4 121.004 121.004 119.174 1.830 25523
406 1 12 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.684 -0.159 25523
407 1 12 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.741 1.196 25523
408 1 12 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.224 1.049 25523
409 1 12 . 1 1 4 4 TRP H H 4 7.918 7.918 8.699 -0.781 25523
410 1 12 . 1 1 5 5 ALA N N 5 123.774 123.774 122.113 1.661 25523
411 1 12 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.491 0.707 25523
412 1 12 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.387 1.773 25523
413 1 12 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.693 1.670 25523
414 1 12 . 1 1 5 5 ALA H H 5 8.151 8.151 7.311 0.840 25523
415 1 12 . 1 1 6 6 VAL N N 6 117.022 117.022 116.114 0.908 25523
416 1 12 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.675 0.190 25523
417 1 12 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.834 0.921 25523
418 1 12 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.101 2.082 25523
419 1 12 . 1 1 6 6 VAL H H 6 7.683 7.683 7.490 0.193 25523
420 1 12 . 1 1 7 7 GLY N N 7 107.885 107.885 107.652 0.233 25523
421 1 12 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.469 0.571 25523
422 1 12 . 1 1 7 7 GLY H H 7 8.163 8.163 7.821 0.342 25523
423 1 12 . 1 1 8 8 HIS N N 8 116.927 116.927 120.867 -3.940 25523
424 1 12 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.351 0.186 25523
425 1 12 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.954 0.369 25523
426 1 12 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.250 -0.266 25523
427 1 12 . 1 1 8 8 HIS H H 8 7.918 7.918 7.845 0.073 25523
428 1 12 . 1 1 9 9 LEU N N 9 121.038 121.038 118.428 2.610 25523
429 1 12 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.031 0.283 25523
430 1 12 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.823 0.523 25523
431 1 12 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.313 1.165 25523
432 1 12 . 1 1 9 9 LEU H H 9 8.040 8.040 7.911 0.129 25523
433 1 13 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.493 0.319 25523
434 1 13 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.230 0.899 25523
435 1 13 . 1 1 2 2 ASN CB C 2 39.951 39.951 37.711 2.240 25523
436 1 13 . 1 1 3 3 HIS N N 3 120.049 120.049 116.908 3.141 25523
437 1 13 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.380 0.107 25523
438 1 13 . 1 1 3 3 HIS CA C 3 58.720 58.720 57.058 1.662 25523
439 1 13 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.474 0.421 25523
440 1 13 . 1 1 3 3 HIS H H 3 8.419 8.419 8.072 0.346 25523
441 1 13 . 1 1 4 4 TRP N N 4 121.004 121.004 119.312 1.692 25523
442 1 13 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.561 -0.036 25523
443 1 13 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.991 0.946 25523
444 1 13 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.897 1.376 25523
445 1 13 . 1 1 4 4 TRP H H 4 7.918 7.918 8.556 -0.638 25523
446 1 13 . 1 1 5 5 ALA N N 5 123.774 123.774 122.545 1.229 25523
447 1 13 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523
448 1 13 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.857 1.303 25523
449 1 13 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.904 1.459 25523
450 1 13 . 1 1 5 5 ALA H H 5 8.151 8.151 6.858 1.293 25523
451 1 13 . 1 1 6 6 VAL N N 6 117.022 117.022 116.014 1.008 25523
452 1 13 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.679 0.186 25523
453 1 13 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.814 0.941 25523
454 1 13 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.090 2.093 25523
455 1 13 . 1 1 6 6 VAL H H 6 7.683 7.683 7.496 0.187 25523
456 1 13 . 1 1 7 7 GLY N N 7 107.885 107.885 107.715 0.170 25523
457 1 13 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.433 0.607 25523
458 1 13 . 1 1 7 7 GLY H H 7 8.163 8.163 7.777 0.386 25523
459 1 13 . 1 1 8 8 HIS N N 8 116.927 116.927 121.037 -4.110 25523
460 1 13 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.312 0.225 25523
461 1 13 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.169 0.155 25523
462 1 13 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.197 -0.213 25523
463 1 13 . 1 1 8 8 HIS H H 8 7.918 7.918 7.860 0.058 25523
464 1 13 . 1 1 9 9 LEU N N 9 121.038 121.038 118.094 2.944 25523
465 1 13 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.037 0.277 25523
466 1 13 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.833 0.513 25523
467 1 13 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.374 1.104 25523
468 1 13 . 1 1 9 9 LEU H H 9 8.040 8.040 7.919 0.121 25523
469 1 14 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.665 0.147 25523
470 1 14 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.303 1.827 25523
471 1 14 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.255 1.696 25523
472 1 14 . 1 1 3 3 HIS N N 3 120.049 120.049 120.516 -0.467 25523
473 1 14 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.512 -0.025 25523
474 1 14 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.521 2.199 25523
475 1 14 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.171 0.724 25523
476 1 14 . 1 1 3 3 HIS H H 3 8.419 8.419 7.942 0.477 25523
477 1 14 . 1 1 4 4 TRP N N 4 121.004 121.004 119.223 1.781 25523
478 1 14 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.507 0.018 25523
479 1 14 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.924 1.013 25523
480 1 14 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.674 1.599 25523
481 1 14 . 1 1 4 4 TRP H H 4 7.918 7.918 8.437 -0.519 25523
482 1 14 . 1 1 5 5 ALA N N 5 123.774 123.774 122.879 0.895 25523
483 1 14 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523
484 1 14 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.563 1.597 25523
485 1 14 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.274 2.089 25523
486 1 14 . 1 1 5 5 ALA H H 5 8.151 8.151 7.328 0.823 25523
487 1 14 . 1 1 6 6 VAL N N 6 117.022 117.022 116.520 0.502 25523
488 1 14 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.699 0.166 25523
489 1 14 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.088 0.667 25523
490 1 14 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.264 1.919 25523
491 1 14 . 1 1 6 6 VAL H H 6 7.683 7.683 7.646 0.037 25523
492 1 14 . 1 1 7 7 GLY N N 7 107.885 107.885 107.558 0.327 25523
493 1 14 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.507 0.533 25523
494 1 14 . 1 1 7 7 GLY H H 7 8.163 8.163 7.833 0.330 25523
495 1 14 . 1 1 8 8 HIS N N 8 116.927 116.927 120.042 -3.115 25523
496 1 14 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.388 0.149 25523
497 1 14 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.973 0.350 25523
498 1 14 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.365 -0.381 25523
499 1 14 . 1 1 8 8 HIS H H 8 7.918 7.918 7.839 0.079 25523
500 1 14 . 1 1 9 9 LEU N N 9 121.038 121.038 119.187 1.851 25523
501 1 14 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.094 0.220 25523
502 1 14 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.699 0.647 25523
503 1 14 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.305 1.173 25523
504 1 14 . 1 1 9 9 LEU H H 9 8.040 8.040 7.812 0.228 25523
505 1 15 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.684 0.128 25523
506 1 15 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.019 1.110 25523
507 1 15 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.883 1.069 25523
508 1 15 . 1 1 3 3 HIS N N 3 120.049 120.049 119.157 0.892 25523
509 1 15 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.412 0.075 25523
510 1 15 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.115 2.605 25523
511 1 15 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.565 0.330 25523
512 1 15 . 1 1 3 3 HIS H H 3 8.419 8.419 8.527 -0.108 25523
513 1 15 . 1 1 4 4 TRP N N 4 121.004 121.004 118.628 2.376 25523
514 1 15 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.509 0.016 25523
515 1 15 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.708 1.229 25523
516 1 15 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.870 1.403 25523
517 1 15 . 1 1 4 4 TRP H H 4 7.918 7.918 8.500 -0.582 25523
518 1 15 . 1 1 5 5 ALA N N 5 123.774 123.774 122.221 1.553 25523
519 1 15 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.494 0.704 25523
520 1 15 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.784 1.376 25523
521 1 15 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.356 2.007 25523
522 1 15 . 1 1 5 5 ALA H H 5 8.151 8.151 7.450 0.701 25523
523 1 15 . 1 1 6 6 VAL N N 6 117.022 117.022 116.040 0.982 25523
524 1 15 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.670 0.195 25523
525 1 15 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.927 0.828 25523
526 1 15 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.083 2.100 25523
527 1 15 . 1 1 6 6 VAL H H 6 7.683 7.683 7.499 0.184 25523
528 1 15 . 1 1 7 7 GLY N N 7 107.885 107.885 107.415 0.470 25523
529 1 15 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.507 0.533 25523
530 1 15 . 1 1 7 7 GLY H H 7 8.163 8.163 7.820 0.343 25523
531 1 15 . 1 1 8 8 HIS N N 8 116.927 116.927 120.489 -3.562 25523
532 1 15 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.450 0.087 25523
533 1 15 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.685 0.638 25523
534 1 15 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.499 -0.515 25523
535 1 15 . 1 1 8 8 HIS H H 8 7.918 7.918 7.751 0.167 25523
536 1 15 . 1 1 9 9 LEU N N 9 121.038 121.038 118.716 2.322 25523
537 1 15 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.029 0.285 25523
538 1 15 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.929 0.416 25523
539 1 15 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.304 1.174 25523
540 1 15 . 1 1 9 9 LEU H H 9 8.040 8.040 7.934 0.106 25523
541 1 16 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.993 -0.181 25523
542 1 16 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.485 1.644 25523
543 1 16 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.111 1.840 25523
544 1 16 . 1 1 3 3 HIS N N 3 120.049 120.049 122.281 -2.232 25523
545 1 16 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.491 -0.004 25523
546 1 16 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.791 1.929 25523
547 1 16 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.850 0.045 25523
548 1 16 . 1 1 3 3 HIS H H 3 8.419 8.419 8.700 -0.281 25523
549 1 16 . 1 1 4 4 TRP N N 4 121.004 121.004 119.083 1.921 25523
550 1 16 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.523 0.002 25523
551 1 16 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.630 1.307 25523
552 1 16 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.841 1.432 25523
553 1 16 . 1 1 4 4 TRP H H 4 7.918 7.918 8.587 -0.669 25523
554 1 16 . 1 1 5 5 ALA N N 5 123.774 123.774 122.239 1.535 25523
555 1 16 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.470 0.728 25523
556 1 16 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.722 1.438 25523
557 1 16 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.387 1.976 25523
558 1 16 . 1 1 5 5 ALA H H 5 8.151 8.151 7.438 0.713 25523
559 1 16 . 1 1 6 6 VAL N N 6 117.022 117.022 116.001 1.021 25523
560 1 16 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.694 0.171 25523
561 1 16 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.098 0.657 25523
562 1 16 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.226 1.957 25523
563 1 16 . 1 1 6 6 VAL H H 6 7.683 7.683 7.584 0.099 25523
564 1 16 . 1 1 7 7 GLY N N 7 107.885 107.885 107.648 0.237 25523
565 1 16 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.476 0.564 25523
566 1 16 . 1 1 7 7 GLY H H 7 8.163 8.163 7.790 0.373 25523
567 1 16 . 1 1 8 8 HIS N N 8 116.927 116.927 120.124 -3.197 25523
568 1 16 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.359 0.178 25523
569 1 16 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.870 0.453 25523
570 1 16 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.287 -0.303 25523
571 1 16 . 1 1 8 8 HIS H H 8 7.918 7.918 7.857 0.061 25523
572 1 16 . 1 1 9 9 LEU N N 9 121.038 121.038 119.140 1.898 25523
573 1 16 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.088 0.226 25523
574 1 16 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.739 0.607 25523
575 1 16 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.358 1.120 25523
576 1 16 . 1 1 9 9 LEU H H 9 8.040 8.040 7.810 0.230 25523
577 1 17 . 1 1 2 2 ASN HA H 2 4.812 4.812 5.083 -0.271 25523
578 1 17 . 1 1 2 2 ASN CA C 2 54.129 54.129 53.476 0.653 25523
579 1 17 . 1 1 2 2 ASN CB C 2 39.951 39.951 40.524 -0.573 25523
580 1 17 . 1 1 3 3 HIS N N 3 120.049 120.049 121.277 -1.228 25523
581 1 17 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.716 -0.229 25523
582 1 17 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.239 3.481 25523
583 1 17 . 1 1 3 3 HIS CB C 3 30.895 30.895 31.218 -0.324 25523
584 1 17 . 1 1 3 3 HIS H H 3 8.419 8.419 8.437 -0.018 25523
585 1 17 . 1 1 4 4 TRP N N 4 121.004 121.004 119.116 1.888 25523
586 1 17 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.587 -0.062 25523
587 1 17 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.101 1.836 25523
588 1 17 . 1 1 4 4 TRP CB C 4 30.273 30.273 29.286 0.987 25523
589 1 17 . 1 1 4 4 TRP H H 4 7.918 7.918 7.990 -0.072 25523
590 1 17 . 1 1 5 5 ALA N N 5 123.774 123.774 121.957 1.817 25523
591 1 17 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.468 0.730 25523
592 1 17 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.825 1.335 25523
593 1 17 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.615 1.748 25523
594 1 17 . 1 1 5 5 ALA H H 5 8.151 8.151 7.179 0.972 25523
595 1 17 . 1 1 6 6 VAL N N 6 117.022 117.022 116.066 0.956 25523
596 1 17 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.710 0.155 25523
597 1 17 . 1 1 6 6 VAL CA C 6 65.755 65.755 65.145 0.610 25523
598 1 17 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.235 1.948 25523
599 1 17 . 1 1 6 6 VAL H H 6 7.683 7.683 7.653 0.030 25523
600 1 17 . 1 1 7 7 GLY N N 7 107.885 107.885 107.768 0.117 25523
601 1 17 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.437 0.603 25523
602 1 17 . 1 1 7 7 GLY H H 7 8.163 8.163 7.699 0.464 25523
603 1 17 . 1 1 8 8 HIS N N 8 116.927 116.927 120.132 -3.205 25523
604 1 17 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.338 0.199 25523
605 1 17 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.328 -0.005 25523
606 1 17 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.242 -0.258 25523
607 1 17 . 1 1 8 8 HIS H H 8 7.918 7.918 7.908 0.010 25523
608 1 17 . 1 1 9 9 LEU N N 9 121.038 121.038 118.591 2.447 25523
609 1 17 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.144 0.170 25523
610 1 17 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.432 0.914 25523
611 1 17 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.406 1.072 25523
612 1 17 . 1 1 9 9 LEU H H 9 8.040 8.040 7.750 0.290 25523
613 1 18 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.898 -0.086 25523
614 1 18 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.730 1.399 25523
615 1 18 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.801 0.150 25523
616 1 18 . 1 1 3 3 HIS N N 3 120.049 120.049 120.492 -0.443 25523
617 1 18 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.502 -0.015 25523
618 1 18 . 1 1 3 3 HIS CA C 3 58.720 58.720 55.785 2.935 25523
619 1 18 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.714 0.181 25523
620 1 18 . 1 1 3 3 HIS H H 3 8.419 8.419 8.488 -0.069 25523
621 1 18 . 1 1 4 4 TRP N N 4 121.004 121.004 118.820 2.184 25523
622 1 18 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.499 0.026 25523
623 1 18 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.650 1.287 25523
624 1 18 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.750 1.524 25523
625 1 18 . 1 1 4 4 TRP H H 4 7.918 7.918 8.512 -0.594 25523
626 1 18 . 1 1 5 5 ALA N N 5 123.774 123.774 122.125 1.649 25523
627 1 18 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.448 0.750 25523
628 1 18 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.603 1.557 25523
629 1 18 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.369 1.994 25523
630 1 18 . 1 1 5 5 ALA H H 5 8.151 8.151 7.321 0.830 25523
631 1 18 . 1 1 6 6 VAL N N 6 117.022 117.022 116.191 0.831 25523
632 1 18 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.681 0.184 25523
633 1 18 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.877 0.878 25523
634 1 18 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.083 2.100 25523
635 1 18 . 1 1 6 6 VAL H H 6 7.683 7.683 7.484 0.199 25523
636 1 18 . 1 1 7 7 GLY N N 7 107.885 107.885 107.415 0.470 25523
637 1 18 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.480 0.561 25523
638 1 18 . 1 1 7 7 GLY H H 7 8.163 8.163 7.869 0.294 25523
639 1 18 . 1 1 8 8 HIS N N 8 116.927 116.927 119.978 -3.051 25523
640 1 18 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.432 0.105 25523
641 1 18 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.478 0.845 25523
642 1 18 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.321 -0.337 25523
643 1 18 . 1 1 8 8 HIS H H 8 7.918 7.918 7.848 0.070 25523
644 1 18 . 1 1 9 9 LEU N N 9 121.038 121.038 119.904 1.134 25523
645 1 18 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.027 0.287 25523
646 1 18 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.952 0.394 25523
647 1 18 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.107 1.371 25523
648 1 18 . 1 1 9 9 LEU H H 9 8.040 8.040 7.838 0.202 25523
649 1 19 . 1 1 2 2 ASN HA H 2 4.812 4.812 4.869 -0.057 25523
650 1 19 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.360 1.769 25523
651 1 19 . 1 1 2 2 ASN CB C 2 39.951 39.951 38.659 1.292 25523
652 1 19 . 1 1 3 3 HIS N N 3 120.049 120.049 119.221 0.828 25523
653 1 19 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.469 0.018 25523
654 1 19 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.590 2.130 25523
655 1 19 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.556 0.339 25523
656 1 19 . 1 1 3 3 HIS H H 3 8.419 8.419 8.202 0.217 25523
657 1 19 . 1 1 4 4 TRP N N 4 121.004 121.004 119.001 2.003 25523
658 1 19 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.521 0.004 25523
659 1 19 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.685 1.252 25523
660 1 19 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.836 1.437 25523
661 1 19 . 1 1 4 4 TRP H H 4 7.918 7.918 8.573 -0.655 25523
662 1 19 . 1 1 5 5 ALA N N 5 123.774 123.774 122.210 1.564 25523
663 1 19 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.489 0.709 25523
664 1 19 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.724 1.436 25523
665 1 19 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.386 1.977 25523
666 1 19 . 1 1 5 5 ALA H H 5 8.151 8.151 7.444 0.707 25523
667 1 19 . 1 1 6 6 VAL N N 6 117.022 117.022 115.807 1.215 25523
668 1 19 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.675 0.190 25523
669 1 19 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.864 0.891 25523
670 1 19 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.085 2.098 25523
671 1 19 . 1 1 6 6 VAL H H 6 7.683 7.683 7.505 0.178 25523
672 1 19 . 1 1 7 7 GLY N N 7 107.885 107.885 107.744 0.141 25523
673 1 19 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.378 0.662 25523
674 1 19 . 1 1 7 7 GLY H H 7 8.163 8.163 7.776 0.387 25523
675 1 19 . 1 1 8 8 HIS N N 8 116.927 116.927 120.293 -3.366 25523
676 1 19 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.291 0.246 25523
677 1 19 . 1 1 8 8 HIS CA C 8 58.323 58.323 58.044 0.279 25523
678 1 19 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.089 -0.105 25523
679 1 19 . 1 1 8 8 HIS H H 8 7.918 7.918 7.912 0.006 25523
680 1 19 . 1 1 9 9 LEU N N 9 121.038 121.038 119.224 1.814 25523
681 1 19 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.037 0.277 25523
682 1 19 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.815 0.531 25523
683 1 19 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.115 1.363 25523
684 1 19 . 1 1 9 9 LEU H H 9 8.040 8.040 7.838 0.202 25523
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 1.692 -0.489 1.749 25523
2 1 1 "Average Difference" HA 9 0.263 -0.144 0.233 25523
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25523
4 1 1 "Average Difference" CA 8 1.210 -1.041 0.659 25523
5 1 1 "Average Difference" CB 7 1.336 -1.047 0.895 25523
6 1 1 "Average Difference" HN 7 0.467 -0.200 0.455 25523
7 1 2 "Average Difference" N 7 2.298 -1.079 2.191 25523
8 1 2 "Average Difference" HA 9 0.295 -0.186 0.242 25523
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25523
10 1 2 "Average Difference" CA 8 1.119 -0.899 0.712 25523
11 1 2 "Average Difference" CB 7 1.455 -1.188 0.908 25523
12 1 2 "Average Difference" HN 7 0.388 -0.161 0.382 25523
13 1 3 "Average Difference" N 7 1.721 -0.479 1.785 25523
14 1 3 "Average Difference" HA 9 0.262 -0.120 0.247 25523
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25523
16 1 3 "Average Difference" CA 8 1.270 -1.074 0.725 25523
17 1 3 "Average Difference" CB 7 1.383 -1.111 0.891 25523
18 1 3 "Average Difference" HN 7 0.383 -0.159 0.377 25523
19 1 4 "Average Difference" N 7 1.687 -0.544 1.724 25523
20 1 4 "Average Difference" HA 9 0.264 -0.146 0.234 25523
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25523
22 1 4 "Average Difference" CA 8 1.484 -1.196 0.938 25523
23 1 4 "Average Difference" CB 7 1.377 -1.112 0.877 25523
24 1 4 "Average Difference" HN 7 0.481 -0.218 0.463 25523
25 1 5 "Average Difference" N 7 1.981 -0.316 2.113 25523
26 1 5 "Average Difference" HA 9 0.266 -0.145 0.236 25523
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25523
28 1 5 "Average Difference" CA 8 1.110 -0.991 0.534 25523
29 1 5 "Average Difference" CB 7 1.425 -1.149 0.910 25523
30 1 5 "Average Difference" HN 7 0.474 -0.207 0.461 25523
31 1 6 "Average Difference" N 7 1.664 -0.453 1.730 25523
32 1 6 "Average Difference" HA 9 0.263 -0.139 0.238 25523
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25523
34 1 6 "Average Difference" CA 8 1.191 -1.029 0.641 25523
35 1 6 "Average Difference" CB 7 1.328 -1.024 0.914 25523
36 1 6 "Average Difference" HN 7 0.436 -0.121 0.453 25523
37 1 7 "Average Difference" N 7 2.148 -0.584 2.232 25523
38 1 7 "Average Difference" HA 9 0.354 -0.029 0.374 25523
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25523
40 1 7 "Average Difference" CA 8 1.566 -1.272 0.977 25523
41 1 7 "Average Difference" CB 7 1.350 -0.525 1.343 25523
42 1 7 "Average Difference" HN 7 0.413 -0.053 0.442 25523
43 1 8 "Average Difference" N 7 2.184 -0.928 2.135 25523
44 1 8 "Average Difference" HA 9 0.278 -0.073 0.284 25523
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25523
46 1 8 "Average Difference" CA 8 1.572 -1.231 1.046 25523
47 1 8 "Average Difference" CB 7 1.210 -0.676 1.084 25523
48 1 8 "Average Difference" HN 7 0.474 -0.163 0.481 25523
49 1 9 "Average Difference" N 7 1.904 -0.311 2.028 25523
50 1 9 "Average Difference" HA 9 0.259 -0.127 0.239 25523
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25523
52 1 9 "Average Difference" CA 8 1.201 -1.068 0.588 25523
53 1 9 "Average Difference" CB 7 1.263 -0.936 0.916 25523
54 1 9 "Average Difference" HN 7 0.445 -0.095 0.469 25523
55 1 10 "Average Difference" N 7 1.799 -0.450 1.881 25523
56 1 10 "Average Difference" HA 9 0.269 -0.159 0.231 25523
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25523
58 1 10 "Average Difference" CA 8 1.260 -1.084 0.686 25523
59 1 10 "Average Difference" CB 7 1.623 -1.314 1.029 25523
60 1 10 "Average Difference" HN 7 0.521 -0.237 0.501 25523
61 1 11 "Average Difference" N 7 1.389 -0.271 1.472 25523
62 1 11 "Average Difference" HA 9 0.261 -0.103 0.254 25523
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25523
64 1 11 "Average Difference" CA 8 1.198 -1.082 0.551 25523
65 1 11 "Average Difference" CB 7 1.204 -0.866 0.903 25523
66 1 11 "Average Difference" HN 7 0.552 -0.238 0.538 25523
67 1 12 "Average Difference" N 7 2.466 -0.992 2.439 25523
68 1 12 "Average Difference" HA 9 0.286 -0.090 0.287 25523
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25523
70 1 12 "Average Difference" CA 8 1.521 -1.165 1.045 25523
71 1 12 "Average Difference" CB 7 1.261 -0.714 1.123 25523
72 1 12 "Average Difference" HN 7 0.462 -0.116 0.483 25523
73 1 13 "Average Difference" N 7 2.416 -0.868 2.435 25523
74 1 13 "Average Difference" HA 9 0.295 -0.192 0.237 25523
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25523
76 1 13 "Average Difference" CA 8 0.982 -0.878 0.468 25523
77 1 13 "Average Difference" CB 7 1.457 -1.211 0.874 25523
78 1 13 "Average Difference" HN 7 0.586 -0.250 0.572 25523
79 1 14 "Average Difference" N 7 1.589 -0.253 1.695 25523
80 1 14 "Average Difference" HA 9 0.264 -0.144 0.234 25523
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25523
82 1 14 "Average Difference" CA 8 1.276 -1.104 0.683 25523
83 1 14 "Average Difference" CB 7 1.489 -1.260 0.858 25523
84 1 14 "Average Difference" HN 7 0.438 -0.208 0.416 25523
85 1 15 "Average Difference" N 7 2.004 -0.719 2.021 25523
86 1 15 "Average Difference" HA 9 0.269 -0.154 0.234 25523
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25523
88 1 15 "Average Difference" CA 8 1.273 -1.092 0.700 25523
89 1 15 "Average Difference" CB 7 1.379 -1.081 0.924 25523
90 1 15 "Average Difference" HN 7 0.384 -0.116 0.396 25523
91 1 16 "Average Difference" N 7 1.925 -0.169 2.072 25523
92 1 16 "Average Difference" HA 9 0.275 -0.114 0.265 25523
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25523
94 1 16 "Average Difference" CA 8 1.200 -1.075 0.571 25523
95 1 16 "Average Difference" CB 7 1.440 -1.152 0.933 25523
96 1 16 "Average Difference" HN 7 0.421 -0.075 0.448 25523
97 1 17 "Average Difference" N 7 1.911 -0.399 2.019 25523
98 1 17 "Average Difference" HA 9 0.290 -0.077 0.296 25523
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25523
100 1 17 "Average Difference" CA 8 1.552 -1.178 1.080 25523
101 1 17 "Average Difference" CB 7 1.163 -0.657 1.037 25523
102 1 17 "Average Difference" HN 7 0.423 -0.239 0.376 25523
103 1 18 "Average Difference" N 7 1.656 -0.396 1.736 25523
104 1 18 "Average Difference" HA 9 0.282 -0.121 0.269 25523
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25523
106 1 18 "Average Difference" CA 8 1.441 -1.232 0.799 25523
107 1 18 "Average Difference" CB 7 1.350 -0.997 0.982 25523
108 1 18 "Average Difference" HN 7 0.417 -0.133 0.427 25523
109 1 19 "Average Difference" N 7 1.823 -0.600 1.859 25523
110 1 19 "Average Difference" HA 9 0.276 -0.143 0.250 25523
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25523
112 1 19 "Average Difference" CA 8 1.269 -1.119 0.641 25523
113 1 19 "Average Difference" CB 7 1.415 -1.200 0.811 25523
114 1 19 "Average Difference" HN 7 0.414 -0.149 0.417 25523
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 25523
_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 4.812 4.812 4.840 -0.028 25523
2 1 . 1 1 2 2 ASN CA C 2 54.129 54.129 52.871 1.258 25523
3 1 . 1 1 2 2 ASN CB C 2 39.951 39.951 39.071 0.880 25523
4 1 . 1 1 3 3 HIS N N 3 120.049 120.049 119.464 0.585 25523
5 1 . 1 1 3 3 HIS HA H 3 4.487 4.487 4.519 -0.032 25523
6 1 . 1 1 3 3 HIS CA C 3 58.720 58.720 56.201 2.519 25523
7 1 . 1 1 3 3 HIS CB C 3 30.895 30.895 30.818 0.077 25523
8 1 . 1 1 3 3 HIS H H 3 8.419 8.419 8.218 0.201 25523
9 1 . 1 1 4 4 TRP N N 4 121.004 121.004 119.062 1.942 25523
10 1 . 1 1 4 4 TRP HA H 4 4.525 4.525 4.557 -0.032 25523
11 1 . 1 1 4 4 TRP CA C 4 59.937 59.937 58.711 1.226 25523
12 1 . 1 1 4 4 TRP CB C 4 30.273 30.273 28.905 1.368 25523
13 1 . 1 1 4 4 TRP H H 4 7.918 7.918 8.538 -0.620 25523
14 1 . 1 1 5 5 ALA N N 5 123.774 123.774 122.291 1.483 25523
15 1 . 1 1 5 5 ALA HA H 5 4.198 4.198 3.487 0.711 25523
16 1 . 1 1 5 5 ALA CA C 5 55.160 55.160 53.671 1.489 25523
17 1 . 1 1 5 5 ALA CB C 5 19.363 19.363 17.493 1.870 25523
18 1 . 1 1 5 5 ALA H H 5 8.151 8.151 7.324 0.827 25523
19 1 . 1 1 6 6 VAL N N 6 117.022 117.022 116.197 0.825 25523
20 1 . 1 1 6 6 VAL HA H 6 3.865 3.865 3.684 0.181 25523
21 1 . 1 1 6 6 VAL CA C 6 65.755 65.755 64.945 0.810 25523
22 1 . 1 1 6 6 VAL CB C 6 33.183 33.183 31.126 2.057 25523
23 1 . 1 1 6 6 VAL H H 6 7.683 7.683 7.537 0.146 25523
24 1 . 1 1 7 7 GLY N N 7 107.885 107.885 107.620 0.265 25523
25 1 . 1 1 7 7 GLY CA C 7 47.040 47.040 46.489 0.551 25523
26 1 . 1 1 7 7 GLY H H 7 8.163 8.163 7.801 0.362 25523
27 1 . 1 1 8 8 HIS N N 8 116.927 116.927 120.252 -3.325 25523
28 1 . 1 1 8 8 HIS HA H 8 4.537 4.537 4.384 0.153 25523
29 1 . 1 1 8 8 HIS CA C 8 58.323 58.323 57.974 0.349 25523
30 1 . 1 1 8 8 HIS CB C 8 29.984 29.984 30.329 -0.345 25523
31 1 . 1 1 8 8 HIS H H 8 7.918 7.918 7.853 0.065 25523
32 1 . 1 1 9 9 LEU N N 9 121.038 121.038 119.019 2.019 25523
33 1 . 1 1 9 9 LEU HA H 9 4.314 4.314 4.067 0.247 25523
34 1 . 1 1 9 9 LEU CA C 9 57.346 57.346 56.785 0.561 25523
35 1 . 1 1 9 9 LEU CB C 9 43.478 43.478 42.305 1.173 25523
36 1 . 1 1 9 9 LEU H H 9 8.040 8.040 7.865 0.175 25523
stop_
save_