data_25520
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25520
_Entry.PDB_ID 2N0C
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 25520
_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 2 118.479 118.479 120.086 -1.607 25520
2 1 1 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.879 -0.241 25520
3 1 1 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.020 0.269 25520
4 1 1 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.212 -0.302 25520
5 1 1 . 1 1 2 2 ASN H H 2 8.660 8.660 8.419 0.241 25520
6 1 1 . 1 1 3 3 HIS N N 3 119.562 119.562 121.729 -2.167 25520
7 1 1 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.714 -0.106 25520
8 1 1 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.140 0.370 25520
9 1 1 . 1 1 3 3 HIS CB C 3 28.993 28.993 27.880 1.113 25520
10 1 1 . 1 1 3 3 HIS H H 3 8.574 8.574 8.813 -0.239 25520
11 1 1 . 1 1 4 4 TRP N N 4 122.216 122.216 123.469 -1.253 25520
12 1 1 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.300 0.367 25520
13 1 1 . 1 1 4 4 TRP CA C 4 57.294 57.294 59.566 -2.272 25520
14 1 1 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.706 0.285 25520
15 1 1 . 1 1 4 4 TRP H H 4 8.151 8.151 7.605 0.546 25520
16 1 1 . 1 1 5 5 ALA N N 5 125.699 125.699 119.723 5.976 25520
17 1 1 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.834 -0.516 25520
18 1 1 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.799 0.683 25520
19 1 1 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.966 0.469 25520
20 1 1 . 1 1 5 5 ALA H H 5 8.227 8.227 8.390 -0.163 25520
21 1 1 . 1 1 6 6 VAL N N 6 119.498 119.498 121.566 -2.068 25520
22 1 1 . 1 1 6 6 VAL HA H 6 3.999 3.999 3.998 0.001 25520
23 1 1 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.919 1.062 25520
24 1 1 . 1 1 6 6 VAL CB C 6 32.674 32.674 34.146 -1.472 25520
25 1 1 . 1 1 6 6 VAL H H 6 8.062 8.062 8.056 0.006 25520
26 1 1 . 1 1 7 7 GLY N N 7 112.204 112.204 114.943 -2.739 25520
27 1 1 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.870 0.297 25520
28 1 1 . 1 1 7 7 GLY H H 7 8.486 8.486 8.167 0.319 25520
29 1 1 . 1 1 8 8 HIS N N 8 118.178 118.178 120.796 -2.618 25520
30 1 1 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.698 -0.062 25520
31 1 1 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.437 0.073 25520
32 1 1 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.920 -0.916 25520
33 1 1 . 1 1 8 8 HIS H H 8 8.277 8.277 8.266 0.011 25520
34 1 1 . 1 1 9 9 LEU N N 9 121.616 121.616 122.621 -1.005 25520
35 1 1 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.592 -0.288 25520
36 1 1 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.241 1.303 25520
37 1 1 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.788 -0.568 25520
38 1 1 . 1 1 9 9 LEU H H 9 8.359 8.359 7.819 0.540 25520
39 1 2 . 1 1 2 2 ASN N N 2 118.479 118.479 118.267 0.212 25520
40 1 2 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.685 -0.047 25520
41 1 2 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.515 0.774 25520
42 1 2 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.426 -0.516 25520
43 1 2 . 1 1 2 2 ASN H H 2 8.660 8.660 8.485 0.175 25520
44 1 2 . 1 1 3 3 HIS N N 3 119.562 119.562 118.593 0.969 25520
45 1 2 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.682 -0.074 25520
46 1 2 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.066 0.445 25520
47 1 2 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.720 -0.727 25520
48 1 2 . 1 1 3 3 HIS H H 3 8.574 8.574 8.625 -0.051 25520
49 1 2 . 1 1 4 4 TRP N N 4 122.216 122.216 120.916 1.300 25520
50 1 2 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.372 0.295 25520
51 1 2 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.555 -1.261 25520
52 1 2 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.671 0.320 25520
53 1 2 . 1 1 4 4 TRP H H 4 8.151 8.151 7.877 0.274 25520
54 1 2 . 1 1 5 5 ALA N N 5 125.699 125.699 120.129 5.570 25520
55 1 2 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.544 -0.226 25520
56 1 2 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.611 0.871 25520
57 1 2 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.007 0.428 25520
58 1 2 . 1 1 5 5 ALA H H 5 8.227 8.227 8.185 0.042 25520
59 1 2 . 1 1 6 6 VAL N N 6 119.498 119.498 122.112 -2.614 25520
60 1 2 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.253 -0.254 25520
61 1 2 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.251 1.730 25520
62 1 2 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.655 -0.981 25520
63 1 2 . 1 1 6 6 VAL H H 6 8.062 8.062 8.146 -0.084 25520
64 1 2 . 1 1 7 7 GLY N N 7 112.204 112.204 114.166 -1.962 25520
65 1 2 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.492 -0.325 25520
66 1 2 . 1 1 7 7 GLY H H 7 8.486 8.486 8.651 -0.165 25520
67 1 2 . 1 1 8 8 HIS N N 8 118.178 118.178 118.193 -0.015 25520
68 1 2 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.707 -0.071 25520
69 1 2 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.255 0.255 25520
70 1 2 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.082 -1.078 25520
71 1 2 . 1 1 8 8 HIS H H 8 8.277 8.277 8.329 -0.052 25520
72 1 2 . 1 1 9 9 LEU N N 9 121.616 121.616 122.536 -0.920 25520
73 1 2 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.524 -0.220 25520
74 1 2 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.225 1.319 25520
75 1 2 . 1 1 9 9 LEU CB C 9 42.220 42.220 40.360 1.860 25520
76 1 2 . 1 1 9 9 LEU H H 9 8.359 8.359 7.976 0.383 25520
77 1 3 . 1 1 2 2 ASN N N 2 118.479 118.479 118.554 -0.075 25520
78 1 3 . 1 1 2 2 ASN HA H 2 4.638 4.638 5.131 -0.493 25520
79 1 3 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.886 0.403 25520
80 1 3 . 1 1 2 2 ASN CB C 2 38.910 38.910 40.357 -1.447 25520
81 1 3 . 1 1 2 2 ASN H H 2 8.660 8.660 8.654 0.006 25520
82 1 3 . 1 1 3 3 HIS N N 3 119.562 119.562 118.010 1.552 25520
83 1 3 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.634 -0.026 25520
84 1 3 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.302 0.208 25520
85 1 3 . 1 1 3 3 HIS CB C 3 28.993 28.993 30.536 -1.543 25520
86 1 3 . 1 1 3 3 HIS H H 3 8.574 8.574 8.465 0.109 25520
87 1 3 . 1 1 4 4 TRP N N 4 122.216 122.216 121.701 0.515 25520
88 1 3 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.510 0.157 25520
89 1 3 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.038 -0.744 25520
90 1 3 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.042 -0.051 25520
91 1 3 . 1 1 4 4 TRP H H 4 8.151 8.151 8.054 0.097 25520
92 1 3 . 1 1 5 5 ALA N N 5 125.699 125.699 120.509 5.190 25520
93 1 3 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.640 -0.322 25520
94 1 3 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.689 0.793 25520
95 1 3 . 1 1 5 5 ALA CB C 5 19.435 19.435 20.122 -0.687 25520
96 1 3 . 1 1 5 5 ALA H H 5 8.227 8.227 8.156 0.071 25520
97 1 3 . 1 1 6 6 VAL N N 6 119.498 119.498 121.267 -1.769 25520
98 1 3 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.147 -0.148 25520
99 1 3 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.529 1.452 25520
100 1 3 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.246 -0.572 25520
101 1 3 . 1 1 6 6 VAL H H 6 8.062 8.062 8.387 -0.325 25520
102 1 3 . 1 1 7 7 GLY N N 7 112.204 112.204 115.003 -2.799 25520
103 1 3 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.465 0.702 25520
104 1 3 . 1 1 7 7 GLY H H 7 8.486 8.486 8.176 0.310 25520
105 1 3 . 1 1 8 8 HIS N N 8 118.178 118.178 121.402 -3.224 25520
106 1 3 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.749 -0.113 25520
107 1 3 . 1 1 8 8 HIS CA C 8 55.510 55.510 54.730 0.780 25520
108 1 3 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.194 -1.190 25520
109 1 3 . 1 1 8 8 HIS H H 8 8.277 8.277 8.172 0.105 25520
110 1 3 . 1 1 9 9 LEU N N 9 121.616 121.616 124.059 -2.443 25520
111 1 3 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.454 -0.150 25520
112 1 3 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.788 0.756 25520
113 1 3 . 1 1 9 9 LEU CB C 9 42.220 42.220 41.852 0.368 25520
114 1 3 . 1 1 9 9 LEU H H 9 8.359 8.359 8.091 0.268 25520
115 1 4 . 1 1 2 2 ASN N N 2 118.479 118.479 117.454 1.025 25520
116 1 4 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.578 0.060 25520
117 1 4 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.386 -0.097 25520
118 1 4 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.183 0.727 25520
119 1 4 . 1 1 2 2 ASN H H 2 8.660 8.660 8.522 0.138 25520
120 1 4 . 1 1 3 3 HIS N N 3 119.562 119.562 116.237 3.325 25520
121 1 4 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.720 -0.112 25520
122 1 4 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.158 0.352 25520
123 1 4 . 1 1 3 3 HIS CB C 3 28.993 28.993 30.116 -1.123 25520
124 1 4 . 1 1 3 3 HIS H H 3 8.574 8.574 8.086 0.488 25520
125 1 4 . 1 1 4 4 TRP N N 4 122.216 122.216 121.844 0.372 25520
126 1 4 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.401 0.266 25520
127 1 4 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.559 -1.265 25520
128 1 4 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.792 0.199 25520
129 1 4 . 1 1 4 4 TRP H H 4 8.151 8.151 8.032 0.119 25520
130 1 4 . 1 1 5 5 ALA N N 5 125.699 125.699 121.755 3.944 25520
131 1 4 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.780 -0.462 25520
132 1 4 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.347 1.135 25520
133 1 4 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.185 0.250 25520
134 1 4 . 1 1 5 5 ALA H H 5 8.227 8.227 8.144 0.083 25520
135 1 4 . 1 1 6 6 VAL N N 6 119.498 119.498 121.881 -2.383 25520
136 1 4 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.235 -0.236 25520
137 1 4 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.090 0.891 25520
138 1 4 . 1 1 6 6 VAL CB C 6 32.674 32.674 34.001 -1.327 25520
139 1 4 . 1 1 6 6 VAL H H 6 8.062 8.062 8.178 -0.116 25520
140 1 4 . 1 1 7 7 GLY N N 7 112.204 112.204 114.902 -2.698 25520
141 1 4 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.204 -0.037 25520
142 1 4 . 1 1 7 7 GLY H H 7 8.486 8.486 8.578 -0.092 25520
143 1 4 . 1 1 8 8 HIS N N 8 118.178 118.178 118.034 0.144 25520
144 1 4 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.728 -0.092 25520
145 1 4 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.711 -0.201 25520
146 1 4 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.012 -1.008 25520
147 1 4 . 1 1 8 8 HIS H H 8 8.277 8.277 8.393 -0.116 25520
148 1 4 . 1 1 9 9 LEU N N 9 121.616 121.616 122.842 -1.226 25520
149 1 4 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.669 -0.365 25520
150 1 4 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.300 1.244 25520
151 1 4 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.049 0.171 25520
152 1 4 . 1 1 9 9 LEU H H 9 8.359 8.359 7.767 0.592 25520
153 1 5 . 1 1 2 2 ASN N N 2 118.479 118.479 117.505 0.974 25520
154 1 5 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.825 -0.187 25520
155 1 5 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.139 0.150 25520
156 1 5 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.323 -0.413 25520
157 1 5 . 1 1 2 2 ASN H H 2 8.660 8.660 8.086 0.574 25520
158 1 5 . 1 1 3 3 HIS N N 3 119.562 119.562 118.067 1.495 25520
159 1 5 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.779 -0.171 25520
160 1 5 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.827 0.683 25520
161 1 5 . 1 1 3 3 HIS CB C 3 28.993 28.993 27.610 1.383 25520
162 1 5 . 1 1 3 3 HIS H H 3 8.574 8.574 8.015 0.559 25520
163 1 5 . 1 1 4 4 TRP N N 4 122.216 122.216 122.989 -0.773 25520
164 1 5 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.208 0.459 25520
165 1 5 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.961 -1.667 25520
166 1 5 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.585 0.406 25520
167 1 5 . 1 1 4 4 TRP H H 4 8.151 8.151 7.282 0.869 25520
168 1 5 . 1 1 5 5 ALA N N 5 125.699 125.699 119.924 5.775 25520
169 1 5 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.815 -0.497 25520
170 1 5 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.583 0.899 25520
171 1 5 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.140 0.295 25520
172 1 5 . 1 1 5 5 ALA H H 5 8.227 8.227 8.364 -0.136 25520
173 1 5 . 1 1 6 6 VAL N N 6 119.498 119.498 121.948 -2.450 25520
174 1 5 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.171 -0.172 25520
175 1 5 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.993 0.988 25520
176 1 5 . 1 1 6 6 VAL CB C 6 32.674 32.674 34.310 -1.636 25520
177 1 5 . 1 1 6 6 VAL H H 6 8.062 8.062 7.975 0.087 25520
178 1 5 . 1 1 7 7 GLY N N 7 112.204 112.204 113.956 -1.752 25520
179 1 5 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.951 0.216 25520
180 1 5 . 1 1 7 7 GLY H H 7 8.486 8.486 8.308 0.178 25520
181 1 5 . 1 1 8 8 HIS N N 8 118.178 118.178 120.120 -1.942 25520
182 1 5 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.814 -0.178 25520
183 1 5 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.528 -0.018 25520
184 1 5 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.256 -0.252 25520
185 1 5 . 1 1 8 8 HIS H H 8 8.277 8.277 8.648 -0.371 25520
186 1 5 . 1 1 9 9 LEU N N 9 121.616 121.616 117.216 4.400 25520
187 1 5 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.551 -0.247 25520
188 1 5 . 1 1 9 9 LEU CA C 9 55.544 55.544 55.114 0.430 25520
189 1 5 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.797 -0.577 25520
190 1 5 . 1 1 9 9 LEU H H 9 8.359 8.359 7.925 0.434 25520
191 1 6 . 1 1 2 2 ASN N N 2 118.479 118.479 118.433 0.046 25520
192 1 6 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.647 -0.009 25520
193 1 6 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.831 -0.542 25520
194 1 6 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.503 0.407 25520
195 1 6 . 1 1 2 2 ASN H H 2 8.660 8.660 8.555 0.105 25520
196 1 6 . 1 1 3 3 HIS N N 3 119.562 119.562 118.523 1.039 25520
197 1 6 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.548 0.060 25520
198 1 6 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.740 -0.230 25520
199 1 6 . 1 1 3 3 HIS CB C 3 28.993 28.993 27.890 1.103 25520
200 1 6 . 1 1 3 3 HIS H H 3 8.574 8.574 8.441 0.133 25520
201 1 6 . 1 1 4 4 TRP N N 4 122.216 122.216 122.803 -0.587 25520
202 1 6 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.553 0.114 25520
203 1 6 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.209 -0.915 25520
204 1 6 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.421 -0.430 25520
205 1 6 . 1 1 4 4 TRP H H 4 8.151 8.151 7.768 0.383 25520
206 1 6 . 1 1 5 5 ALA N N 5 125.699 125.699 122.186 3.513 25520
207 1 6 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.817 -0.499 25520
208 1 6 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.485 0.997 25520
209 1 6 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.365 0.070 25520
210 1 6 . 1 1 5 5 ALA H H 5 8.227 8.227 8.393 -0.166 25520
211 1 6 . 1 1 6 6 VAL N N 6 119.498 119.498 121.357 -1.859 25520
212 1 6 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.081 -0.082 25520
213 1 6 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.459 1.522 25520
214 1 6 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.807 -1.133 25520
215 1 6 . 1 1 6 6 VAL H H 6 8.062 8.062 8.333 -0.271 25520
216 1 6 . 1 1 7 7 GLY N N 7 112.204 112.204 115.577 -3.373 25520
217 1 6 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.872 0.295 25520
218 1 6 . 1 1 7 7 GLY H H 7 8.486 8.486 8.274 0.212 25520
219 1 6 . 1 1 8 8 HIS N N 8 118.178 118.178 117.835 0.343 25520
220 1 6 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.874 -0.238 25520
221 1 6 . 1 1 8 8 HIS CA C 8 55.510 55.510 54.689 0.821 25520
222 1 6 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.623 -0.619 25520
223 1 6 . 1 1 8 8 HIS H H 8 8.277 8.277 8.106 0.171 25520
224 1 6 . 1 1 9 9 LEU N N 9 121.616 121.616 120.378 1.238 25520
225 1 6 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.471 -0.167 25520
226 1 6 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.809 0.735 25520
227 1 6 . 1 1 9 9 LEU CB C 9 42.220 42.220 41.387 0.833 25520
228 1 6 . 1 1 9 9 LEU H H 9 8.359 8.359 8.104 0.255 25520
229 1 7 . 1 1 2 2 ASN N N 2 118.479 118.479 118.085 0.394 25520
230 1 7 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.781 -0.143 25520
231 1 7 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.649 0.640 25520
232 1 7 . 1 1 2 2 ASN CB C 2 38.910 38.910 40.170 -1.260 25520
233 1 7 . 1 1 2 2 ASN H H 2 8.660 8.660 8.546 0.114 25520
234 1 7 . 1 1 3 3 HIS N N 3 119.562 119.562 118.699 0.863 25520
235 1 7 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.576 0.032 25520
236 1 7 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.802 -0.292 25520
237 1 7 . 1 1 3 3 HIS CB C 3 28.993 28.993 30.026 -1.033 25520
238 1 7 . 1 1 3 3 HIS H H 3 8.574 8.574 8.678 -0.104 25520
239 1 7 . 1 1 4 4 TRP N N 4 122.216 122.216 122.172 0.044 25520
240 1 7 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.641 0.026 25520
241 1 7 . 1 1 4 4 TRP CA C 4 57.294 57.294 57.764 -0.470 25520
242 1 7 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.165 -0.174 25520
243 1 7 . 1 1 4 4 TRP H H 4 8.151 8.151 7.780 0.371 25520
244 1 7 . 1 1 5 5 ALA N N 5 125.699 125.699 123.075 2.624 25520
245 1 7 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.800 -0.482 25520
246 1 7 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.623 0.859 25520
247 1 7 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.982 0.453 25520
248 1 7 . 1 1 5 5 ALA H H 5 8.227 8.227 8.086 0.141 25520
249 1 7 . 1 1 6 6 VAL N N 6 119.498 119.498 121.336 -1.838 25520
250 1 7 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.336 -0.337 25520
251 1 7 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.069 0.912 25520
252 1 7 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.358 -0.684 25520
253 1 7 . 1 1 6 6 VAL H H 6 8.062 8.062 8.042 0.020 25520
254 1 7 . 1 1 7 7 GLY N N 7 112.204 112.204 115.674 -3.470 25520
255 1 7 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.098 0.069 25520
256 1 7 . 1 1 7 7 GLY H H 7 8.486 8.486 8.732 -0.246 25520
257 1 7 . 1 1 8 8 HIS N N 8 118.178 118.178 117.653 0.525 25520
258 1 7 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.720 -0.084 25520
259 1 7 . 1 1 8 8 HIS CA C 8 55.510 55.510 56.081 -0.571 25520
260 1 7 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.770 -0.766 25520
261 1 7 . 1 1 8 8 HIS H H 8 8.277 8.277 8.489 -0.212 25520
262 1 7 . 1 1 9 9 LEU N N 9 121.616 121.616 117.989 3.627 25520
263 1 7 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.806 -0.502 25520
264 1 7 . 1 1 9 9 LEU CA C 9 55.544 55.544 53.848 1.696 25520
265 1 7 . 1 1 9 9 LEU CB C 9 42.220 42.220 44.004 -1.784 25520
266 1 7 . 1 1 9 9 LEU H H 9 8.359 8.359 7.740 0.619 25520
267 1 8 . 1 1 2 2 ASN N N 2 118.479 118.479 118.196 0.283 25520
268 1 8 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.467 0.171 25520
269 1 8 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.254 0.035 25520
270 1 8 . 1 1 2 2 ASN CB C 2 38.910 38.910 37.974 0.936 25520
271 1 8 . 1 1 2 2 ASN H H 2 8.660 8.660 8.391 0.269 25520
272 1 8 . 1 1 3 3 HIS N N 3 119.562 119.562 117.376 2.186 25520
273 1 8 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.705 -0.097 25520
274 1 8 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.285 1.225 25520
275 1 8 . 1 1 3 3 HIS CB C 3 28.993 28.993 28.099 0.894 25520
276 1 8 . 1 1 3 3 HIS H H 3 8.574 8.574 8.438 0.136 25520
277 1 8 . 1 1 4 4 TRP N N 4 122.216 122.216 123.337 -1.121 25520
278 1 8 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.611 0.056 25520
279 1 8 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.043 -0.749 25520
280 1 8 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.297 -0.306 25520
281 1 8 . 1 1 4 4 TRP H H 4 8.151 8.151 7.902 0.249 25520
282 1 8 . 1 1 5 5 ALA N N 5 125.699 125.699 121.049 4.650 25520
283 1 8 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.706 -0.388 25520
284 1 8 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.837 0.645 25520
285 1 8 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.191 0.244 25520
286 1 8 . 1 1 5 5 ALA H H 5 8.227 8.227 8.365 -0.138 25520
287 1 8 . 1 1 6 6 VAL N N 6 119.498 119.498 121.718 -2.220 25520
288 1 8 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.172 -0.173 25520
289 1 8 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.080 0.901 25520
290 1 8 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.815 -1.141 25520
291 1 8 . 1 1 6 6 VAL H H 6 8.062 8.062 8.106 -0.044 25520
292 1 8 . 1 1 7 7 GLY N N 7 112.204 112.204 114.781 -2.577 25520
293 1 8 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.990 0.177 25520
294 1 8 . 1 1 7 7 GLY H H 7 8.486 8.486 8.269 0.217 25520
295 1 8 . 1 1 8 8 HIS N N 8 118.178 118.178 120.740 -2.562 25520
296 1 8 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.706 -0.070 25520
297 1 8 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.458 0.052 25520
298 1 8 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.799 -0.795 25520
299 1 8 . 1 1 8 8 HIS H H 8 8.277 8.277 8.360 -0.083 25520
300 1 8 . 1 1 9 9 LEU N N 9 121.616 121.616 123.431 -1.815 25520
301 1 8 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.394 -0.090 25520
302 1 8 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.578 0.966 25520
303 1 8 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.444 -0.224 25520
304 1 8 . 1 1 9 9 LEU H H 9 8.359 8.359 7.826 0.533 25520
305 1 9 . 1 1 2 2 ASN N N 2 118.479 118.479 117.953 0.526 25520
306 1 9 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.626 0.012 25520
307 1 9 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.496 -0.207 25520
308 1 9 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.863 0.047 25520
309 1 9 . 1 1 2 2 ASN H H 2 8.660 8.660 8.463 0.197 25520
310 1 9 . 1 1 3 3 HIS N N 3 119.562 119.562 122.413 -2.851 25520
311 1 9 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.737 -0.129 25520
312 1 9 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.280 0.230 25520
313 1 9 . 1 1 3 3 HIS CB C 3 28.993 28.993 28.095 0.898 25520
314 1 9 . 1 1 3 3 HIS H H 3 8.574 8.574 8.812 -0.238 25520
315 1 9 . 1 1 4 4 TRP N N 4 122.216 122.216 122.372 -0.156 25520
316 1 9 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.331 0.336 25520
317 1 9 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.674 -1.380 25520
318 1 9 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.708 0.283 25520
319 1 9 . 1 1 4 4 TRP H H 4 8.151 8.151 7.741 0.410 25520
320 1 9 . 1 1 5 5 ALA N N 5 125.699 125.699 119.780 5.919 25520
321 1 9 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.518 -0.200 25520
322 1 9 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.739 0.743 25520
323 1 9 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.969 0.466 25520
324 1 9 . 1 1 5 5 ALA H H 5 8.227 8.227 8.304 -0.077 25520
325 1 9 . 1 1 6 6 VAL N N 6 119.498 119.498 121.952 -2.454 25520
326 1 9 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.171 -0.172 25520
327 1 9 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.334 0.647 25520
328 1 9 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.993 -1.319 25520
329 1 9 . 1 1 6 6 VAL H H 6 8.062 8.062 8.145 -0.083 25520
330 1 9 . 1 1 7 7 GLY N N 7 112.204 112.204 113.990 -1.786 25520
331 1 9 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.009 0.158 25520
332 1 9 . 1 1 7 7 GLY H H 7 8.486 8.486 8.233 0.253 25520
333 1 9 . 1 1 8 8 HIS N N 8 118.178 118.178 119.624 -1.446 25520
334 1 9 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.699 -0.063 25520
335 1 9 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.829 -0.319 25520
336 1 9 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.454 -0.450 25520
337 1 9 . 1 1 8 8 HIS H H 8 8.277 8.277 8.290 -0.013 25520
338 1 9 . 1 1 9 9 LEU N N 9 121.616 121.616 121.974 -0.358 25520
339 1 9 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.544 -0.240 25520
340 1 9 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.765 0.779 25520
341 1 9 . 1 1 9 9 LEU CB C 9 42.220 42.220 44.238 -2.018 25520
342 1 9 . 1 1 9 9 LEU H H 9 8.359 8.359 7.457 0.902 25520
343 1 10 . 1 1 2 2 ASN N N 2 118.479 118.479 120.036 -1.557 25520
344 1 10 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.845 -0.206 25520
345 1 10 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.963 0.326 25520
346 1 10 . 1 1 2 2 ASN CB C 2 38.910 38.910 40.690 -1.780 25520
347 1 10 . 1 1 2 2 ASN H H 2 8.660 8.660 8.376 0.284 25520
348 1 10 . 1 1 3 3 HIS N N 3 119.562 119.562 122.635 -3.073 25520
349 1 10 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.703 -0.095 25520
350 1 10 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.530 -0.020 25520
351 1 10 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.929 -0.936 25520
352 1 10 . 1 1 3 3 HIS H H 3 8.574 8.574 8.603 -0.029 25520
353 1 10 . 1 1 4 4 TRP N N 4 122.216 122.216 121.274 0.942 25520
354 1 10 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.400 0.267 25520
355 1 10 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.532 -1.238 25520
356 1 10 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.921 0.070 25520
357 1 10 . 1 1 4 4 TRP H H 4 8.151 8.151 7.827 0.324 25520
358 1 10 . 1 1 5 5 ALA N N 5 125.699 125.699 119.933 5.766 25520
359 1 10 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.616 -0.298 25520
360 1 10 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.826 0.656 25520
361 1 10 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.604 -0.169 25520
362 1 10 . 1 1 5 5 ALA H H 5 8.227 8.227 8.216 0.011 25520
363 1 10 . 1 1 6 6 VAL N N 6 119.498 119.498 121.856 -2.358 25520
364 1 10 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.274 -0.275 25520
365 1 10 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.354 0.627 25520
366 1 10 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.880 -1.206 25520
367 1 10 . 1 1 6 6 VAL H H 6 8.062 8.062 8.078 -0.016 25520
368 1 10 . 1 1 7 7 GLY N N 7 112.204 112.204 117.172 -4.968 25520
369 1 10 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.910 0.257 25520
370 1 10 . 1 1 7 7 GLY H H 7 8.486 8.486 8.841 -0.355 25520
371 1 10 . 1 1 8 8 HIS N N 8 118.178 118.178 118.398 -0.220 25520
372 1 10 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.695 -0.059 25520
373 1 10 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.843 -0.333 25520
374 1 10 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.952 -0.948 25520
375 1 10 . 1 1 8 8 HIS H H 8 8.277 8.277 8.080 0.197 25520
376 1 10 . 1 1 9 9 LEU N N 9 121.616 121.616 122.765 -1.149 25520
377 1 10 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.603 -0.299 25520
378 1 10 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.343 1.201 25520
379 1 10 . 1 1 9 9 LEU CB C 9 42.220 42.220 43.580 -1.360 25520
380 1 10 . 1 1 9 9 LEU H H 9 8.359 8.359 7.757 0.602 25520
381 1 11 . 1 1 2 2 ASN N N 2 118.479 118.479 118.631 -0.152 25520
382 1 11 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.604 0.034 25520
383 1 11 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.725 0.564 25520
384 1 11 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.583 0.327 25520
385 1 11 . 1 1 2 2 ASN H H 2 8.660 8.660 8.216 0.444 25520
386 1 11 . 1 1 3 3 HIS N N 3 119.562 119.562 126.982 -7.420 25520
387 1 11 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.721 -0.113 25520
388 1 11 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.375 1.135 25520
389 1 11 . 1 1 3 3 HIS CB C 3 28.993 28.993 28.315 0.678 25520
390 1 11 . 1 1 3 3 HIS H H 3 8.574 8.574 8.572 0.002 25520
391 1 11 . 1 1 4 4 TRP N N 4 122.216 122.216 125.182 -2.966 25520
392 1 11 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.287 0.380 25520
393 1 11 . 1 1 4 4 TRP CA C 4 57.294 57.294 59.371 -2.077 25520
394 1 11 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.700 0.291 25520
395 1 11 . 1 1 4 4 TRP H H 4 8.151 8.151 7.986 0.165 25520
396 1 11 . 1 1 5 5 ALA N N 5 125.699 125.699 119.838 5.861 25520
397 1 11 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.539 -0.221 25520
398 1 11 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.788 0.694 25520
399 1 11 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.737 0.698 25520
400 1 11 . 1 1 5 5 ALA H H 5 8.227 8.227 8.351 -0.124 25520
401 1 11 . 1 1 6 6 VAL N N 6 119.498 119.498 121.096 -1.598 25520
402 1 11 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.199 -0.200 25520
403 1 11 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.406 0.575 25520
404 1 11 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.394 -0.720 25520
405 1 11 . 1 1 6 6 VAL H H 6 8.062 8.062 8.244 -0.182 25520
406 1 11 . 1 1 7 7 GLY N N 7 112.204 112.204 115.742 -3.538 25520
407 1 11 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.595 0.572 25520
408 1 11 . 1 1 7 7 GLY H H 7 8.486 8.486 8.521 -0.035 25520
409 1 11 . 1 1 8 8 HIS N N 8 118.178 118.178 120.047 -1.869 25520
410 1 11 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.677 -0.041 25520
411 1 11 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.388 0.122 25520
412 1 11 . 1 1 8 8 HIS CB C 8 29.004 29.004 28.878 0.126 25520
413 1 11 . 1 1 8 8 HIS H H 8 8.277 8.277 8.366 -0.089 25520
414 1 11 . 1 1 9 9 LEU N N 9 121.616 121.616 121.967 -0.351 25520
415 1 11 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.601 -0.297 25520
416 1 11 . 1 1 9 9 LEU CA C 9 55.544 55.544 53.993 1.551 25520
417 1 11 . 1 1 9 9 LEU CB C 9 42.220 42.220 43.612 -1.392 25520
418 1 11 . 1 1 9 9 LEU H H 9 8.359 8.359 7.687 0.672 25520
419 1 12 . 1 1 2 2 ASN N N 2 118.479 118.479 121.361 -2.882 25520
420 1 12 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.746 -0.108 25520
421 1 12 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.273 0.016 25520
422 1 12 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.766 -0.856 25520
423 1 12 . 1 1 2 2 ASN H H 2 8.660 8.660 8.501 0.159 25520
424 1 12 . 1 1 3 3 HIS N N 3 119.562 119.562 118.814 0.748 25520
425 1 12 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.766 -0.158 25520
426 1 12 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.577 0.933 25520
427 1 12 . 1 1 3 3 HIS CB C 3 28.993 28.993 28.934 0.059 25520
428 1 12 . 1 1 3 3 HIS H H 3 8.574 8.574 7.876 0.698 25520
429 1 12 . 1 1 4 4 TRP N N 4 122.216 122.216 122.623 -0.407 25520
430 1 12 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.338 0.329 25520
431 1 12 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.666 -1.372 25520
432 1 12 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.642 0.348 25520
433 1 12 . 1 1 4 4 TRP H H 4 8.151 8.151 7.774 0.377 25520
434 1 12 . 1 1 5 5 ALA N N 5 125.699 125.699 120.049 5.650 25520
435 1 12 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.339 -0.021 25520
436 1 12 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.169 1.313 25520
437 1 12 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.003 0.431 25520
438 1 12 . 1 1 5 5 ALA H H 5 8.227 8.227 8.208 0.019 25520
439 1 12 . 1 1 6 6 VAL N N 6 119.498 119.498 121.927 -2.429 25520
440 1 12 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.254 -0.255 25520
441 1 12 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.150 0.831 25520
442 1 12 . 1 1 6 6 VAL CB C 6 32.674 32.674 34.429 -1.755 25520
443 1 12 . 1 1 6 6 VAL H H 6 8.062 8.062 8.303 -0.241 25520
444 1 12 . 1 1 7 7 GLY N N 7 112.204 112.204 114.652 -2.448 25520
445 1 12 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.598 -0.431 25520
446 1 12 . 1 1 7 7 GLY H H 7 8.486 8.486 8.656 -0.170 25520
447 1 12 . 1 1 8 8 HIS N N 8 118.178 118.178 117.631 0.547 25520
448 1 12 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.582 0.054 25520
449 1 12 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.596 -0.087 25520
450 1 12 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.135 -1.131 25520
451 1 12 . 1 1 8 8 HIS H H 8 8.277 8.277 8.430 -0.153 25520
452 1 12 . 1 1 9 9 LEU N N 9 121.616 121.616 118.965 2.651 25520
453 1 12 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.761 -0.457 25520
454 1 12 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.277 1.267 25520
455 1 12 . 1 1 9 9 LEU CB C 9 42.220 42.220 43.211 -0.991 25520
456 1 12 . 1 1 9 9 LEU H H 9 8.359 8.359 7.538 0.821 25520
457 1 13 . 1 1 2 2 ASN N N 2 118.479 118.479 118.921 -0.442 25520
458 1 13 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.922 -0.284 25520
459 1 13 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.676 0.613 25520
460 1 13 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.912 -0.002 25520
461 1 13 . 1 1 2 2 ASN H H 2 8.660 8.660 8.678 -0.018 25520
462 1 13 . 1 1 3 3 HIS N N 3 119.562 119.562 114.896 4.666 25520
463 1 13 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.678 -0.070 25520
464 1 13 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.851 0.659 25520
465 1 13 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.075 -0.082 25520
466 1 13 . 1 1 3 3 HIS H H 3 8.574 8.574 7.701 0.873 25520
467 1 13 . 1 1 4 4 TRP N N 4 122.216 122.216 122.734 -0.518 25520
468 1 13 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.401 0.266 25520
469 1 13 . 1 1 4 4 TRP CA C 4 57.294 57.294 57.464 -0.170 25520
470 1 13 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.676 0.315 25520
471 1 13 . 1 1 4 4 TRP H H 4 8.151 8.151 7.861 0.290 25520
472 1 13 . 1 1 5 5 ALA N N 5 125.699 125.699 122.720 2.979 25520
473 1 13 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.839 -0.521 25520
474 1 13 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.487 0.995 25520
475 1 13 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.985 0.450 25520
476 1 13 . 1 1 5 5 ALA H H 5 8.227 8.227 8.166 0.061 25520
477 1 13 . 1 1 6 6 VAL N N 6 119.498 119.498 121.293 -1.795 25520
478 1 13 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.308 -0.309 25520
479 1 13 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.489 0.492 25520
480 1 13 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.888 -1.214 25520
481 1 13 . 1 1 6 6 VAL H H 6 8.062 8.062 8.435 -0.373 25520
482 1 13 . 1 1 7 7 GLY N N 7 112.204 112.204 114.312 -2.108 25520
483 1 13 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.091 0.076 25520
484 1 13 . 1 1 7 7 GLY H H 7 8.486 8.486 8.730 -0.244 25520
485 1 13 . 1 1 8 8 HIS N N 8 118.178 118.178 117.775 0.403 25520
486 1 13 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.931 -0.295 25520
487 1 13 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.688 -0.179 25520
488 1 13 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.052 -1.048 25520
489 1 13 . 1 1 8 8 HIS H H 8 8.277 8.277 8.429 -0.152 25520
490 1 13 . 1 1 9 9 LEU N N 9 121.616 121.616 121.128 0.488 25520
491 1 13 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.510 -0.206 25520
492 1 13 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.859 0.685 25520
493 1 13 . 1 1 9 9 LEU CB C 9 42.220 42.220 43.177 -0.957 25520
494 1 13 . 1 1 9 9 LEU H H 9 8.359 8.359 8.243 0.116 25520
495 1 14 . 1 1 2 2 ASN N N 2 118.479 118.479 118.106 0.373 25520
496 1 14 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.630 0.008 25520
497 1 14 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.374 0.915 25520
498 1 14 . 1 1 2 2 ASN CB C 2 38.910 38.910 40.217 -1.307 25520
499 1 14 . 1 1 2 2 ASN H H 2 8.660 8.660 8.465 0.195 25520
500 1 14 . 1 1 3 3 HIS N N 3 119.562 119.562 118.984 0.578 25520
501 1 14 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.771 -0.163 25520
502 1 14 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.569 -0.059 25520
503 1 14 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.627 -0.633 25520
504 1 14 . 1 1 3 3 HIS H H 3 8.574 8.574 8.594 -0.020 25520
505 1 14 . 1 1 4 4 TRP N N 4 122.216 122.216 126.118 -3.902 25520
506 1 14 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.418 0.249 25520
507 1 14 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.347 -1.054 25520
508 1 14 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.082 -0.091 25520
509 1 14 . 1 1 4 4 TRP H H 4 8.151 8.151 8.349 -0.198 25520
510 1 14 . 1 1 5 5 ALA N N 5 125.699 125.699 119.926 5.773 25520
511 1 14 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.672 -0.354 25520
512 1 14 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.788 0.694 25520
513 1 14 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.118 0.317 25520
514 1 14 . 1 1 5 5 ALA H H 5 8.227 8.227 8.251 -0.024 25520
515 1 14 . 1 1 6 6 VAL N N 6 119.498 119.498 122.388 -2.890 25520
516 1 14 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.308 -0.309 25520
517 1 14 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.980 1.001 25520
518 1 14 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.525 -0.851 25520
519 1 14 . 1 1 6 6 VAL H H 6 8.062 8.062 8.401 -0.339 25520
520 1 14 . 1 1 7 7 GLY N N 7 112.204 112.204 114.011 -1.807 25520
521 1 14 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.315 -0.148 25520
522 1 14 . 1 1 7 7 GLY H H 7 8.486 8.486 8.654 -0.168 25520
523 1 14 . 1 1 8 8 HIS N N 8 118.178 118.178 118.455 -0.277 25520
524 1 14 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.680 -0.044 25520
525 1 14 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.495 0.015 25520
526 1 14 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.919 -0.915 25520
527 1 14 . 1 1 8 8 HIS H H 8 8.277 8.277 8.384 -0.107 25520
528 1 14 . 1 1 9 9 LEU N N 9 121.616 121.616 122.997 -1.381 25520
529 1 14 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.503 -0.199 25520
530 1 14 . 1 1 9 9 LEU CA C 9 55.544 55.544 53.974 1.570 25520
531 1 14 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.556 -0.336 25520
532 1 14 . 1 1 9 9 LEU H H 9 8.359 8.359 7.709 0.650 25520
533 1 15 . 1 1 2 2 ASN N N 2 118.479 118.479 120.341 -1.862 25520
534 1 15 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.734 -0.096 25520
535 1 15 . 1 1 2 2 ASN CA C 2 53.289 53.289 53.276 0.013 25520
536 1 15 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.759 -0.849 25520
537 1 15 . 1 1 2 2 ASN H H 2 8.660 8.660 8.403 0.257 25520
538 1 15 . 1 1 3 3 HIS N N 3 119.562 119.562 120.240 -0.678 25520
539 1 15 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.828 -0.220 25520
540 1 15 . 1 1 3 3 HIS CA C 3 55.510 55.510 54.760 0.750 25520
541 1 15 . 1 1 3 3 HIS CB C 3 28.993 28.993 28.894 0.099 25520
542 1 15 . 1 1 3 3 HIS H H 3 8.574 8.574 7.945 0.629 25520
543 1 15 . 1 1 4 4 TRP N N 4 122.216 122.216 124.388 -2.172 25520
544 1 15 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.222 0.445 25520
545 1 15 . 1 1 4 4 TRP CA C 4 57.294 57.294 59.248 -1.954 25520
546 1 15 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.545 0.446 25520
547 1 15 . 1 1 4 4 TRP H H 4 8.151 8.151 8.220 -0.069 25520
548 1 15 . 1 1 5 5 ALA N N 5 125.699 125.699 119.752 5.947 25520
549 1 15 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.582 -0.264 25520
550 1 15 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.596 0.886 25520
551 1 15 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.895 0.540 25520
552 1 15 . 1 1 5 5 ALA H H 5 8.227 8.227 8.174 0.053 25520
553 1 15 . 1 1 6 6 VAL N N 6 119.498 119.498 121.847 -2.349 25520
554 1 15 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.041 -0.042 25520
555 1 15 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.480 1.500 25520
556 1 15 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.751 -1.077 25520
557 1 15 . 1 1 6 6 VAL H H 6 8.062 8.062 8.233 -0.171 25520
558 1 15 . 1 1 7 7 GLY N N 7 112.204 112.204 115.992 -3.788 25520
559 1 15 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.881 0.286 25520
560 1 15 . 1 1 7 7 GLY H H 7 8.486 8.486 8.292 0.194 25520
561 1 15 . 1 1 8 8 HIS N N 8 118.178 118.178 119.227 -1.049 25520
562 1 15 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.775 -0.139 25520
563 1 15 . 1 1 8 8 HIS CA C 8 55.510 55.510 53.996 1.514 25520
564 1 15 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.562 -0.558 25520
565 1 15 . 1 1 8 8 HIS H H 8 8.277 8.277 8.142 0.135 25520
566 1 15 . 1 1 9 9 LEU N N 9 121.616 121.616 123.786 -2.170 25520
567 1 15 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.516 -0.212 25520
568 1 15 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.408 1.136 25520
569 1 15 . 1 1 9 9 LEU CB C 9 42.220 42.220 41.689 0.531 25520
570 1 15 . 1 1 9 9 LEU H H 9 8.359 8.359 8.044 0.315 25520
571 1 16 . 1 1 2 2 ASN N N 2 118.479 118.479 119.612 -1.133 25520
572 1 16 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.657 -0.019 25520
573 1 16 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.497 0.792 25520
574 1 16 . 1 1 2 2 ASN CB C 2 38.910 38.910 38.993 -0.083 25520
575 1 16 . 1 1 2 2 ASN H H 2 8.660 8.660 8.308 0.352 25520
576 1 16 . 1 1 3 3 HIS N N 3 119.562 119.562 121.167 -1.605 25520
577 1 16 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.716 -0.108 25520
578 1 16 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.343 0.167 25520
579 1 16 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.520 -0.527 25520
580 1 16 . 1 1 3 3 HIS H H 3 8.574 8.574 8.525 0.049 25520
581 1 16 . 1 1 4 4 TRP N N 4 122.216 122.216 123.564 -1.348 25520
582 1 16 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.581 0.086 25520
583 1 16 . 1 1 4 4 TRP CA C 4 57.294 57.294 57.926 -0.632 25520
584 1 16 . 1 1 4 4 TRP CB C 4 29.991 29.991 30.452 -0.461 25520
585 1 16 . 1 1 4 4 TRP H H 4 8.151 8.151 8.229 -0.078 25520
586 1 16 . 1 1 5 5 ALA N N 5 125.699 125.699 121.825 3.874 25520
587 1 16 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.815 -0.497 25520
588 1 16 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.919 0.563 25520
589 1 16 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.710 -0.275 25520
590 1 16 . 1 1 5 5 ALA H H 5 8.227 8.227 8.343 -0.116 25520
591 1 16 . 1 1 6 6 VAL N N 6 119.498 119.498 121.271 -1.773 25520
592 1 16 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.324 -0.325 25520
593 1 16 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.677 0.304 25520
594 1 16 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.289 -0.615 25520
595 1 16 . 1 1 6 6 VAL H H 6 8.062 8.062 8.520 -0.458 25520
596 1 16 . 1 1 7 7 GLY N N 7 112.204 112.204 114.381 -2.177 25520
597 1 16 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.836 0.331 25520
598 1 16 . 1 1 7 7 GLY H H 7 8.486 8.486 8.736 -0.250 25520
599 1 16 . 1 1 8 8 HIS N N 8 118.178 118.178 118.378 -0.200 25520
600 1 16 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.712 -0.076 25520
601 1 16 . 1 1 8 8 HIS CA C 8 55.510 55.510 54.894 0.616 25520
602 1 16 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.778 -0.774 25520
603 1 16 . 1 1 8 8 HIS H H 8 8.277 8.277 8.251 0.026 25520
604 1 16 . 1 1 9 9 LEU N N 9 121.616 121.616 123.523 -1.907 25520
605 1 16 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.293 0.011 25520
606 1 16 . 1 1 9 9 LEU CA C 9 55.544 55.544 55.711 -0.167 25520
607 1 16 . 1 1 9 9 LEU CB C 9 42.220 42.220 40.938 1.282 25520
608 1 16 . 1 1 9 9 LEU H H 9 8.359 8.359 8.108 0.251 25520
609 1 17 . 1 1 2 2 ASN N N 2 118.479 118.479 116.312 2.167 25520
610 1 17 . 1 1 2 2 ASN HA H 2 4.638 4.638 5.004 -0.366 25520
611 1 17 . 1 1 2 2 ASN CA C 2 53.289 53.289 51.905 1.384 25520
612 1 17 . 1 1 2 2 ASN CB C 2 38.910 38.910 40.331 -1.421 25520
613 1 17 . 1 1 2 2 ASN H H 2 8.660 8.660 8.620 0.040 25520
614 1 17 . 1 1 3 3 HIS N N 3 119.562 119.562 117.507 2.055 25520
615 1 17 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.686 -0.078 25520
616 1 17 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.155 0.355 25520
617 1 17 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.472 -0.479 25520
618 1 17 . 1 1 3 3 HIS H H 3 8.574 8.574 8.393 0.181 25520
619 1 17 . 1 1 4 4 TRP N N 4 122.216 122.216 122.968 -0.752 25520
620 1 17 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.282 0.385 25520
621 1 17 . 1 1 4 4 TRP CA C 4 57.294 57.294 59.392 -2.098 25520
622 1 17 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.850 0.141 25520
623 1 17 . 1 1 4 4 TRP H H 4 8.151 8.151 7.929 0.222 25520
624 1 17 . 1 1 5 5 ALA N N 5 125.699 125.699 119.732 5.967 25520
625 1 17 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.658 -0.340 25520
626 1 17 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.608 0.874 25520
627 1 17 . 1 1 5 5 ALA CB C 5 19.435 19.435 18.959 0.475 25520
628 1 17 . 1 1 5 5 ALA H H 5 8.227 8.227 8.508 -0.281 25520
629 1 17 . 1 1 6 6 VAL N N 6 119.498 119.498 122.833 -3.335 25520
630 1 17 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.261 -0.262 25520
631 1 17 . 1 1 6 6 VAL CA C 6 62.981 62.981 61.841 1.140 25520
632 1 17 . 1 1 6 6 VAL CB C 6 32.674 32.674 34.161 -1.487 25520
633 1 17 . 1 1 6 6 VAL H H 6 8.062 8.062 8.249 -0.187 25520
634 1 17 . 1 1 7 7 GLY N N 7 112.204 112.204 114.663 -2.459 25520
635 1 17 . 1 1 7 7 GLY CA C 7 45.167 45.167 44.883 0.284 25520
636 1 17 . 1 1 7 7 GLY H H 7 8.486 8.486 8.106 0.380 25520
637 1 17 . 1 1 8 8 HIS N N 8 118.178 118.178 119.860 -1.682 25520
638 1 17 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.835 -0.199 25520
639 1 17 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.343 0.167 25520
640 1 17 . 1 1 8 8 HIS CB C 8 29.004 29.004 30.197 -1.193 25520
641 1 17 . 1 1 8 8 HIS H H 8 8.277 8.277 8.336 -0.059 25520
642 1 17 . 1 1 9 9 LEU N N 9 121.616 121.616 120.970 0.646 25520
643 1 17 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.588 -0.284 25520
644 1 17 . 1 1 9 9 LEU CA C 9 55.544 55.544 56.069 -0.525 25520
645 1 17 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.953 -0.733 25520
646 1 17 . 1 1 9 9 LEU H H 9 8.359 8.359 8.113 0.246 25520
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 2.833 0.935 2.859 25520
2 1 1 "Average Difference" HA 9 0.271 0.043 0.284 25520
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25520
4 1 1 "Average Difference" CA 8 1.046 -0.223 1.093 25520
5 1 1 "Average Difference" CB 7 0.842 0.199 0.883 25520
6 1 1 "Average Difference" HN 8 0.323 -0.158 0.301 25520
7 1 2 "Average Difference" N 8 2.378 -0.317 2.519 25520
8 1 2 "Average Difference" HA 9 0.216 0.004 0.229 25520
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25520
10 1 2 "Average Difference" CA 8 1.003 -0.476 0.944 25520
11 1 2 "Average Difference" CB 7 0.976 0.099 1.048 25520
12 1 2 "Average Difference" HN 8 0.192 -0.065 0.193 25520
13 1 3 "Average Difference" N 8 2.668 0.382 2.823 25520
14 1 3 "Average Difference" HA 9 0.240 0.075 0.242 25520
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25520
16 1 3 "Average Difference" CA 8 0.804 -0.544 0.633 25520
17 1 3 "Average Difference" CB 7 0.988 0.732 0.716 25520
18 1 3 "Average Difference" HN 8 0.197 -0.080 0.192 25520
19 1 4 "Average Difference" N 8 2.299 -0.313 2.435 25520
20 1 4 "Average Difference" HA 9 0.247 0.070 0.251 25520
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25520
22 1 4 "Average Difference" CA 8 0.822 -0.253 0.836 25520
23 1 4 "Average Difference" CB 7 0.819 0.302 0.823 25520
24 1 4 "Average Difference" HN 8 0.288 -0.137 0.271 25520
25 1 5 "Average Difference" N 8 2.944 -0.716 3.053 25520
26 1 5 "Average Difference" HA 9 0.286 0.062 0.296 25520
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25520
28 1 5 "Average Difference" CA 8 0.813 -0.210 0.839 25520
29 1 5 "Average Difference" CB 7 0.879 0.113 0.942 25520
30 1 5 "Average Difference" HN 8 0.472 -0.274 0.410 25520
31 1 6 "Average Difference" N 8 1.945 -0.045 2.078 25520
32 1 6 "Average Difference" HA 9 0.223 0.044 0.232 25520
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25520
34 1 6 "Average Difference" CA 8 0.851 -0.335 0.836 25520
35 1 6 "Average Difference" CB 7 0.750 -0.033 0.809 25520
36 1 6 "Average Difference" HN 8 0.228 -0.103 0.217 25520
37 1 7 "Average Difference" N 8 2.140 -0.346 2.258 25520
38 1 7 "Average Difference" HA 9 0.282 0.118 0.272 25520
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25520
40 1 7 "Average Difference" CA 8 0.829 -0.355 0.800 25520
41 1 7 "Average Difference" CB 7 1.009 0.750 0.729 25520
42 1 7 "Average Difference" HN 8 0.290 -0.088 0.295 25520
43 1 8 "Average Difference" N 8 2.479 0.397 2.616 25520
44 1 8 "Average Difference" HA 9 0.195 0.014 0.206 25520
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25520
46 1 8 "Average Difference" CA 8 0.730 -0.407 0.648 25520
47 1 8 "Average Difference" CB 7 0.738 0.056 0.795 25520
48 1 8 "Average Difference" HN 8 0.253 -0.142 0.223 25520
49 1 9 "Average Difference" N 8 2.620 0.326 2.779 25520
50 1 9 "Average Difference" HA 9 0.190 0.011 0.201 25520
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25520
52 1 9 "Average Difference" CA 8 0.680 -0.081 0.722 25520
53 1 9 "Average Difference" CB 7 1.009 0.299 1.040 25520
54 1 9 "Average Difference" HN 8 0.380 -0.169 0.364 25520
55 1 10 "Average Difference" N 8 3.115 0.827 3.210 25520
56 1 10 "Average Difference" HA 9 0.217 0.074 0.217 25520
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25520
58 1 10 "Average Difference" CA 8 0.714 -0.184 0.738 25520
59 1 10 "Average Difference" CB 7 1.088 0.904 0.653 25520
60 1 10 "Average Difference" HN 8 0.299 -0.127 0.289 25520
61 1 11 "Average Difference" N 8 3.823 1.504 3.757 25520
62 1 11 "Average Difference" HA 9 0.212 0.010 0.225 25520
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25520
64 1 11 "Average Difference" CA 8 1.089 -0.392 1.086 25520
65 1 11 "Average Difference" CB 7 0.718 -0.001 0.776 25520
66 1 11 "Average Difference" HN 8 0.303 -0.107 0.303 25520
67 1 12 "Average Difference" N 8 2.743 -0.179 2.926 25520
68 1 12 "Average Difference" HA 9 0.226 0.037 0.237 25520
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25520
70 1 12 "Average Difference" CA 8 0.933 -0.309 0.941 25520
71 1 12 "Average Difference" CB 7 0.955 0.556 0.839 25520
72 1 12 "Average Difference" HN 8 0.424 -0.189 0.406 25520
73 1 13 "Average Difference" N 8 2.213 -0.459 2.314 25520
74 1 13 "Average Difference" HA 9 0.303 0.092 0.306 25520
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25520
76 1 13 "Average Difference" CA 8 0.568 -0.396 0.434 25520
77 1 13 "Average Difference" CB 7 0.736 0.362 0.692 25520
78 1 13 "Average Difference" HN 8 0.368 -0.069 0.387 25520
79 1 14 "Average Difference" N 8 2.798 0.442 2.954 25520
80 1 14 "Average Difference" HA 9 0.238 0.027 0.251 25520
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25520
82 1 14 "Average Difference" CA 8 0.860 -0.367 0.832 25520
83 1 14 "Average Difference" CB 7 0.746 0.545 0.549 25520
84 1 14 "Average Difference" HN 8 0.286 0.001 0.306 25520
85 1 15 "Average Difference" N 8 2.951 1.015 2.963 25520
86 1 15 "Average Difference" HA 9 0.235 0.008 0.249 25520
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25520
88 1 15 "Average Difference" CA 8 1.177 -0.516 1.131 25520
89 1 15 "Average Difference" CB 7 0.652 0.124 0.691 25520
90 1 15 "Average Difference" HN 8 0.286 -0.168 0.247 25520
91 1 16 "Average Difference" N 8 2.008 0.784 1.976 25520
92 1 16 "Average Difference" HA 9 0.223 0.062 0.227 25520
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25520
94 1 16 "Average Difference" CA 8 0.498 -0.247 0.462 25520
95 1 16 "Average Difference" CB 7 0.675 0.208 0.694 25520
96 1 16 "Average Difference" HN 8 0.245 0.028 0.261 25520
97 1 17 "Average Difference" N 8 2.861 -0.326 3.039 25520
98 1 17 "Average Difference" HA 9 0.275 0.080 0.279 25520
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25520
100 1 17 "Average Difference" CA 8 1.054 -0.198 1.107 25520
101 1 17 "Average Difference" CB 7 0.976 0.671 0.766 25520
102 1 17 "Average Difference" HN 8 0.225 -0.068 0.230 25520
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 25520
_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 2 118.479 118.479 118.697 -0.218 25520
2 1 . 1 1 2 2 ASN HA H 2 4.638 4.638 4.751 -0.113 25520
3 1 . 1 1 2 2 ASN CA C 2 53.289 53.289 52.933 0.356 25520
4 1 . 1 1 2 2 ASN CB C 2 38.910 38.910 39.368 -0.458 25520
5 1 . 1 1 2 2 ASN H H 2 8.660 8.660 8.452 0.208 25520
6 1 . 1 1 3 3 HIS N N 3 119.562 119.562 119.463 0.099 25520
7 1 . 1 1 3 3 HIS HA H 3 4.608 4.608 4.704 -0.096 25520
8 1 . 1 1 3 3 HIS CA C 3 55.510 55.510 55.104 0.407 25520
9 1 . 1 1 3 3 HIS CB C 3 28.993 28.993 29.043 -0.050 25520
10 1 . 1 1 3 3 HIS H H 3 8.574 8.574 8.387 0.187 25520
11 1 . 1 1 4 4 TRP N N 4 122.216 122.216 122.968 -0.752 25520
12 1 . 1 1 4 4 TRP HA H 4 4.667 4.667 4.403 0.264 25520
13 1 . 1 1 4 4 TRP CA C 4 57.294 57.294 58.548 -1.254 25520
14 1 . 1 1 4 4 TRP CB C 4 29.991 29.991 29.897 0.094 25520
15 1 . 1 1 4 4 TRP H H 4 8.151 8.151 7.895 0.256 25520
16 1 . 1 1 5 5 ALA N N 5 125.699 125.699 120.700 4.999 25520
17 1 . 1 1 5 5 ALA HA H 5 4.318 4.318 4.677 -0.359 25520
18 1 . 1 1 5 5 ALA CA C 5 52.482 52.482 51.641 0.841 25520
19 1 . 1 1 5 5 ALA CB C 5 19.435 19.435 19.173 0.262 25520
20 1 . 1 1 5 5 ALA H H 5 8.227 8.227 8.271 -0.044 25520
21 1 . 1 1 6 6 VAL N N 6 119.498 119.498 121.744 -2.246 25520
22 1 . 1 1 6 6 VAL HA H 6 3.999 3.999 4.208 -0.209 25520
23 1 . 1 1 6 6 VAL CA C 6 62.981 62.981 62.006 0.975 25520
24 1 . 1 1 6 6 VAL CB C 6 32.674 32.674 33.803 -1.129 25520
25 1 . 1 1 6 6 VAL H H 6 8.062 8.062 8.225 -0.163 25520
26 1 . 1 1 7 7 GLY N N 7 112.204 112.204 114.936 -2.732 25520
27 1 . 1 1 7 7 GLY CA C 7 45.167 45.167 45.004 0.163 25520
28 1 . 1 1 7 7 GLY H H 7 8.486 8.486 8.466 0.020 25520
29 1 . 1 1 8 8 HIS N N 8 118.178 118.178 119.069 -0.891 25520
30 1 . 1 1 8 8 HIS HA H 8 4.636 4.636 4.740 -0.104 25520
31 1 . 1 1 8 8 HIS CA C 8 55.510 55.510 55.351 0.159 25520
32 1 . 1 1 8 8 HIS CB C 8 29.004 29.004 29.799 -0.795 25520
33 1 . 1 1 8 8 HIS H H 8 8.277 8.277 8.322 -0.045 25520
34 1 . 1 1 9 9 LEU N N 9 121.616 121.616 121.715 -0.099 25520
35 1 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.552 -0.248 25520
36 1 . 1 1 9 9 LEU CA C 9 55.544 55.544 54.606 0.938 25520
37 1 . 1 1 9 9 LEU CB C 9 42.220 42.220 42.567 -0.347 25520
38 1 . 1 1 9 9 LEU H H 9 8.359 8.359 7.877 0.482 25520
stop_
save_