data_25525
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25525
_Entry.PDB_ID 2N0H
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 25525
_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 N N 2 117.210 117.210 117.496 -0.286 25525
2 1 1 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.987 -0.310 25525
3 1 1 . 1 1 2 2 ASN CA C 2 53.638 53.638 54.524 -0.886 25525
4 1 1 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.050 -0.056 25525
5 1 1 . 1 1 2 2 ASN H H 2 8.651 8.651 8.952 -0.301 25525
6 1 1 . 1 1 3 3 HIS N N 3 116.338 116.338 116.817 -0.479 25525
7 1 1 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.573 0.171 25525
8 1 1 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.586 0.437 25525
9 1 1 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.759 -2.988 25525
10 1 1 . 1 1 3 3 HIS H H 3 8.572 8.572 7.989 0.583 25525
11 1 1 . 1 1 4 4 TRP N N 4 120.903 120.903 127.900 -6.997 25525
12 1 1 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.783 -0.359 25525
13 1 1 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.873 1.716 25525
14 1 1 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.124 0.202 25525
15 1 1 . 1 1 4 4 TRP H H 4 8.243 8.243 8.302 -0.059 25525
16 1 1 . 1 1 5 5 ALA N N 5 123.802 123.802 123.656 0.146 25525
17 1 1 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.094 0.052 25525
18 1 1 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.669 -0.766 25525
19 1 1 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.127 0.232 25525
20 1 1 . 1 1 5 5 ALA H H 5 8.468 8.468 8.157 0.311 25525
21 1 1 . 1 1 6 6 VAL N N 6 118.392 118.392 117.750 0.642 25525
22 1 1 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.865 -0.112 25525
23 1 1 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.639 0.403 25525
24 1 1 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.874 0.005 25525
25 1 1 . 1 1 6 6 VAL H H 6 8.030 8.030 8.044 -0.014 25525
26 1 1 . 1 1 7 7 GLY N N 7 108.913 108.913 106.853 2.060 25525
27 1 1 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.362 -0.112 25525
28 1 1 . 1 1 7 7 GLY H H 7 8.382 8.382 7.811 0.571 25525
29 1 1 . 1 1 8 8 HIS N N 8 116.605 116.605 119.669 -3.064 25525
30 1 1 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.241 0.161 25525
31 1 1 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.457 -1.877 25525
32 1 1 . 1 1 8 8 HIS CB C 8 28.210 28.210 29.982 -1.772 25525
33 1 1 . 1 1 8 8 HIS H H 8 7.982 7.982 7.114 0.868 25525
34 1 1 . 1 1 9 9 LEU N N 9 119.102 119.102 118.651 0.451 25525
35 1 1 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.138 0.131 25525
36 1 1 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.162 0.349 25525
37 1 1 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.619 -0.197 25525
38 1 1 . 1 1 9 9 LEU H H 9 8.170 8.170 7.651 0.519 25525
39 1 2 . 1 1 2 2 ASN N N 2 117.210 117.210 118.996 -1.786 25525
40 1 2 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.847 -0.170 25525
41 1 2 . 1 1 2 2 ASN CA C 2 53.638 53.638 54.060 -0.422 25525
42 1 2 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.299 -0.305 25525
43 1 2 . 1 1 2 2 ASN H H 2 8.651 8.651 8.827 -0.176 25525
44 1 2 . 1 1 3 3 HIS N N 3 116.338 116.338 116.739 -0.401 25525
45 1 2 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.587 0.157 25525
46 1 2 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.737 0.286 25525
47 1 2 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.810 -3.039 25525
48 1 2 . 1 1 3 3 HIS H H 3 8.572 8.572 7.935 0.637 25525
49 1 2 . 1 1 4 4 TRP N N 4 120.903 120.903 127.990 -7.087 25525
50 1 2 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.884 -0.460 25525
51 1 2 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.740 1.849 25525
52 1 2 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.415 -0.089 25525
53 1 2 . 1 1 4 4 TRP H H 4 8.243 8.243 8.682 -0.439 25525
54 1 2 . 1 1 5 5 ALA N N 5 123.802 123.802 124.512 -0.710 25525
55 1 2 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.259 -0.113 25525
56 1 2 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.678 -0.775 25525
57 1 2 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.358 0.001 25525
58 1 2 . 1 1 5 5 ALA H H 5 8.468 8.468 8.773 -0.305 25525
59 1 2 . 1 1 6 6 VAL N N 6 118.392 118.392 117.966 0.426 25525
60 1 2 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.637 0.116 25525
61 1 2 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.524 0.518 25525
62 1 2 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.369 0.510 25525
63 1 2 . 1 1 6 6 VAL H H 6 8.030 8.030 8.072 -0.042 25525
64 1 2 . 1 1 7 7 GLY N N 7 108.913 108.913 106.210 2.703 25525
65 1 2 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.439 -0.189 25525
66 1 2 . 1 1 7 7 GLY H H 7 8.382 8.382 7.685 0.697 25525
67 1 2 . 1 1 8 8 HIS N N 8 116.605 116.605 119.573 -2.968 25525
68 1 2 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.342 0.060 25525
69 1 2 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.506 -1.926 25525
70 1 2 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.333 -2.123 25525
71 1 2 . 1 1 8 8 HIS H H 8 7.982 7.982 7.403 0.579 25525
72 1 2 . 1 1 9 9 LEU N N 9 119.102 119.102 118.175 0.927 25525
73 1 2 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.284 -0.015 25525
74 1 2 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.736 0.775 25525
75 1 2 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.811 -0.389 25525
76 1 2 . 1 1 9 9 LEU H H 9 8.170 8.170 7.514 0.656 25525
77 1 3 . 1 1 2 2 ASN N N 2 117.210 117.210 117.631 -0.421 25525
78 1 3 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.797 -0.120 25525
79 1 3 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.792 0.846 25525
80 1 3 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.942 0.052 25525
81 1 3 . 1 1 2 2 ASN H H 2 8.651 8.651 8.523 0.128 25525
82 1 3 . 1 1 3 3 HIS N N 3 116.338 116.338 119.526 -3.188 25525
83 1 3 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.723 0.021 25525
84 1 3 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.712 0.312 25525
85 1 3 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.346 -2.575 25525
86 1 3 . 1 1 3 3 HIS H H 3 8.572 8.572 8.119 0.453 25525
87 1 3 . 1 1 4 4 TRP N N 4 120.903 120.903 127.275 -6.372 25525
88 1 3 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.689 -0.265 25525
89 1 3 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.453 1.136 25525
90 1 3 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.259 0.066 25525
91 1 3 . 1 1 4 4 TRP H H 4 8.243 8.243 8.737 -0.494 25525
92 1 3 . 1 1 5 5 ALA N N 5 123.802 123.802 123.553 0.249 25525
93 1 3 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.153 -0.007 25525
94 1 3 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.722 -0.819 25525
95 1 3 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.320 0.039 25525
96 1 3 . 1 1 5 5 ALA H H 5 8.468 8.468 8.548 -0.080 25525
97 1 3 . 1 1 6 6 VAL N N 6 118.392 118.392 118.049 0.343 25525
98 1 3 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.773 -0.020 25525
99 1 3 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.260 0.782 25525
100 1 3 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.141 0.738 25525
101 1 3 . 1 1 6 6 VAL H H 6 8.030 8.030 8.251 -0.221 25525
102 1 3 . 1 1 7 7 GLY N N 7 108.913 108.913 104.556 4.357 25525
103 1 3 . 1 1 7 7 GLY CA C 7 46.250 46.250 44.585 1.665 25525
104 1 3 . 1 1 7 7 GLY H H 7 8.382 8.382 7.427 0.955 25525
105 1 3 . 1 1 8 8 HIS N N 8 116.605 116.605 117.773 -1.168 25525
106 1 3 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.443 -0.041 25525
107 1 3 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.657 -1.077 25525
108 1 3 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.925 -2.715 25525
109 1 3 . 1 1 8 8 HIS H H 8 7.982 7.982 7.518 0.464 25525
110 1 3 . 1 1 9 9 LEU N N 9 119.102 119.102 119.193 -0.091 25525
111 1 3 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.323 -0.054 25525
112 1 3 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.662 0.849 25525
113 1 3 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.644 -0.222 25525
114 1 3 . 1 1 9 9 LEU H H 9 8.170 8.170 7.784 0.386 25525
115 1 4 . 1 1 2 2 ASN N N 2 117.210 117.210 118.479 -1.269 25525
116 1 4 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.692 -0.015 25525
117 1 4 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.962 -0.324 25525
118 1 4 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.998 -0.004 25525
119 1 4 . 1 1 2 2 ASN H H 2 8.651 8.651 8.349 0.302 25525
120 1 4 . 1 1 3 3 HIS N N 3 116.338 116.338 114.894 1.444 25525
121 1 4 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.664 0.080 25525
122 1 4 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.899 0.124 25525
123 1 4 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.078 -2.307 25525
124 1 4 . 1 1 3 3 HIS H H 3 8.572 8.572 7.876 0.696 25525
125 1 4 . 1 1 4 4 TRP N N 4 120.903 120.903 129.136 -8.233 25525
126 1 4 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.684 -0.260 25525
127 1 4 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.136 1.453 25525
128 1 4 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.220 0.106 25525
129 1 4 . 1 1 4 4 TRP H H 4 8.243 8.243 8.978 -0.735 25525
130 1 4 . 1 1 5 5 ALA N N 5 123.802 123.802 124.597 -0.795 25525
131 1 4 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.237 -0.091 25525
132 1 4 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.786 -0.883 25525
133 1 4 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.189 0.170 25525
134 1 4 . 1 1 5 5 ALA H H 5 8.468 8.468 8.707 -0.239 25525
135 1 4 . 1 1 6 6 VAL N N 6 118.392 118.392 118.242 0.150 25525
136 1 4 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.632 0.121 25525
137 1 4 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.958 0.084 25525
138 1 4 . 1 1 6 6 VAL CB C 6 31.879 31.879 30.816 1.063 25525
139 1 4 . 1 1 6 6 VAL H H 6 8.030 8.030 8.159 -0.129 25525
140 1 4 . 1 1 7 7 GLY N N 7 108.913 108.913 105.794 3.119 25525
141 1 4 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.075 0.175 25525
142 1 4 . 1 1 7 7 GLY H H 7 8.382 8.382 7.726 0.656 25525
143 1 4 . 1 1 8 8 HIS N N 8 116.605 116.605 119.515 -2.910 25525
144 1 4 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.413 -0.011 25525
145 1 4 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.383 -1.803 25525
146 1 4 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.605 -2.395 25525
147 1 4 . 1 1 8 8 HIS H H 8 7.982 7.982 7.469 0.513 25525
148 1 4 . 1 1 9 9 LEU N N 9 119.102 119.102 118.488 0.614 25525
149 1 4 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.343 -0.074 25525
150 1 4 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.175 0.336 25525
151 1 4 . 1 1 9 9 LEU CB C 9 42.422 42.422 43.093 -0.671 25525
152 1 4 . 1 1 9 9 LEU H H 9 8.170 8.170 8.323 -0.153 25525
153 1 5 . 1 1 2 2 ASN N N 2 117.210 117.210 121.986 -4.776 25525
154 1 5 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.854 -0.177 25525
155 1 5 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.273 0.365 25525
156 1 5 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.321 0.673 25525
157 1 5 . 1 1 2 2 ASN H H 2 8.651 8.651 8.725 -0.074 25525
158 1 5 . 1 1 3 3 HIS N N 3 116.338 116.338 119.943 -3.605 25525
159 1 5 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.575 0.169 25525
160 1 5 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.012 0.011 25525
161 1 5 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.965 -3.194 25525
162 1 5 . 1 1 3 3 HIS H H 3 8.572 8.572 8.134 0.438 25525
163 1 5 . 1 1 4 4 TRP N N 4 120.903 120.903 127.665 -6.762 25525
164 1 5 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.841 -0.417 25525
165 1 5 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.775 1.814 25525
166 1 5 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.523 -0.197 25525
167 1 5 . 1 1 4 4 TRP H H 4 8.243 8.243 8.740 -0.497 25525
168 1 5 . 1 1 5 5 ALA N N 5 123.802 123.802 124.769 -0.967 25525
169 1 5 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.280 -0.134 25525
170 1 5 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.731 -0.828 25525
171 1 5 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.335 0.024 25525
172 1 5 . 1 1 5 5 ALA H H 5 8.468 8.468 8.767 -0.299 25525
173 1 5 . 1 1 6 6 VAL N N 6 118.392 118.392 118.707 -0.315 25525
174 1 5 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.590 0.163 25525
175 1 5 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.893 0.149 25525
176 1 5 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.284 0.595 25525
177 1 5 . 1 1 6 6 VAL H H 6 8.030 8.030 8.176 -0.146 25525
178 1 5 . 1 1 7 7 GLY N N 7 108.913 108.913 105.710 3.203 25525
179 1 5 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.396 -0.146 25525
180 1 5 . 1 1 7 7 GLY H H 7 8.382 8.382 7.700 0.682 25525
181 1 5 . 1 1 8 8 HIS N N 8 116.605 116.605 119.503 -2.898 25525
182 1 5 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.479 -0.077 25525
183 1 5 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.320 -1.740 25525
184 1 5 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.795 -2.585 25525
185 1 5 . 1 1 8 8 HIS H H 8 7.982 7.982 7.547 0.435 25525
186 1 5 . 1 1 9 9 LEU N N 9 119.102 119.102 119.517 -0.415 25525
187 1 5 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.236 0.033 25525
188 1 5 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.315 0.196 25525
189 1 5 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.653 -0.231 25525
190 1 5 . 1 1 9 9 LEU H H 9 8.170 8.170 8.515 -0.345 25525
191 1 6 . 1 1 2 2 ASN N N 2 117.210 117.210 119.377 -2.167 25525
192 1 6 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.859 -0.182 25525
193 1 6 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.995 0.643 25525
194 1 6 . 1 1 2 2 ASN CB C 2 38.994 38.994 37.845 1.149 25525
195 1 6 . 1 1 2 2 ASN H H 2 8.651 8.651 8.497 0.154 25525
196 1 6 . 1 1 3 3 HIS N N 3 116.338 116.338 120.586 -4.248 25525
197 1 6 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.771 -0.027 25525
198 1 6 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.020 0.003 25525
199 1 6 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.317 -2.546 25525
200 1 6 . 1 1 3 3 HIS H H 3 8.572 8.572 8.111 0.461 25525
201 1 6 . 1 1 4 4 TRP N N 4 120.903 120.903 125.636 -4.733 25525
202 1 6 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.843 -0.419 25525
203 1 6 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.862 1.727 25525
204 1 6 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.395 -0.069 25525
205 1 6 . 1 1 4 4 TRP H H 4 8.243 8.243 8.538 -0.295 25525
206 1 6 . 1 1 5 5 ALA N N 5 123.802 123.802 124.350 -0.548 25525
207 1 6 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.437 -0.291 25525
208 1 6 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.569 -0.666 25525
209 1 6 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.208 0.151 25525
210 1 6 . 1 1 5 5 ALA H H 5 8.468 8.468 8.837 -0.369 25525
211 1 6 . 1 1 6 6 VAL N N 6 118.392 118.392 118.647 -0.255 25525
212 1 6 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.878 -0.125 25525
213 1 6 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.804 0.238 25525
214 1 6 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.843 0.036 25525
215 1 6 . 1 1 6 6 VAL H H 6 8.030 8.030 8.221 -0.191 25525
216 1 6 . 1 1 7 7 GLY N N 7 108.913 108.913 106.172 2.741 25525
217 1 6 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.174 0.076 25525
218 1 6 . 1 1 7 7 GLY H H 7 8.382 8.382 7.889 0.493 25525
219 1 6 . 1 1 8 8 HIS N N 8 116.605 116.605 120.473 -3.868 25525
220 1 6 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.518 -0.116 25525
221 1 6 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.499 -1.919 25525
222 1 6 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.623 -2.413 25525
223 1 6 . 1 1 8 8 HIS H H 8 7.982 7.982 7.825 0.157 25525
224 1 6 . 1 1 9 9 LEU N N 9 119.102 119.102 119.273 -0.171 25525
225 1 6 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.069 0.200 25525
226 1 6 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.599 -0.088 25525
227 1 6 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.564 -0.142 25525
228 1 6 . 1 1 9 9 LEU H H 9 8.170 8.170 8.263 -0.093 25525
229 1 7 . 1 1 2 2 ASN N N 2 117.210 117.210 119.875 -2.665 25525
230 1 7 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.925 -0.248 25525
231 1 7 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.186 0.452 25525
232 1 7 . 1 1 2 2 ASN CB C 2 38.994 38.994 37.779 1.215 25525
233 1 7 . 1 1 2 2 ASN H H 2 8.651 8.651 8.580 0.071 25525
234 1 7 . 1 1 3 3 HIS N N 3 116.338 116.338 117.935 -1.597 25525
235 1 7 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.613 0.131 25525
236 1 7 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.133 -0.110 25525
237 1 7 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.962 -3.191 25525
238 1 7 . 1 1 3 3 HIS H H 3 8.572 8.572 7.779 0.793 25525
239 1 7 . 1 1 4 4 TRP N N 4 120.903 120.903 127.464 -6.561 25525
240 1 7 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.803 -0.379 25525
241 1 7 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.850 1.739 25525
242 1 7 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.392 -0.066 25525
243 1 7 . 1 1 4 4 TRP H H 4 8.243 8.243 8.674 -0.431 25525
244 1 7 . 1 1 5 5 ALA N N 5 123.802 123.802 124.549 -0.747 25525
245 1 7 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.216 -0.070 25525
246 1 7 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.733 -0.830 25525
247 1 7 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.106 0.253 25525
248 1 7 . 1 1 5 5 ALA H H 5 8.468 8.468 8.665 -0.197 25525
249 1 7 . 1 1 6 6 VAL N N 6 118.392 118.392 118.154 0.238 25525
250 1 7 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.662 0.091 25525
251 1 7 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.776 0.266 25525
252 1 7 . 1 1 6 6 VAL CB C 6 31.879 31.879 30.913 0.966 25525
253 1 7 . 1 1 6 6 VAL H H 6 8.030 8.030 8.318 -0.288 25525
254 1 7 . 1 1 7 7 GLY N N 7 108.913 108.913 106.041 2.872 25525
255 1 7 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.157 0.093 25525
256 1 7 . 1 1 7 7 GLY H H 7 8.382 8.382 7.732 0.650 25525
257 1 7 . 1 1 8 8 HIS N N 8 116.605 116.605 119.698 -3.093 25525
258 1 7 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.423 -0.021 25525
259 1 7 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.349 -1.769 25525
260 1 7 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.609 -2.399 25525
261 1 7 . 1 1 8 8 HIS H H 8 7.982 7.982 7.578 0.404 25525
262 1 7 . 1 1 9 9 LEU N N 9 119.102 119.102 119.129 -0.027 25525
263 1 7 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.202 0.067 25525
264 1 7 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.416 0.095 25525
265 1 7 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.671 -0.249 25525
266 1 7 . 1 1 9 9 LEU H H 9 8.170 8.170 8.085 0.085 25525
267 1 8 . 1 1 2 2 ASN N N 2 117.210 117.210 119.277 -2.067 25525
268 1 8 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.561 0.116 25525
269 1 8 . 1 1 2 2 ASN CA C 2 53.638 53.638 54.773 -1.135 25525
270 1 8 . 1 1 2 2 ASN CB C 2 38.994 38.994 37.824 1.170 25525
271 1 8 . 1 1 2 2 ASN H H 2 8.651 8.651 9.204 -0.553 25525
272 1 8 . 1 1 3 3 HIS N N 3 116.338 116.338 116.910 -0.572 25525
273 1 8 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.561 0.183 25525
274 1 8 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.575 0.448 25525
275 1 8 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.912 -3.141 25525
276 1 8 . 1 1 3 3 HIS H H 3 8.572 8.572 8.097 0.475 25525
277 1 8 . 1 1 4 4 TRP N N 4 120.903 120.903 127.534 -6.631 25525
278 1 8 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.872 -0.448 25525
279 1 8 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.545 2.044 25525
280 1 8 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.567 -0.241 25525
281 1 8 . 1 1 4 4 TRP H H 4 8.243 8.243 8.676 -0.433 25525
282 1 8 . 1 1 5 5 ALA N N 5 123.802 123.802 124.571 -0.769 25525
283 1 8 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.174 -0.028 25525
284 1 8 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.624 -0.721 25525
285 1 8 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.321 0.038 25525
286 1 8 . 1 1 5 5 ALA H H 5 8.468 8.468 8.792 -0.324 25525
287 1 8 . 1 1 6 6 VAL N N 6 118.392 118.392 118.227 0.165 25525
288 1 8 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.711 0.042 25525
289 1 8 . 1 1 6 6 VAL CA C 6 65.042 65.042 63.816 1.226 25525
290 1 8 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.605 0.274 25525
291 1 8 . 1 1 6 6 VAL H H 6 8.030 8.030 8.104 -0.074 25525
292 1 8 . 1 1 7 7 GLY N N 7 108.913 108.913 104.581 4.332 25525
293 1 8 . 1 1 7 7 GLY CA C 7 46.250 46.250 44.779 1.471 25525
294 1 8 . 1 1 7 7 GLY H H 7 8.382 8.382 7.422 0.960 25525
295 1 8 . 1 1 8 8 HIS N N 8 116.605 116.605 117.732 -1.127 25525
296 1 8 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.460 -0.058 25525
297 1 8 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.659 -1.079 25525
298 1 8 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.006 -2.796 25525
299 1 8 . 1 1 8 8 HIS H H 8 7.982 7.982 7.466 0.516 25525
300 1 8 . 1 1 9 9 LEU N N 9 119.102 119.102 119.608 -0.506 25525
301 1 8 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.322 -0.053 25525
302 1 8 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.020 0.491 25525
303 1 8 . 1 1 9 9 LEU CB C 9 42.422 42.422 43.085 -0.663 25525
304 1 8 . 1 1 9 9 LEU H H 9 8.170 8.170 7.763 0.406 25525
305 1 9 . 1 1 2 2 ASN N N 2 117.210 117.210 121.119 -3.909 25525
306 1 9 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.926 -0.249 25525
307 1 9 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.956 0.682 25525
308 1 9 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.541 0.453 25525
309 1 9 . 1 1 2 2 ASN H H 2 8.651 8.651 8.803 -0.152 25525
310 1 9 . 1 1 3 3 HIS N N 3 116.338 116.338 120.882 -4.544 25525
311 1 9 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.567 0.177 25525
312 1 9 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.500 -0.477 25525
313 1 9 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.944 -3.173 25525
314 1 9 . 1 1 3 3 HIS H H 3 8.572 8.572 8.286 0.286 25525
315 1 9 . 1 1 4 4 TRP N N 4 120.903 120.903 127.238 -6.335 25525
316 1 9 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.939 -0.515 25525
317 1 9 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.706 1.883 25525
318 1 9 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.449 -0.123 25525
319 1 9 . 1 1 4 4 TRP H H 4 8.243 8.243 8.604 -0.361 25525
320 1 9 . 1 1 5 5 ALA N N 5 123.802 123.802 123.569 0.233 25525
321 1 9 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.365 -0.219 25525
322 1 9 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.804 -0.901 25525
323 1 9 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.440 -0.081 25525
324 1 9 . 1 1 5 5 ALA H H 5 8.468 8.468 8.870 -0.402 25525
325 1 9 . 1 1 6 6 VAL N N 6 118.392 118.392 119.201 -0.809 25525
326 1 9 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.646 0.107 25525
327 1 9 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.235 0.807 25525
328 1 9 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.332 0.547 25525
329 1 9 . 1 1 6 6 VAL H H 6 8.030 8.030 8.196 -0.166 25525
330 1 9 . 1 1 7 7 GLY N N 7 108.913 108.913 106.618 2.295 25525
331 1 9 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.546 -0.296 25525
332 1 9 . 1 1 7 7 GLY H H 7 8.382 8.382 8.025 0.357 25525
333 1 9 . 1 1 8 8 HIS N N 8 116.605 116.605 119.785 -3.180 25525
334 1 9 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.471 -0.069 25525
335 1 9 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.416 -1.836 25525
336 1 9 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.525 -2.315 25525
337 1 9 . 1 1 8 8 HIS H H 8 7.982 7.982 7.672 0.310 25525
338 1 9 . 1 1 9 9 LEU N N 9 119.102 119.102 118.629 0.473 25525
339 1 9 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.227 0.042 25525
340 1 9 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.135 0.376 25525
341 1 9 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.728 -0.306 25525
342 1 9 . 1 1 9 9 LEU H H 9 8.170 8.170 7.566 0.604 25525
343 1 10 . 1 1 2 2 ASN N N 2 117.210 117.210 119.006 -1.796 25525
344 1 10 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.860 -0.183 25525
345 1 10 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.862 -0.224 25525
346 1 10 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.950 0.044 25525
347 1 10 . 1 1 2 2 ASN H H 2 8.651 8.651 9.075 -0.424 25525
348 1 10 . 1 1 3 3 HIS N N 3 116.338 116.338 116.223 0.115 25525
349 1 10 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.672 0.072 25525
350 1 10 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.598 0.425 25525
351 1 10 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.799 -3.028 25525
352 1 10 . 1 1 3 3 HIS H H 3 8.572 8.572 8.269 0.303 25525
353 1 10 . 1 1 4 4 TRP N N 4 120.903 120.903 128.029 -7.126 25525
354 1 10 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.728 -0.304 25525
355 1 10 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.960 1.629 25525
356 1 10 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.024 0.302 25525
357 1 10 . 1 1 4 4 TRP H H 4 8.243 8.243 8.564 -0.321 25525
358 1 10 . 1 1 5 5 ALA N N 5 123.802 123.802 124.650 -0.848 25525
359 1 10 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.182 -0.036 25525
360 1 10 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.699 -0.796 25525
361 1 10 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.261 0.098 25525
362 1 10 . 1 1 5 5 ALA H H 5 8.468 8.468 8.774 -0.306 25525
363 1 10 . 1 1 6 6 VAL N N 6 118.392 118.392 117.844 0.548 25525
364 1 10 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.662 0.091 25525
365 1 10 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.382 0.660 25525
366 1 10 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.467 0.412 25525
367 1 10 . 1 1 6 6 VAL H H 6 8.030 8.030 8.146 -0.116 25525
368 1 10 . 1 1 7 7 GLY N N 7 108.913 108.913 106.126 2.787 25525
369 1 10 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.230 0.021 25525
370 1 10 . 1 1 7 7 GLY H H 7 8.382 8.382 7.795 0.587 25525
371 1 10 . 1 1 8 8 HIS N N 8 116.605 116.605 119.618 -3.013 25525
372 1 10 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.296 0.106 25525
373 1 10 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.604 -2.024 25525
374 1 10 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.296 -2.086 25525
375 1 10 . 1 1 8 8 HIS H H 8 7.982 7.982 7.353 0.629 25525
376 1 10 . 1 1 9 9 LEU N N 9 119.102 119.102 118.805 0.297 25525
377 1 10 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.221 0.048 25525
378 1 10 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.943 0.568 25525
379 1 10 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.829 -0.407 25525
380 1 10 . 1 1 9 9 LEU H H 9 8.170 8.170 7.666 0.504 25525
381 1 11 . 1 1 2 2 ASN N N 2 117.210 117.210 119.015 -1.805 25525
382 1 11 . 1 1 2 2 ASN HA H 2 4.677 4.677 5.020 -0.343 25525
383 1 11 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.980 0.658 25525
384 1 11 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.268 -0.274 25525
385 1 11 . 1 1 2 2 ASN H H 2 8.651 8.651 9.071 -0.420 25525
386 1 11 . 1 1 3 3 HIS N N 3 116.338 116.338 118.597 -2.259 25525
387 1 11 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.589 0.155 25525
388 1 11 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.041 -0.018 25525
389 1 11 . 1 1 3 3 HIS CB C 3 27.771 27.771 31.089 -3.318 25525
390 1 11 . 1 1 3 3 HIS H H 3 8.572 8.572 8.030 0.542 25525
391 1 11 . 1 1 4 4 TRP N N 4 120.903 120.903 127.562 -6.659 25525
392 1 11 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.849 -0.425 25525
393 1 11 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.667 1.922 25525
394 1 11 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.486 -0.160 25525
395 1 11 . 1 1 4 4 TRP H H 4 8.243 8.243 8.738 -0.495 25525
396 1 11 . 1 1 5 5 ALA N N 5 123.802 123.802 123.975 -0.173 25525
397 1 11 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.314 -0.168 25525
398 1 11 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.691 -0.788 25525
399 1 11 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.238 0.121 25525
400 1 11 . 1 1 5 5 ALA H H 5 8.468 8.468 8.757 -0.289 25525
401 1 11 . 1 1 6 6 VAL N N 6 118.392 118.392 118.368 0.024 25525
402 1 11 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.670 0.083 25525
403 1 11 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.256 0.786 25525
404 1 11 . 1 1 6 6 VAL CB C 6 31.879 31.879 30.951 0.928 25525
405 1 11 . 1 1 6 6 VAL H H 6 8.030 8.030 8.017 0.013 25525
406 1 11 . 1 1 7 7 GLY N N 7 108.913 108.913 104.585 4.328 25525
407 1 11 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.234 1.016 25525
408 1 11 . 1 1 7 7 GLY H H 7 8.382 8.382 7.589 0.793 25525
409 1 11 . 1 1 8 8 HIS N N 8 116.605 116.605 119.289 -2.684 25525
410 1 11 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.604 -0.202 25525
411 1 11 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.591 -1.011 25525
412 1 11 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.182 -2.972 25525
413 1 11 . 1 1 8 8 HIS H H 8 7.982 7.982 7.763 0.219 25525
414 1 11 . 1 1 9 9 LEU N N 9 119.102 119.102 119.542 -0.440 25525
415 1 11 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.218 0.051 25525
416 1 11 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.975 0.536 25525
417 1 11 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.589 -0.167 25525
418 1 11 . 1 1 9 9 LEU H H 9 8.170 8.170 7.776 0.394 25525
419 1 12 . 1 1 2 2 ASN N N 2 117.210 117.210 119.642 -2.432 25525
420 1 12 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.788 -0.111 25525
421 1 12 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.105 0.533 25525
422 1 12 . 1 1 2 2 ASN CB C 2 38.994 38.994 37.748 1.246 25525
423 1 12 . 1 1 2 2 ASN H H 2 8.651 8.651 8.472 0.179 25525
424 1 12 . 1 1 3 3 HIS N N 3 116.338 116.338 121.280 -4.942 25525
425 1 12 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.763 -0.019 25525
426 1 12 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.920 0.103 25525
427 1 12 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.227 -2.456 25525
428 1 12 . 1 1 3 3 HIS H H 3 8.572 8.572 8.173 0.399 25525
429 1 12 . 1 1 4 4 TRP N N 4 120.903 120.903 125.508 -4.605 25525
430 1 12 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.829 -0.405 25525
431 1 12 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.926 1.663 25525
432 1 12 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.378 -0.052 25525
433 1 12 . 1 1 4 4 TRP H H 4 8.243 8.243 8.556 -0.313 25525
434 1 12 . 1 1 5 5 ALA N N 5 123.802 123.802 123.601 0.201 25525
435 1 12 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.417 -0.271 25525
436 1 12 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.544 -0.641 25525
437 1 12 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.090 0.269 25525
438 1 12 . 1 1 5 5 ALA H H 5 8.468 8.468 8.819 -0.351 25525
439 1 12 . 1 1 6 6 VAL N N 6 118.392 118.392 118.460 -0.068 25525
440 1 12 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.944 -0.191 25525
441 1 12 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.866 0.176 25525
442 1 12 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.602 0.277 25525
443 1 12 . 1 1 6 6 VAL H H 6 8.030 8.030 8.178 -0.148 25525
444 1 12 . 1 1 7 7 GLY N N 7 108.913 108.913 104.957 3.956 25525
445 1 12 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.279 0.971 25525
446 1 12 . 1 1 7 7 GLY H H 7 8.382 8.382 7.859 0.523 25525
447 1 12 . 1 1 8 8 HIS N N 8 116.605 116.605 119.247 -2.642 25525
448 1 12 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.718 -0.316 25525
449 1 12 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.765 -1.185 25525
450 1 12 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.327 -3.117 25525
451 1 12 . 1 1 8 8 HIS H H 8 7.982 7.982 8.088 -0.106 25525
452 1 12 . 1 1 9 9 LEU N N 9 119.102 119.102 119.054 0.048 25525
453 1 12 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.345 -0.076 25525
454 1 12 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.834 0.677 25525
455 1 12 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.809 -0.387 25525
456 1 12 . 1 1 9 9 LEU H H 9 8.170 8.170 7.812 0.358 25525
457 1 13 . 1 1 2 2 ASN N N 2 117.210 117.210 121.625 -4.415 25525
458 1 13 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.874 -0.197 25525
459 1 13 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.557 0.081 25525
460 1 13 . 1 1 2 2 ASN CB C 2 38.994 38.994 37.651 1.343 25525
461 1 13 . 1 1 2 2 ASN H H 2 8.651 8.651 8.582 0.069 25525
462 1 13 . 1 1 3 3 HIS N N 3 116.338 116.338 117.483 -1.145 25525
463 1 13 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.612 0.132 25525
464 1 13 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.946 0.077 25525
465 1 13 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.945 -3.174 25525
466 1 13 . 1 1 3 3 HIS H H 3 8.572 8.572 8.004 0.568 25525
467 1 13 . 1 1 4 4 TRP N N 4 120.903 120.903 128.235 -7.332 25525
468 1 13 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.735 -0.311 25525
469 1 13 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.101 1.488 25525
470 1 13 . 1 1 4 4 TRP CB C 4 30.326 30.326 29.971 0.354 25525
471 1 13 . 1 1 4 4 TRP H H 4 8.243 8.243 8.601 -0.358 25525
472 1 13 . 1 1 5 5 ALA N N 5 123.802 123.802 124.346 -0.544 25525
473 1 13 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.179 -0.033 25525
474 1 13 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.751 -0.848 25525
475 1 13 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.163 0.196 25525
476 1 13 . 1 1 5 5 ALA H H 5 8.468 8.468 8.798 -0.330 25525
477 1 13 . 1 1 6 6 VAL N N 6 118.392 118.392 118.063 0.329 25525
478 1 13 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.735 0.018 25525
479 1 13 . 1 1 6 6 VAL CA C 6 65.042 65.042 63.852 1.190 25525
480 1 13 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.791 0.088 25525
481 1 13 . 1 1 6 6 VAL H H 6 8.030 8.030 8.154 -0.124 25525
482 1 13 . 1 1 7 7 GLY N N 7 108.913 108.913 104.565 4.348 25525
483 1 13 . 1 1 7 7 GLY CA C 7 46.250 46.250 44.695 1.555 25525
484 1 13 . 1 1 7 7 GLY H H 7 8.382 8.382 7.574 0.808 25525
485 1 13 . 1 1 8 8 HIS N N 8 116.605 116.605 117.708 -1.103 25525
486 1 13 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.481 -0.079 25525
487 1 13 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.830 -1.250 25525
488 1 13 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.154 -2.944 25525
489 1 13 . 1 1 8 8 HIS H H 8 7.982 7.982 7.506 0.476 25525
490 1 13 . 1 1 9 9 LEU N N 9 119.102 119.102 119.683 -0.581 25525
491 1 13 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.396 -0.127 25525
492 1 13 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.038 0.473 25525
493 1 13 . 1 1 9 9 LEU CB C 9 42.422 42.422 43.059 -0.637 25525
494 1 13 . 1 1 9 9 LEU H H 9 8.170 8.170 7.820 0.350 25525
495 1 14 . 1 1 2 2 ASN N N 2 117.210 117.210 118.511 -1.301 25525
496 1 14 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.742 -0.065 25525
497 1 14 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.789 0.848 25525
498 1 14 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.196 -0.202 25525
499 1 14 . 1 1 2 2 ASN H H 2 8.651 8.651 8.578 0.073 25525
500 1 14 . 1 1 3 3 HIS N N 3 116.338 116.338 119.143 -2.805 25525
501 1 14 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.732 0.012 25525
502 1 14 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.812 0.211 25525
503 1 14 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.232 -2.461 25525
504 1 14 . 1 1 3 3 HIS H H 3 8.572 8.572 8.124 0.448 25525
505 1 14 . 1 1 4 4 TRP N N 4 120.903 120.903 125.579 -4.676 25525
506 1 14 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.840 -0.416 25525
507 1 14 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.909 1.680 25525
508 1 14 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.402 -0.076 25525
509 1 14 . 1 1 4 4 TRP H H 4 8.243 8.243 8.498 -0.255 25525
510 1 14 . 1 1 5 5 ALA N N 5 123.802 123.802 124.252 -0.450 25525
511 1 14 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.409 -0.263 25525
512 1 14 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.578 -0.675 25525
513 1 14 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.205 0.154 25525
514 1 14 . 1 1 5 5 ALA H H 5 8.468 8.468 8.821 -0.353 25525
515 1 14 . 1 1 6 6 VAL N N 6 118.392 118.392 118.414 -0.022 25525
516 1 14 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.883 -0.130 25525
517 1 14 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.816 0.227 25525
518 1 14 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.804 0.075 25525
519 1 14 . 1 1 6 6 VAL H H 6 8.030 8.030 8.203 -0.173 25525
520 1 14 . 1 1 7 7 GLY N N 7 108.913 108.913 106.131 2.782 25525
521 1 14 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.105 0.145 25525
522 1 14 . 1 1 7 7 GLY H H 7 8.382 8.382 7.910 0.472 25525
523 1 14 . 1 1 8 8 HIS N N 8 116.605 116.605 119.774 -3.169 25525
524 1 14 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.408 -0.006 25525
525 1 14 . 1 1 8 8 HIS CA C 8 55.580 55.580 58.464 -2.884 25525
526 1 14 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.785 -2.575 25525
527 1 14 . 1 1 8 8 HIS H H 8 7.982 7.982 7.727 0.255 25525
528 1 14 . 1 1 9 9 LEU N N 9 119.102 119.102 119.002 0.100 25525
529 1 14 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.118 0.151 25525
530 1 14 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.043 0.468 25525
531 1 14 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.364 0.058 25525
532 1 14 . 1 1 9 9 LEU H H 9 8.170 8.170 7.988 0.182 25525
533 1 15 . 1 1 2 2 ASN N N 2 117.210 117.210 118.940 -1.730 25525
534 1 15 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.660 0.017 25525
535 1 15 . 1 1 2 2 ASN CA C 2 53.638 53.638 54.064 -0.426 25525
536 1 15 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.095 -0.101 25525
537 1 15 . 1 1 2 2 ASN H H 2 8.651 8.651 8.638 0.013 25525
538 1 15 . 1 1 3 3 HIS N N 3 116.338 116.338 115.063 1.275 25525
539 1 15 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.697 0.047 25525
540 1 15 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.807 0.215 25525
541 1 15 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.358 -2.587 25525
542 1 15 . 1 1 3 3 HIS H H 3 8.572 8.572 7.835 0.737 25525
543 1 15 . 1 1 4 4 TRP N N 4 120.903 120.903 129.136 -8.233 25525
544 1 15 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.682 -0.258 25525
545 1 15 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.258 1.331 25525
546 1 15 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.127 0.199 25525
547 1 15 . 1 1 4 4 TRP H H 4 8.243 8.243 8.874 -0.631 25525
548 1 15 . 1 1 5 5 ALA N N 5 123.802 123.802 124.364 -0.562 25525
549 1 15 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.183 -0.037 25525
550 1 15 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.714 -0.811 25525
551 1 15 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.196 0.163 25525
552 1 15 . 1 1 5 5 ALA H H 5 8.468 8.468 8.806 -0.338 25525
553 1 15 . 1 1 6 6 VAL N N 6 118.392 118.392 118.337 0.055 25525
554 1 15 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.674 0.079 25525
555 1 15 . 1 1 6 6 VAL CA C 6 65.042 65.042 63.985 1.057 25525
556 1 15 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.683 0.196 25525
557 1 15 . 1 1 6 6 VAL H H 6 8.030 8.030 8.157 -0.127 25525
558 1 15 . 1 1 7 7 GLY N N 7 108.913 108.913 104.448 4.465 25525
559 1 15 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.311 0.939 25525
560 1 15 . 1 1 7 7 GLY H H 7 8.382 8.382 7.577 0.805 25525
561 1 15 . 1 1 8 8 HIS N N 8 116.605 116.605 118.825 -2.220 25525
562 1 15 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.534 -0.132 25525
563 1 15 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.584 -1.004 25525
564 1 15 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.136 -2.926 25525
565 1 15 . 1 1 8 8 HIS H H 8 7.982 7.982 7.667 0.315 25525
566 1 15 . 1 1 9 9 LEU N N 9 119.102 119.102 119.718 -0.616 25525
567 1 15 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.259 0.010 25525
568 1 15 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.728 0.783 25525
569 1 15 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.512 -0.090 25525
570 1 15 . 1 1 9 9 LEU H H 9 8.170 8.170 7.693 0.477 25525
571 1 16 . 1 1 2 2 ASN N N 2 117.210 117.210 119.041 -1.831 25525
572 1 16 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.916 -0.239 25525
573 1 16 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.272 0.366 25525
574 1 16 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.072 -0.078 25525
575 1 16 . 1 1 2 2 ASN H H 2 8.651 8.651 8.970 -0.319 25525
576 1 16 . 1 1 3 3 HIS N N 3 116.338 116.338 117.526 -1.188 25525
577 1 16 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.537 0.207 25525
578 1 16 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.886 0.137 25525
579 1 16 . 1 1 3 3 HIS CB C 3 27.771 27.771 31.005 -3.234 25525
580 1 16 . 1 1 3 3 HIS H H 3 8.572 8.572 7.883 0.689 25525
581 1 16 . 1 1 4 4 TRP N N 4 120.903 120.903 128.031 -7.128 25525
582 1 16 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.847 -0.423 25525
583 1 16 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.904 1.685 25525
584 1 16 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.382 -0.056 25525
585 1 16 . 1 1 4 4 TRP H H 4 8.243 8.243 8.701 -0.458 25525
586 1 16 . 1 1 5 5 ALA N N 5 123.802 123.802 124.443 -0.641 25525
587 1 16 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.263 -0.117 25525
588 1 16 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.677 -0.774 25525
589 1 16 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.332 0.027 25525
590 1 16 . 1 1 5 5 ALA H H 5 8.468 8.468 8.773 -0.305 25525
591 1 16 . 1 1 6 6 VAL N N 6 118.392 118.392 118.144 0.248 25525
592 1 16 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.605 0.148 25525
593 1 16 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.514 0.528 25525
594 1 16 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.251 0.628 25525
595 1 16 . 1 1 6 6 VAL H H 6 8.030 8.030 8.070 -0.040 25525
596 1 16 . 1 1 7 7 GLY N N 7 108.913 108.913 105.999 2.914 25525
597 1 16 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.354 -0.104 25525
598 1 16 . 1 1 7 7 GLY H H 7 8.382 8.382 7.720 0.662 25525
599 1 16 . 1 1 8 8 HIS N N 8 116.605 116.605 119.656 -3.051 25525
600 1 16 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.371 0.031 25525
601 1 16 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.498 -1.918 25525
602 1 16 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.436 -2.225 25525
603 1 16 . 1 1 8 8 HIS H H 8 7.982 7.982 7.447 0.535 25525
604 1 16 . 1 1 9 9 LEU N N 9 119.102 119.102 118.972 0.130 25525
605 1 16 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.251 0.018 25525
606 1 16 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.030 0.481 25525
607 1 16 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.719 -0.298 25525
608 1 16 . 1 1 9 9 LEU H H 9 8.170 8.170 7.766 0.404 25525
609 1 17 . 1 1 2 2 ASN N N 2 117.210 117.210 117.167 0.043 25525
610 1 17 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.609 0.068 25525
611 1 17 . 1 1 2 2 ASN CA C 2 53.638 53.638 54.360 -0.722 25525
612 1 17 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.284 -0.290 25525
613 1 17 . 1 1 2 2 ASN H H 2 8.651 8.651 8.526 0.125 25525
614 1 17 . 1 1 3 3 HIS N N 3 116.338 116.338 116.265 0.073 25525
615 1 17 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.659 0.085 25525
616 1 17 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.831 0.192 25525
617 1 17 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.331 -2.560 25525
618 1 17 . 1 1 3 3 HIS H H 3 8.572 8.572 7.809 0.763 25525
619 1 17 . 1 1 4 4 TRP N N 4 120.903 120.903 128.470 -7.567 25525
620 1 17 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.605 -0.181 25525
621 1 17 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.912 0.677 25525
622 1 17 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.370 -0.044 25525
623 1 17 . 1 1 4 4 TRP H H 4 8.243 8.243 9.018 -0.775 25525
624 1 17 . 1 1 5 5 ALA N N 5 123.802 123.802 124.310 -0.508 25525
625 1 17 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.223 -0.077 25525
626 1 17 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.755 -0.852 25525
627 1 17 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.173 0.186 25525
628 1 17 . 1 1 5 5 ALA H H 5 8.468 8.468 8.775 -0.307 25525
629 1 17 . 1 1 6 6 VAL N N 6 118.392 118.392 118.223 0.169 25525
630 1 17 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.593 0.160 25525
631 1 17 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.745 0.297 25525
632 1 17 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.380 0.499 25525
633 1 17 . 1 1 6 6 VAL H H 6 8.030 8.030 8.113 -0.083 25525
634 1 17 . 1 1 7 7 GLY N N 7 108.913 108.913 106.428 2.485 25525
635 1 17 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.373 -0.123 25525
636 1 17 . 1 1 7 7 GLY H H 7 8.382 8.382 7.721 0.661 25525
637 1 17 . 1 1 8 8 HIS N N 8 116.605 116.605 119.459 -2.854 25525
638 1 17 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.339 0.063 25525
639 1 17 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.530 -1.950 25525
640 1 17 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.213 -2.003 25525
641 1 17 . 1 1 8 8 HIS H H 8 7.982 7.982 7.268 0.714 25525
642 1 17 . 1 1 9 9 LEU N N 9 119.102 119.102 118.755 0.347 25525
643 1 17 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.336 -0.067 25525
644 1 17 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.003 0.508 25525
645 1 17 . 1 1 9 9 LEU CB C 9 42.422 42.422 43.093 -0.671 25525
646 1 17 . 1 1 9 9 LEU H H 9 8.170 8.170 7.937 0.233 25525
647 1 18 . 1 1 2 2 ASN N N 2 117.210 117.210 118.105 -0.895 25525
648 1 18 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.724 -0.047 25525
649 1 18 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.916 -0.278 25525
650 1 18 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.006 -0.012 25525
651 1 18 . 1 1 2 2 ASN H H 2 8.651 8.651 8.331 0.320 25525
652 1 18 . 1 1 3 3 HIS N N 3 116.338 116.338 115.625 0.713 25525
653 1 18 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.716 0.028 25525
654 1 18 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.841 0.182 25525
655 1 18 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.255 -2.484 25525
656 1 18 . 1 1 3 3 HIS H H 3 8.572 8.572 7.945 0.627 25525
657 1 18 . 1 1 4 4 TRP N N 4 120.903 120.903 129.128 -8.225 25525
658 1 18 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.701 -0.277 25525
659 1 18 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.175 1.414 25525
660 1 18 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.096 0.230 25525
661 1 18 . 1 1 4 4 TRP H H 4 8.243 8.243 8.799 -0.556 25525
662 1 18 . 1 1 5 5 ALA N N 5 123.802 123.802 124.227 -0.425 25525
663 1 18 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.270 -0.124 25525
664 1 18 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.662 -0.759 25525
665 1 18 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.270 0.089 25525
666 1 18 . 1 1 5 5 ALA H H 5 8.468 8.468 8.889 -0.421 25525
667 1 18 . 1 1 6 6 VAL N N 6 118.392 118.392 118.302 0.090 25525
668 1 18 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.601 0.152 25525
669 1 18 . 1 1 6 6 VAL CA C 6 65.042 65.042 63.847 1.195 25525
670 1 18 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.574 0.305 25525
671 1 18 . 1 1 6 6 VAL H H 6 8.030 8.030 8.080 -0.050 25525
672 1 18 . 1 1 7 7 GLY N N 7 108.913 108.913 104.587 4.326 25525
673 1 18 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.322 0.928 25525
674 1 18 . 1 1 7 7 GLY H H 7 8.382 8.382 7.434 0.948 25525
675 1 18 . 1 1 8 8 HIS N N 8 116.605 116.605 118.947 -2.342 25525
676 1 18 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.639 -0.237 25525
677 1 18 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.658 -1.078 25525
678 1 18 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.247 -3.037 25525
679 1 18 . 1 1 8 8 HIS H H 8 7.982 7.982 7.886 0.096 25525
680 1 18 . 1 1 9 9 LEU N N 9 119.102 119.102 119.739 -0.637 25525
681 1 18 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.256 0.013 25525
682 1 18 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.767 0.744 25525
683 1 18 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.542 -0.120 25525
684 1 18 . 1 1 9 9 LEU H H 9 8.170 8.170 7.736 0.434 25525
685 1 19 . 1 1 2 2 ASN N N 2 117.210 117.210 120.164 -2.954 25525
686 1 19 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.904 -0.227 25525
687 1 19 . 1 1 2 2 ASN CA C 2 53.638 53.638 52.992 0.646 25525
688 1 19 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.094 0.900 25525
689 1 19 . 1 1 2 2 ASN H H 2 8.651 8.651 8.709 -0.058 25525
690 1 19 . 1 1 3 3 HIS N N 3 116.338 116.338 118.450 -2.112 25525
691 1 19 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.630 0.114 25525
692 1 19 . 1 1 3 3 HIS CA C 3 56.023 56.023 56.149 -0.126 25525
693 1 19 . 1 1 3 3 HIS CB C 3 27.771 27.771 31.099 -3.328 25525
694 1 19 . 1 1 3 3 HIS H H 3 8.572 8.572 7.995 0.577 25525
695 1 19 . 1 1 4 4 TRP N N 4 120.903 120.903 126.116 -5.213 25525
696 1 19 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.923 -0.499 25525
697 1 19 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.858 1.731 25525
698 1 19 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.577 -0.251 25525
699 1 19 . 1 1 4 4 TRP H H 4 8.243 8.243 8.316 -0.073 25525
700 1 19 . 1 1 5 5 ALA N N 5 123.802 123.802 124.490 -0.688 25525
701 1 19 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.421 -0.275 25525
702 1 19 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.577 -0.674 25525
703 1 19 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.237 0.122 25525
704 1 19 . 1 1 5 5 ALA H H 5 8.468 8.468 8.824 -0.356 25525
705 1 19 . 1 1 6 6 VAL N N 6 118.392 118.392 118.639 -0.247 25525
706 1 19 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.861 -0.108 25525
707 1 19 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.901 0.141 25525
708 1 19 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.840 0.039 25525
709 1 19 . 1 1 6 6 VAL H H 6 8.030 8.030 8.205 -0.175 25525
710 1 19 . 1 1 7 7 GLY N N 7 108.913 108.913 106.269 2.644 25525
711 1 19 . 1 1 7 7 GLY CA C 7 46.250 46.250 46.264 -0.014 25525
712 1 19 . 1 1 7 7 GLY H H 7 8.382 8.382 7.998 0.384 25525
713 1 19 . 1 1 8 8 HIS N N 8 116.605 116.605 120.334 -3.729 25525
714 1 19 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.481 -0.079 25525
715 1 19 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.661 -2.082 25525
716 1 19 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.443 -2.233 25525
717 1 19 . 1 1 8 8 HIS H H 8 7.982 7.982 7.770 0.212 25525
718 1 19 . 1 1 9 9 LEU N N 9 119.102 119.102 118.123 0.979 25525
719 1 19 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.262 0.007 25525
720 1 19 . 1 1 9 9 LEU CA C 9 56.511 56.511 55.972 0.539 25525
721 1 19 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.771 -0.349 25525
722 1 19 . 1 1 9 9 LEU H H 9 8.170 8.170 8.121 0.049 25525
723 1 20 . 1 1 2 2 ASN N N 2 117.210 117.210 116.545 0.665 25525
724 1 20 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.687 -0.010 25525
725 1 20 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.974 -0.336 25525
726 1 20 . 1 1 2 2 ASN CB C 2 38.994 38.994 39.101 -0.107 25525
727 1 20 . 1 1 2 2 ASN H H 2 8.651 8.651 8.465 0.186 25525
728 1 20 . 1 1 3 3 HIS N N 3 116.338 116.338 115.471 0.867 25525
729 1 20 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.725 0.019 25525
730 1 20 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.781 0.242 25525
731 1 20 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.433 -2.662 25525
732 1 20 . 1 1 3 3 HIS H H 3 8.572 8.572 7.851 0.721 25525
733 1 20 . 1 1 4 4 TRP N N 4 120.903 120.903 129.192 -8.289 25525
734 1 20 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.701 -0.277 25525
735 1 20 . 1 1 4 4 TRP CA C 4 59.589 59.589 58.155 1.434 25525
736 1 20 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.133 0.193 25525
737 1 20 . 1 1 4 4 TRP H H 4 8.243 8.243 8.777 -0.534 25525
738 1 20 . 1 1 5 5 ALA N N 5 123.802 123.802 124.498 -0.696 25525
739 1 20 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.202 -0.056 25525
740 1 20 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.759 -0.856 25525
741 1 20 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.227 0.133 25525
742 1 20 . 1 1 5 5 ALA H H 5 8.468 8.468 8.841 -0.373 25525
743 1 20 . 1 1 6 6 VAL N N 6 118.392 118.392 118.008 0.384 25525
744 1 20 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.660 0.093 25525
745 1 20 . 1 1 6 6 VAL CA C 6 65.042 65.042 63.967 1.075 25525
746 1 20 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.677 0.202 25525
747 1 20 . 1 1 6 6 VAL H H 6 8.030 8.030 8.191 -0.161 25525
748 1 20 . 1 1 7 7 GLY N N 7 108.913 108.913 104.523 4.390 25525
749 1 20 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.260 0.990 25525
750 1 20 . 1 1 7 7 GLY H H 7 8.382 8.382 7.592 0.790 25525
751 1 20 . 1 1 8 8 HIS N N 8 116.605 116.605 118.905 -2.300 25525
752 1 20 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.522 -0.120 25525
753 1 20 . 1 1 8 8 HIS CA C 8 55.580 55.580 56.644 -1.064 25525
754 1 20 . 1 1 8 8 HIS CB C 8 28.210 28.210 31.125 -2.915 25525
755 1 20 . 1 1 8 8 HIS H H 8 7.982 7.982 7.639 0.343 25525
756 1 20 . 1 1 9 9 LEU N N 9 119.102 119.102 119.739 -0.637 25525
757 1 20 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.325 -0.056 25525
758 1 20 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.095 0.416 25525
759 1 20 . 1 1 9 9 LEU CB C 9 42.422 42.422 43.013 -0.591 25525
760 1 20 . 1 1 9 9 LEU H H 9 8.170 8.170 7.790 0.380 25525
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 8 2.818 0.941 2.840 25525
2 1 1 "Average Difference" HA 9 0.276 -0.065 0.285 25525
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25525
4 1 1 "Average Difference" CA 8 1.020 0.092 1.086 25525
5 1 1 "Average Difference" CB 7 1.320 0.653 1.239 25525
6 1 1 "Average Difference" HN 8 0.485 -0.310 0.399 25525
7 1 2 "Average Difference" N 8 2.984 1.112 2.960 25525
8 1 2 "Average Difference" HA 9 0.272 -0.047 0.285 25525
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25525
10 1 2 "Average Difference" CA 8 1.054 -0.015 1.127 25525
11 1 2 "Average Difference" CB 7 1.427 0.776 1.293 25525
12 1 2 "Average Difference" HN 8 0.497 -0.201 0.486 25525
13 1 3 "Average Difference" N 8 2.989 0.786 3.083 25525
14 1 3 "Average Difference" HA 9 0.158 -0.001 0.168 25525
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25525
16 1 3 "Average Difference" CA 8 1.002 -0.462 0.951 25525
17 1 3 "Average Difference" CB 7 1.444 0.660 1.388 25525
18 1 3 "Average Difference" HN 8 0.474 -0.199 0.460 25525
19 1 4 "Average Difference" N 8 3.367 0.985 3.442 25525
20 1 4 "Average Difference" HA 9 0.206 -0.053 0.211 25525
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25525
22 1 4 "Average Difference" CA 8 0.895 0.105 0.951 25525
23 1 4 "Average Difference" CB 7 1.346 0.577 1.313 25525
24 1 4 "Average Difference" HN 8 0.488 -0.114 0.508 25525
25 1 5 "Average Difference" N 8 3.560 2.067 3.099 25525
26 1 5 "Average Difference" HA 9 0.271 -0.046 0.283 25525
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25525
28 1 5 "Average Difference" CA 8 0.950 0.023 1.015 25525
29 1 5 "Average Difference" CB 7 1.594 0.702 1.546 25525
30 1 5 "Average Difference" HN 8 0.408 -0.024 0.435 25525
31 1 6 "Average Difference" N 8 2.916 1.656 2.565 25525
32 1 6 "Average Difference" HA 9 0.216 0.073 0.216 25525
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25525
34 1 6 "Average Difference" CA 8 0.974 -0.002 1.042 25525
35 1 6 "Average Difference" CB 7 1.398 0.548 1.389 25525
36 1 6 "Average Difference" HN 8 0.311 -0.040 0.330 25525
37 1 7 "Average Difference" N 8 2.982 1.447 2.787 25525
38 1 7 "Average Difference" HA 9 0.244 -0.036 0.256 25525
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25525
40 1 7 "Average Difference" CA 8 0.945 0.008 1.010 25525
41 1 7 "Average Difference" CB 7 1.625 0.496 1.671 25525
42 1 7 "Average Difference" HN 8 0.438 -0.136 0.445 25525
43 1 8 "Average Difference" N 8 2.947 0.897 3.001 25525
44 1 8 "Average Difference" HA 9 0.205 -0.025 0.216 25525
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25525
46 1 8 "Average Difference" CA 8 1.186 -0.343 1.214 25525
47 1 8 "Average Difference" CB 7 1.675 0.766 1.609 25525
48 1 8 "Average Difference" HN 8 0.522 -0.122 0.543 25525
49 1 9 "Average Difference" N 8 3.398 1.972 2.958 25525
50 1 9 "Average Difference" HA 9 0.306 -0.019 0.324 25525
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25525
52 1 9 "Average Difference" CA 8 1.078 -0.030 1.152 25525
53 1 9 "Average Difference" CB 7 1.514 0.714 1.442 25525
54 1 9 "Average Difference" HN 8 0.356 -0.060 0.375 25525
55 1 10 "Average Difference" N 8 2.999 1.130 2.970 25525
56 1 10 "Average Difference" HA 9 0.232 -0.066 0.236 25525
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25525
58 1 10 "Average Difference" CA 8 1.023 -0.032 1.093 25525
59 1 10 "Average Difference" CB 7 1.412 0.666 1.345 25525
60 1 10 "Average Difference" HN 8 0.429 -0.107 0.444 25525
61 1 11 "Average Difference" N 8 3.140 1.208 3.098 25525
62 1 11 "Average Difference" HA 9 0.238 0.046 0.247 25525
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25525
64 1 11 "Average Difference" CA 8 0.982 -0.388 0.964 25525
65 1 11 "Average Difference" CB 7 1.726 0.834 1.631 25525
66 1 11 "Average Difference" HN 8 0.451 -0.095 0.472 25525
67 1 12 "Average Difference" N 8 3.046 1.311 2.939 25525
68 1 12 "Average Difference" HA 9 0.217 0.132 0.183 25525
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25525
70 1 12 "Average Difference" CA 8 0.888 -0.287 0.898 25525
71 1 12 "Average Difference" CB 7 1.586 0.603 1.584 25525
72 1 12 "Average Difference" HN 8 0.326 -0.068 0.341 25525
73 1 13 "Average Difference" N 8 3.454 1.305 3.418 25525
74 1 13 "Average Difference" HA 9 0.180 0.016 0.190 25525
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25525
76 1 13 "Average Difference" CA 8 1.035 -0.346 1.043 25525
77 1 13 "Average Difference" CB 7 1.737 0.682 1.726 25525
78 1 13 "Average Difference" HN 8 0.445 -0.182 0.434 25525
79 1 14 "Average Difference" N 8 2.485 1.193 2.331 25525
80 1 14 "Average Difference" HA 9 0.212 0.029 0.223 25525
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25525
82 1 14 "Average Difference" CA 8 1.258 -0.002 1.344 25525
83 1 14 "Average Difference" CB 7 1.351 0.718 1.235 25525
84 1 14 "Average Difference" HN 8 0.306 -0.081 0.315 25525
85 1 15 "Average Difference" N 8 3.499 0.946 3.602 25525
86 1 15 "Average Difference" HA 9 0.149 -0.018 0.157 25525
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25525
88 1 15 "Average Difference" CA 8 0.886 -0.261 0.905 25525
89 1 15 "Average Difference" CB 7 1.482 0.735 1.390 25525
90 1 15 "Average Difference" HN 8 0.506 -0.156 0.514 25525
91 1 16 "Average Difference" N 8 3.039 1.318 2.927 25525
92 1 16 "Average Difference" HA 9 0.270 -0.048 0.282 25525
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25525
94 1 16 "Average Difference" CA 8 0.987 -0.050 1.054 25525
95 1 16 "Average Difference" CB 7 1.507 0.748 1.414 25525
96 1 16 "Average Difference" HN 8 0.470 -0.146 0.478 25525
97 1 17 "Average Difference" N 8 3.000 0.976 3.032 25525
98 1 17 "Average Difference" HA 9 0.228 -0.102 0.217 25525
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25525
100 1 17 "Average Difference" CA 8 0.859 0.247 0.880 25525
101 1 17 "Average Difference" CB 7 1.276 0.698 1.153 25525
102 1 17 "Average Difference" HN 8 0.536 -0.166 0.545 25525
103 1 18 "Average Difference" N 8 3.423 0.924 3.524 25525
104 1 18 "Average Difference" HA 9 0.176 0.007 0.186 25525
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25525
106 1 18 "Average Difference" CA 8 0.914 -0.294 0.926 25525
107 1 18 "Average Difference" CB 7 1.491 0.718 1.411 25525
108 1 18 "Average Difference" HN 8 0.510 -0.175 0.512 25525
109 1 19 "Average Difference" N 8 2.801 1.415 2.584 25525
110 1 19 "Average Difference" HA 9 0.240 0.070 0.243 25525
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25525
112 1 19 "Average Difference" CA 8 1.032 -0.020 1.103 25525
113 1 19 "Average Difference" CB 7 1.562 0.729 1.492 25525
114 1 19 "Average Difference" HN 8 0.295 -0.070 0.306 25525
115 1 20 "Average Difference" N 8 3.455 0.702 3.617 25525
116 1 20 "Average Difference" HA 9 0.155 -0.004 0.165 25525
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25525
118 1 20 "Average Difference" CA 8 0.895 -0.238 0.922 25525
119 1 20 "Average Difference" CB 7 1.514 0.821 1.374 25525
120 1 20 "Average Difference" HN 8 0.486 -0.169 0.487 25525
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 25525
_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 N N 2 117.210 117.210 119.100 -1.890 25525
2 1 . 1 1 2 2 ASN HA H 2 4.677 4.677 4.812 -0.135 25525
3 1 . 1 1 2 2 ASN CA C 2 53.638 53.638 53.570 0.068 25525
4 1 . 1 1 2 2 ASN CB C 2 38.994 38.994 38.653 0.341 25525
5 1 . 1 1 2 2 ASN H H 2 8.651 8.651 8.694 -0.043 25525
6 1 . 1 1 3 3 HIS N N 3 116.338 116.338 117.768 -1.430 25525
7 1 . 1 1 3 3 HIS HA H 3 4.744 4.744 4.648 0.096 25525
8 1 . 1 1 3 3 HIS CA C 3 56.023 56.023 55.889 0.134 25525
9 1 . 1 1 3 3 HIS CB C 3 27.771 27.771 30.643 -2.872 25525
10 1 . 1 1 3 3 HIS H H 3 8.572 8.572 8.012 0.560 25525
11 1 . 1 1 4 4 TRP N N 4 120.903 120.903 127.641 -6.738 25525
12 1 . 1 1 4 4 TRP HA H 4 4.424 4.424 4.789 -0.365 25525
13 1 . 1 1 4 4 TRP CA C 4 59.589 59.589 57.988 1.601 25525
14 1 . 1 1 4 4 TRP CB C 4 30.326 30.326 30.314 0.011 25525
15 1 . 1 1 4 4 TRP H H 4 8.243 8.243 8.669 -0.426 25525
16 1 . 1 1 5 5 ALA N N 5 123.802 123.802 124.264 -0.462 25525
17 1 . 1 1 5 5 ALA HA H 5 4.146 4.146 4.264 -0.118 25525
18 1 . 1 1 5 5 ALA CA C 5 53.903 53.903 54.686 -0.783 25525
19 1 . 1 1 5 5 ALA CB C 5 18.359 18.359 18.240 0.119 25525
20 1 . 1 1 5 5 ALA H H 5 8.468 8.468 8.750 -0.282 25525
21 1 . 1 1 6 6 VAL N N 6 118.392 118.392 118.287 0.105 25525
22 1 . 1 1 6 6 VAL HA H 6 3.753 3.753 3.714 0.039 25525
23 1 . 1 1 6 6 VAL CA C 6 65.042 65.042 64.452 0.590 25525
24 1 . 1 1 6 6 VAL CB C 6 31.879 31.879 31.460 0.419 25525
25 1 . 1 1 6 6 VAL H H 6 8.030 8.030 8.153 -0.123 25525
26 1 . 1 1 7 7 GLY N N 7 108.913 108.913 105.558 3.355 25525
27 1 . 1 1 7 7 GLY CA C 7 46.250 46.250 45.797 0.453 25525
28 1 . 1 1 7 7 GLY H H 7 8.382 8.382 7.709 0.673 25525
29 1 . 1 1 8 8 HIS N N 8 116.605 116.605 119.274 -2.669 25525
30 1 . 1 1 8 8 HIS HA H 8 4.402 4.402 4.459 -0.057 25525
31 1 . 1 1 8 8 HIS CA C 8 55.580 55.580 57.204 -1.624 25525
32 1 . 1 1 8 8 HIS CB C 8 28.210 28.210 30.737 -2.527 25525
33 1 . 1 1 8 8 HIS H H 8 7.982 7.982 7.585 0.397 25525
34 1 . 1 1 9 9 LEU N N 9 119.102 119.102 119.090 0.012 25525
35 1 . 1 1 9 9 LEU HA H 9 4.269 4.269 4.257 0.012 25525
36 1 . 1 1 9 9 LEU CA C 9 56.511 56.511 56.032 0.479 25525
37 1 . 1 1 9 9 LEU CB C 9 42.422 42.422 42.758 -0.336 25525
38 1 . 1 1 9 9 LEU H H 9 8.170 8.170 7.878 0.291 25525
stop_
save_