data_19355
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19355
_Entry.PDB_ID 2MAI
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 19355
_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 LEU N N 2 118.463 118.463 119.877 -1.414 19355
2 1 1 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.973 -0.446 19355
3 1 1 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.163 -0.835 19355
4 1 1 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.856 -0.805 19355
5 1 1 . 1 1 2 2 LEU H H 2 8.393 8.393 8.063 0.330 19355
6 1 1 . 1 1 3 3 ARG N N 3 116.545 116.545 120.647 -4.102 19355
7 1 1 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.358 0.118 19355
8 1 1 . 1 1 3 3 ARG C C 3 173.577 173.577 178.590 -5.013 19355
9 1 1 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.360 -3.864 19355
10 1 1 . 1 1 3 3 ARG CB C 3 28.515 28.515 30.806 -2.291 19355
11 1 1 . 1 1 3 3 ARG H H 3 7.860 7.860 8.396 -0.536 19355
12 1 1 . 1 1 4 4 ARG N N 4 114.271 114.271 119.701 -5.430 19355
13 1 1 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.269 0.126 19355
14 1 1 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.761 0.204 19355
15 1 1 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.776 4.646 19355
16 1 1 . 1 1 4 4 ARG H H 4 7.140 7.140 8.359 -1.219 19355
17 1 1 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.079 0.328 19355
18 1 1 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.394 -3.635 19355
19 1 1 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.639 4.252 19355
20 1 1 . 1 1 6 6 PHE N N 6 114.237 114.237 114.948 -0.711 19355
21 1 1 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.517 -0.538 19355
22 1 1 . 1 1 6 6 PHE C C 6 174.252 174.252 173.575 0.677 19355
23 1 1 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.639 2.413 19355
24 1 1 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.877 -4.100 19355
25 1 1 . 1 1 6 6 PHE H H 6 8.414 8.414 7.602 0.812 19355
26 1 1 . 1 1 7 7 ALA N N 7 123.916 123.916 128.111 -4.195 19355
27 1 1 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.826 -0.581 19355
28 1 1 . 1 1 7 7 ALA C C 7 178.138 178.138 177.248 0.890 19355
29 1 1 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.617 2.305 19355
30 1 1 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.734 0.802 19355
31 1 1 . 1 1 7 7 ALA H H 7 8.647 8.647 8.332 0.315 19355
32 1 1 . 1 1 8 8 ASN N N 8 118.947 118.947 122.192 -3.245 19355
33 1 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.846 -0.201 19355
34 1 1 . 1 1 8 8 ASN C C 8 174.376 174.376 176.173 -1.797 19355
35 1 1 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.913 -0.859 19355
36 1 1 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.496 0.016 19355
37 1 1 . 1 1 8 8 ASN H H 8 6.983 6.983 8.596 -1.613 19355
38 1 1 . 1 1 9 9 GLN N N 9 114.393 114.393 123.057 -8.664 19355
39 1 1 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.133 -0.544 19355
40 1 1 . 1 1 9 9 GLN C C 9 174.086 174.086 177.724 -3.638 19355
41 1 1 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.038 1.342 19355
42 1 1 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.874 0.695 19355
43 1 1 . 1 1 9 9 GLN H H 9 8.315 8.315 8.619 -0.304 19355
44 1 1 . 1 1 10 10 LEU N N 10 110.452 110.452 119.132 -8.680 19355
45 1 1 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.193 0.208 19355
46 1 1 . 1 1 10 10 LEU C C 10 174.539 174.539 178.038 -3.499 19355
47 1 1 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.346 -0.130 19355
48 1 1 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.099 2.996 19355
49 1 1 . 1 1 10 10 LEU H H 10 7.719 7.719 7.896 -0.177 19355
50 1 1 . 1 1 11 11 VAL N N 11 111.103 111.103 116.739 -5.636 19355
51 1 1 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.279 0.114 19355
52 1 1 . 1 1 11 11 VAL C C 11 174.454 174.454 174.308 0.146 19355
53 1 1 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.633 -1.495 19355
54 1 1 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.314 1.693 19355
55 1 1 . 1 1 11 11 VAL H H 11 7.717 7.717 7.612 0.105 19355
56 1 1 . 1 1 12 12 GLY N N 12 115.582 115.582 111.304 4.278 19355
57 1 1 . 1 1 12 12 GLY C C 12 174.551 174.551 173.607 0.944 19355
58 1 1 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.718 -1.545 19355
59 1 1 . 1 1 12 12 GLY H H 12 8.980 8.980 8.268 0.712 19355
60 1 1 . 1 1 13 13 ARG N N 13 119.199 119.199 120.170 -0.971 19355
61 1 1 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.113 1.054 19355
62 1 1 . 1 1 13 13 ARG CA C 13 54.347 54.347 57.135 -2.788 19355
63 1 1 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.415 5.780 19355
64 1 1 . 1 1 13 13 ARG H H 13 7.082 7.082 8.137 -1.055 19355
65 1 1 . 1 1 14 14 ARG C C 14 175.104 175.104 175.944 -0.840 19355
66 1 1 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.517 2.234 19355
67 1 2 . 1 1 2 2 LEU N N 2 118.463 118.463 118.183 0.280 19355
68 1 2 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.942 -0.414 19355
69 1 2 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.033 -0.705 19355
70 1 2 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.368 -3.317 19355
71 1 2 . 1 1 2 2 LEU H H 2 8.393 8.393 8.210 0.183 19355
72 1 2 . 1 1 3 3 ARG N N 3 116.545 116.545 122.301 -5.756 19355
73 1 2 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.476 -0.000 19355
74 1 2 . 1 1 3 3 ARG C C 3 173.577 173.577 176.876 -3.299 19355
75 1 2 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.585 -3.089 19355
76 1 2 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.337 -2.822 19355
77 1 2 . 1 1 3 3 ARG H H 3 7.860 7.860 8.751 -0.891 19355
78 1 2 . 1 1 4 4 ARG N N 4 114.271 114.271 118.404 -4.133 19355
79 1 2 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.228 0.167 19355
80 1 2 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.940 0.025 19355
81 1 2 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.351 4.071 19355
82 1 2 . 1 1 4 4 ARG H H 4 7.140 7.140 8.207 -1.067 19355
83 1 2 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.084 0.323 19355
84 1 2 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.329 -3.570 19355
85 1 2 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.592 4.298 19355
86 1 2 . 1 1 6 6 PHE N N 6 114.237 114.237 114.091 0.146 19355
87 1 2 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.500 -0.521 19355
88 1 2 . 1 1 6 6 PHE C C 6 174.252 174.252 173.492 0.760 19355
89 1 2 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.274 2.778 19355
90 1 2 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.303 -4.526 19355
91 1 2 . 1 1 6 6 PHE H H 6 8.414 8.414 7.580 0.834 19355
92 1 2 . 1 1 7 7 ALA N N 7 123.916 123.916 123.473 0.443 19355
93 1 2 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.577 -0.332 19355
94 1 2 . 1 1 7 7 ALA C C 7 178.138 178.138 175.660 2.478 19355
95 1 2 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.352 3.571 19355
96 1 2 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.529 -0.993 19355
97 1 2 . 1 1 7 7 ALA H H 7 8.647 8.647 7.182 1.465 19355
98 1 2 . 1 1 8 8 ASN N N 8 118.947 118.947 120.844 -1.897 19355
99 1 2 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.904 -0.259 19355
100 1 2 . 1 1 8 8 ASN C C 8 174.376 174.376 175.814 -1.438 19355
101 1 2 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.416 -0.362 19355
102 1 2 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.559 -0.047 19355
103 1 2 . 1 1 8 8 ASN H H 8 6.983 6.983 8.678 -1.695 19355
104 1 2 . 1 1 9 9 GLN N N 9 114.393 114.393 123.059 -8.666 19355
105 1 2 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.085 -0.496 19355
106 1 2 . 1 1 9 9 GLN C C 9 174.086 174.086 177.745 -3.659 19355
107 1 2 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.810 1.570 19355
108 1 2 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355
109 1 2 . 1 1 9 9 GLN H H 9 8.315 8.315 8.575 -0.260 19355
110 1 2 . 1 1 10 10 LEU N N 10 110.452 110.452 119.288 -8.836 19355
111 1 2 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.160 0.241 19355
112 1 2 . 1 1 10 10 LEU C C 10 174.539 174.539 178.045 -3.506 19355
113 1 2 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.453 -0.237 19355
114 1 2 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.037 3.058 19355
115 1 2 . 1 1 10 10 LEU H H 10 7.719 7.719 7.939 -0.220 19355
116 1 2 . 1 1 11 11 VAL N N 11 111.103 111.103 117.603 -6.500 19355
117 1 2 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.264 0.129 19355
118 1 2 . 1 1 11 11 VAL C C 11 174.454 174.454 174.116 0.338 19355
119 1 2 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.686 -1.548 19355
120 1 2 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.495 1.512 19355
121 1 2 . 1 1 11 11 VAL H H 11 7.717 7.717 7.563 0.154 19355
122 1 2 . 1 1 12 12 GLY N N 12 115.582 115.582 112.160 3.422 19355
123 1 2 . 1 1 12 12 GLY C C 12 174.551 174.551 173.180 1.371 19355
124 1 2 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.437 -1.264 19355
125 1 2 . 1 1 12 12 GLY H H 12 8.980 8.980 8.070 0.910 19355
126 1 2 . 1 1 13 13 ARG N N 13 119.199 119.199 118.681 0.518 19355
127 1 2 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.070 1.097 19355
128 1 2 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.653 -2.305 19355
129 1 2 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.982 5.213 19355
130 1 2 . 1 1 13 13 ARG H H 13 7.082 7.082 8.483 -1.401 19355
131 1 2 . 1 1 14 14 ARG C C 14 175.104 175.104 175.483 -0.379 19355
132 1 2 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.803 1.948 19355
133 1 3 . 1 1 2 2 LEU N N 2 118.463 118.463 118.552 -0.089 19355
134 1 3 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.718 -0.190 19355
135 1 3 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.965 -0.637 19355
136 1 3 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.553 -2.502 19355
137 1 3 . 1 1 2 2 LEU H H 2 8.393 8.393 7.998 0.395 19355
138 1 3 . 1 1 3 3 ARG N N 3 116.545 116.545 121.785 -5.240 19355
139 1 3 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.377 0.099 19355
140 1 3 . 1 1 3 3 ARG C C 3 173.577 173.577 177.289 -3.712 19355
141 1 3 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.502 -4.006 19355
142 1 3 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.031 -2.516 19355
143 1 3 . 1 1 3 3 ARG H H 3 7.860 7.860 8.326 -0.466 19355
144 1 3 . 1 1 4 4 ARG N N 4 114.271 114.271 117.764 -3.493 19355
145 1 3 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.313 0.082 19355
146 1 3 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.283 0.682 19355
147 1 3 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.225 4.197 19355
148 1 3 . 1 1 4 4 ARG H H 4 7.140 7.140 8.039 -0.899 19355
149 1 3 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.095 0.312 19355
150 1 3 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.347 -3.588 19355
151 1 3 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.567 4.323 19355
152 1 3 . 1 1 6 6 PHE N N 6 114.237 114.237 114.335 -0.098 19355
153 1 3 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.496 -0.517 19355
154 1 3 . 1 1 6 6 PHE C C 6 174.252 174.252 173.492 0.760 19355
155 1 3 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.333 2.720 19355
156 1 3 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.428 -4.651 19355
157 1 3 . 1 1 6 6 PHE H H 6 8.414 8.414 7.516 0.898 19355
158 1 3 . 1 1 7 7 ALA N N 7 123.916 123.916 123.737 0.179 19355
159 1 3 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.584 -0.339 19355
160 1 3 . 1 1 7 7 ALA C C 7 178.138 178.138 175.540 2.598 19355
161 1 3 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.349 3.573 19355
162 1 3 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.613 -1.077 19355
163 1 3 . 1 1 7 7 ALA H H 7 8.647 8.647 7.199 1.448 19355
164 1 3 . 1 1 8 8 ASN N N 8 118.947 118.947 120.752 -1.805 19355
165 1 3 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.911 -0.266 19355
166 1 3 . 1 1 8 8 ASN C C 8 174.376 174.376 175.909 -1.533 19355
167 1 3 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.409 -0.355 19355
168 1 3 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.761 -0.249 19355
169 1 3 . 1 1 8 8 ASN H H 8 6.983 6.983 8.673 -1.690 19355
170 1 3 . 1 1 9 9 GLN N N 9 114.393 114.393 123.214 -8.821 19355
171 1 3 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.080 -0.491 19355
172 1 3 . 1 1 9 9 GLN C C 9 174.086 174.086 177.761 -3.675 19355
173 1 3 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.828 1.552 19355
174 1 3 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.836 0.733 19355
175 1 3 . 1 1 9 9 GLN H H 9 8.315 8.315 8.565 -0.250 19355
176 1 3 . 1 1 10 10 LEU N N 10 110.452 110.452 119.260 -8.808 19355
177 1 3 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.156 0.245 19355
178 1 3 . 1 1 10 10 LEU C C 10 174.539 174.539 178.058 -3.519 19355
179 1 3 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.483 -0.267 19355
180 1 3 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.055 3.040 19355
181 1 3 . 1 1 10 10 LEU H H 10 7.719 7.719 7.971 -0.252 19355
182 1 3 . 1 1 11 11 VAL N N 11 111.103 111.103 116.712 -5.609 19355
183 1 3 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.238 0.155 19355
184 1 3 . 1 1 11 11 VAL C C 11 174.454 174.454 174.105 0.349 19355
185 1 3 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.457 -1.319 19355
186 1 3 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.604 1.403 19355
187 1 3 . 1 1 11 11 VAL H H 11 7.717 7.717 7.541 0.176 19355
188 1 3 . 1 1 12 12 GLY N N 12 115.582 115.582 110.353 5.229 19355
189 1 3 . 1 1 12 12 GLY C C 12 174.551 174.551 173.603 0.948 19355
190 1 3 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.154 -0.981 19355
191 1 3 . 1 1 12 12 GLY H H 12 8.980 8.980 8.102 0.878 19355
192 1 3 . 1 1 13 13 ARG N N 13 119.199 119.199 120.095 -0.896 19355
193 1 3 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.064 1.103 19355
194 1 3 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.727 -2.380 19355
195 1 3 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.549 5.646 19355
196 1 3 . 1 1 13 13 ARG H H 13 7.082 7.082 8.253 -1.171 19355
197 1 3 . 1 1 14 14 ARG C C 14 175.104 175.104 176.009 -0.905 19355
198 1 3 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.695 2.056 19355
199 1 4 . 1 1 2 2 LEU N N 2 118.463 118.463 120.028 -1.565 19355
200 1 4 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.901 -0.373 19355
201 1 4 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.123 -0.795 19355
202 1 4 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.944 -0.893 19355
203 1 4 . 1 1 2 2 LEU H H 2 8.393 8.393 8.250 0.143 19355
204 1 4 . 1 1 3 3 ARG N N 3 116.545 116.545 120.217 -3.672 19355
205 1 4 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.354 0.122 19355
206 1 4 . 1 1 3 3 ARG C C 3 173.577 173.577 177.436 -3.859 19355
207 1 4 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.346 -2.850 19355
208 1 4 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.218 -2.703 19355
209 1 4 . 1 1 3 3 ARG H H 3 7.860 7.860 7.893 -0.033 19355
210 1 4 . 1 1 4 4 ARG N N 4 114.271 114.271 118.792 -4.521 19355
211 1 4 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.172 0.223 19355
212 1 4 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.251 -0.286 19355
213 1 4 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.191 4.231 19355
214 1 4 . 1 1 4 4 ARG H H 4 7.140 7.140 8.179 -1.039 19355
215 1 4 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.096 0.311 19355
216 1 4 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.309 -3.550 19355
217 1 4 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.762 4.128 19355
218 1 4 . 1 1 6 6 PHE N N 6 114.237 114.237 114.969 -0.732 19355
219 1 4 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.527 -0.548 19355
220 1 4 . 1 1 6 6 PHE C C 6 174.252 174.252 173.108 1.144 19355
221 1 4 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.020 3.032 19355
222 1 4 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.780 -4.003 19355
223 1 4 . 1 1 6 6 PHE H H 6 8.414 8.414 7.518 0.896 19355
224 1 4 . 1 1 7 7 ALA N N 7 123.916 123.916 128.256 -4.340 19355
225 1 4 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.610 -0.365 19355
226 1 4 . 1 1 7 7 ALA C C 7 178.138 178.138 176.084 2.054 19355
227 1 4 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.889 3.033 19355
228 1 4 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.048 0.488 19355
229 1 4 . 1 1 7 7 ALA H H 7 8.647 8.647 8.081 0.566 19355
230 1 4 . 1 1 8 8 ASN N N 8 118.947 118.947 119.888 -0.941 19355
231 1 4 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.574 0.071 19355
232 1 4 . 1 1 8 8 ASN C C 8 174.376 174.376 175.489 -1.113 19355
233 1 4 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.083 -0.029 19355
234 1 4 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.832 -0.320 19355
235 1 4 . 1 1 8 8 ASN H H 8 6.983 6.983 8.404 -1.421 19355
236 1 4 . 1 1 9 9 GLN N N 9 114.393 114.393 123.144 -8.751 19355
237 1 4 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.054 -0.465 19355
238 1 4 . 1 1 9 9 GLN C C 9 174.086 174.086 177.759 -3.673 19355
239 1 4 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.826 1.554 19355
240 1 4 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.783 0.786 19355
241 1 4 . 1 1 9 9 GLN H H 9 8.315 8.315 8.500 -0.185 19355
242 1 4 . 1 1 10 10 LEU N N 10 110.452 110.452 119.213 -8.761 19355
243 1 4 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.142 0.259 19355
244 1 4 . 1 1 10 10 LEU C C 10 174.539 174.539 178.034 -3.495 19355
245 1 4 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.494 -0.278 19355
246 1 4 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.015 3.080 19355
247 1 4 . 1 1 10 10 LEU H H 10 7.719 7.719 7.922 -0.203 19355
248 1 4 . 1 1 11 11 VAL N N 11 111.103 111.103 117.047 -5.944 19355
249 1 4 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.232 0.161 19355
250 1 4 . 1 1 11 11 VAL C C 11 174.454 174.454 174.035 0.419 19355
251 1 4 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.446 -1.308 19355
252 1 4 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.444 1.563 19355
253 1 4 . 1 1 11 11 VAL H H 11 7.717 7.717 7.531 0.186 19355
254 1 4 . 1 1 12 12 GLY N N 12 115.582 115.582 110.764 4.818 19355
255 1 4 . 1 1 12 12 GLY C C 12 174.551 174.551 173.489 1.062 19355
256 1 4 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.392 -1.219 19355
257 1 4 . 1 1 12 12 GLY H H 12 8.980 8.980 8.090 0.890 19355
258 1 4 . 1 1 13 13 ARG N N 13 119.199 119.199 120.055 -0.856 19355
259 1 4 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.057 1.110 19355
260 1 4 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.721 -2.374 19355
261 1 4 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.129 6.066 19355
262 1 4 . 1 1 13 13 ARG H H 13 7.082 7.082 8.207 -1.125 19355
263 1 4 . 1 1 14 14 ARG C C 14 175.104 175.104 175.549 -0.445 19355
264 1 4 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.601 2.150 19355
265 1 5 . 1 1 2 2 LEU N N 2 118.463 118.463 120.279 -1.816 19355
266 1 5 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.760 -0.232 19355
267 1 5 . 1 1 2 2 LEU CA C 2 53.328 53.328 55.458 -2.130 19355
268 1 5 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.205 -0.154 19355
269 1 5 . 1 1 2 2 LEU H H 2 8.393 8.393 8.004 0.389 19355
270 1 5 . 1 1 3 3 ARG N N 3 116.545 116.545 119.875 -3.330 19355
271 1 5 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.402 0.073 19355
272 1 5 . 1 1 3 3 ARG C C 3 173.577 173.577 177.721 -4.144 19355
273 1 5 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.851 -3.355 19355
274 1 5 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.246 -2.731 19355
275 1 5 . 1 1 3 3 ARG H H 3 7.860 7.860 8.560 -0.700 19355
276 1 5 . 1 1 4 4 ARG N N 4 114.271 114.271 117.999 -3.728 19355
277 1 5 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.251 0.144 19355
278 1 5 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.667 0.298 19355
279 1 5 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.347 4.075 19355
280 1 5 . 1 1 4 4 ARG H H 4 7.140 7.140 8.087 -0.947 19355
281 1 5 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.082 0.325 19355
282 1 5 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.538 -3.779 19355
283 1 5 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.706 4.184 19355
284 1 5 . 1 1 6 6 PHE N N 6 114.237 114.237 114.808 -0.571 19355
285 1 5 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.513 -0.534 19355
286 1 5 . 1 1 6 6 PHE C C 6 174.252 174.252 173.688 0.564 19355
287 1 5 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.650 2.402 19355
288 1 5 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.776 -3.999 19355
289 1 5 . 1 1 6 6 PHE H H 6 8.414 8.414 7.646 0.768 19355
290 1 5 . 1 1 7 7 ALA N N 7 123.916 123.916 127.490 -3.574 19355
291 1 5 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.609 -0.364 19355
292 1 5 . 1 1 7 7 ALA C C 7 178.138 178.138 177.278 0.860 19355
293 1 5 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.879 2.043 19355
294 1 5 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.664 0.872 19355
295 1 5 . 1 1 7 7 ALA H H 7 8.647 8.647 8.289 0.358 19355
296 1 5 . 1 1 8 8 ASN N N 8 118.947 118.947 121.876 -2.929 19355
297 1 5 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.806 -0.161 19355
298 1 5 . 1 1 8 8 ASN C C 8 174.376 174.376 176.145 -1.769 19355
299 1 5 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.054 -1.000 19355
300 1 5 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.442 0.070 19355
301 1 5 . 1 1 8 8 ASN H H 8 6.983 6.983 8.665 -1.682 19355
302 1 5 . 1 1 9 9 GLN N N 9 114.393 114.393 123.017 -8.624 19355
303 1 5 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.136 -0.547 19355
304 1 5 . 1 1 9 9 GLN C C 9 174.086 174.086 177.677 -3.591 19355
305 1 5 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.066 1.314 19355
306 1 5 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.882 0.687 19355
307 1 5 . 1 1 9 9 GLN H H 9 8.315 8.315 8.617 -0.302 19355
308 1 5 . 1 1 10 10 LEU N N 10 110.452 110.452 119.093 -8.641 19355
309 1 5 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.203 0.198 19355
310 1 5 . 1 1 10 10 LEU C C 10 174.539 174.539 178.009 -3.470 19355
311 1 5 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.272 -0.056 19355
312 1 5 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.136 2.959 19355
313 1 5 . 1 1 10 10 LEU H H 10 7.719 7.719 7.861 -0.142 19355
314 1 5 . 1 1 11 11 VAL N N 11 111.103 111.103 117.179 -6.076 19355
315 1 5 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.280 0.113 19355
316 1 5 . 1 1 11 11 VAL C C 11 174.454 174.454 174.277 0.177 19355
317 1 5 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.677 -1.539 19355
318 1 5 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.281 1.726 19355
319 1 5 . 1 1 11 11 VAL H H 11 7.717 7.717 7.613 0.104 19355
320 1 5 . 1 1 12 12 GLY N N 12 115.582 115.582 112.019 3.563 19355
321 1 5 . 1 1 12 12 GLY C C 12 174.551 174.551 173.480 1.071 19355
322 1 5 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.652 -1.479 19355
323 1 5 . 1 1 12 12 GLY H H 12 8.980 8.980 8.221 0.759 19355
324 1 5 . 1 1 13 13 ARG N N 13 119.199 119.199 120.759 -1.560 19355
325 1 5 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.064 1.103 19355
326 1 5 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.663 -2.316 19355
327 1 5 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.070 6.125 19355
328 1 5 . 1 1 13 13 ARG H H 13 7.082 7.082 8.271 -1.189 19355
329 1 5 . 1 1 14 14 ARG C C 14 175.104 175.104 175.606 -0.502 19355
330 1 5 . 1 1 14 14 ARG CB C 14 33.751 33.751 32.109 1.642 19355
331 1 6 . 1 1 2 2 LEU N N 2 118.463 118.463 118.889 -0.426 19355
332 1 6 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.763 -0.235 19355
333 1 6 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.611 -0.283 19355
334 1 6 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.536 -3.485 19355
335 1 6 . 1 1 2 2 LEU H H 2 8.393 8.393 8.516 -0.123 19355
336 1 6 . 1 1 3 3 ARG N N 3 116.545 116.545 120.524 -3.979 19355
337 1 6 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.492 -0.016 19355
338 1 6 . 1 1 3 3 ARG C C 3 173.577 173.577 178.326 -4.749 19355
339 1 6 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.877 -3.381 19355
340 1 6 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.838 -3.323 19355
341 1 6 . 1 1 3 3 ARG H H 3 7.860 7.860 8.875 -1.015 19355
342 1 6 . 1 1 4 4 ARG N N 4 114.271 114.271 120.329 -6.058 19355
343 1 6 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.231 0.164 19355
344 1 6 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.363 -0.398 19355
345 1 6 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.228 4.194 19355
346 1 6 . 1 1 4 4 ARG H H 4 7.140 7.140 8.121 -0.981 19355
347 1 6 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.092 0.315 19355
348 1 6 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.328 -3.569 19355
349 1 6 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.621 4.269 19355
350 1 6 . 1 1 6 6 PHE N N 6 114.237 114.237 113.903 0.334 19355
351 1 6 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.468 -0.489 19355
352 1 6 . 1 1 6 6 PHE C C 6 174.252 174.252 173.532 0.720 19355
353 1 6 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.281 2.772 19355
354 1 6 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.442 -4.665 19355
355 1 6 . 1 1 6 6 PHE H H 6 8.414 8.414 7.592 0.822 19355
356 1 6 . 1 1 7 7 ALA N N 7 123.916 123.916 122.720 1.196 19355
357 1 6 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.474 -0.229 19355
358 1 6 . 1 1 7 7 ALA C C 7 178.138 178.138 176.093 2.045 19355
359 1 6 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.656 3.266 19355
360 1 6 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.107 -0.571 19355
361 1 6 . 1 1 7 7 ALA H H 7 8.647 8.647 7.621 1.026 19355
362 1 6 . 1 1 8 8 ASN N N 8 118.947 118.947 120.024 -1.077 19355
363 1 6 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.933 -0.288 19355
364 1 6 . 1 1 8 8 ASN C C 8 174.376 174.376 176.230 -1.854 19355
365 1 6 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.334 -0.280 19355
366 1 6 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.628 -0.116 19355
367 1 6 . 1 1 8 8 ASN H H 8 6.983 6.983 8.683 -1.700 19355
368 1 6 . 1 1 9 9 GLN N N 9 114.393 114.393 122.973 -8.580 19355
369 1 6 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.082 -0.493 19355
370 1 6 . 1 1 9 9 GLN C C 9 174.086 174.086 177.465 -3.379 19355
371 1 6 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.012 1.368 19355
372 1 6 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.851 0.718 19355
373 1 6 . 1 1 9 9 GLN H H 9 8.315 8.315 8.631 -0.316 19355
374 1 6 . 1 1 10 10 LEU N N 10 110.452 110.452 119.040 -8.588 19355
375 1 6 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.197 0.204 19355
376 1 6 . 1 1 10 10 LEU C C 10 174.539 174.539 177.975 -3.436 19355
377 1 6 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.214 0.002 19355
378 1 6 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.149 2.946 19355
379 1 6 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355
380 1 6 . 1 1 11 11 VAL N N 11 111.103 111.103 116.627 -5.524 19355
381 1 6 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.212 0.181 19355
382 1 6 . 1 1 11 11 VAL C C 11 174.454 174.454 174.092 0.362 19355
383 1 6 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.787 -1.649 19355
384 1 6 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.311 1.696 19355
385 1 6 . 1 1 11 11 VAL H H 11 7.717 7.717 7.538 0.179 19355
386 1 6 . 1 1 12 12 GLY N N 12 115.582 115.582 111.634 3.948 19355
387 1 6 . 1 1 12 12 GLY C C 12 174.551 174.551 173.886 0.665 19355
388 1 6 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.493 -1.320 19355
389 1 6 . 1 1 12 12 GLY H H 12 8.980 8.980 8.113 0.867 19355
390 1 6 . 1 1 13 13 ARG N N 13 119.199 119.199 118.809 0.390 19355
391 1 6 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.080 1.087 19355
392 1 6 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.652 -2.305 19355
393 1 6 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.945 4.250 19355
394 1 6 . 1 1 13 13 ARG H H 13 7.082 7.082 8.079 -0.997 19355
395 1 6 . 1 1 14 14 ARG C C 14 175.104 175.104 174.699 0.405 19355
396 1 6 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.673 3.078 19355
397 1 7 . 1 1 2 2 LEU N N 2 118.463 118.463 118.438 0.025 19355
398 1 7 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.867 -0.339 19355
399 1 7 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.704 -0.376 19355
400 1 7 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.237 -2.186 19355
401 1 7 . 1 1 2 2 LEU H H 2 8.393 8.393 8.285 0.108 19355
402 1 7 . 1 1 3 3 ARG N N 3 116.545 116.545 120.124 -3.579 19355
403 1 7 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.471 0.005 19355
404 1 7 . 1 1 3 3 ARG C C 3 173.577 173.577 177.603 -4.026 19355
405 1 7 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.581 -3.085 19355
406 1 7 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.700 -3.185 19355
407 1 7 . 1 1 3 3 ARG H H 3 7.860 7.860 8.333 -0.473 19355
408 1 7 . 1 1 4 4 ARG N N 4 114.271 114.271 119.173 -4.902 19355
409 1 7 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.213 0.182 19355
410 1 7 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.510 0.455 19355
411 1 7 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.033 4.389 19355
412 1 7 . 1 1 4 4 ARG H H 4 7.140 7.140 8.294 -1.154 19355
413 1 7 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.115 0.292 19355
414 1 7 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.343 -3.584 19355
415 1 7 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.687 4.203 19355
416 1 7 . 1 1 6 6 PHE N N 6 114.237 114.237 114.648 -0.411 19355
417 1 7 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.493 -0.514 19355
418 1 7 . 1 1 6 6 PHE C C 6 174.252 174.252 173.755 0.497 19355
419 1 7 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.700 2.352 19355
420 1 7 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.755 -3.978 19355
421 1 7 . 1 1 6 6 PHE H H 6 8.414 8.414 7.623 0.791 19355
422 1 7 . 1 1 7 7 ALA N N 7 123.916 123.916 127.717 -3.801 19355
423 1 7 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.296 -0.051 19355
424 1 7 . 1 1 7 7 ALA C C 7 178.138 178.138 177.124 1.014 19355
425 1 7 . 1 1 7 7 ALA CA C 7 53.922 53.922 52.602 1.320 19355
426 1 7 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.214 1.322 19355
427 1 7 . 1 1 7 7 ALA H H 7 8.647 8.647 8.295 0.352 19355
428 1 7 . 1 1 8 8 ASN N N 8 118.947 118.947 123.421 -4.474 19355
429 1 7 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.652 -0.007 19355
430 1 7 . 1 1 8 8 ASN C C 8 174.376 174.376 176.768 -2.392 19355
431 1 7 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.104 -1.050 19355
432 1 7 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.381 0.131 19355
433 1 7 . 1 1 8 8 ASN H H 8 6.983 6.983 8.541 -1.558 19355
434 1 7 . 1 1 9 9 GLN N N 9 114.393 114.393 122.272 -7.879 19355
435 1 7 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.118 -0.529 19355
436 1 7 . 1 1 9 9 GLN C C 9 174.086 174.086 177.814 -3.728 19355
437 1 7 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.368 1.012 19355
438 1 7 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.789 0.780 19355
439 1 7 . 1 1 9 9 GLN H H 9 8.315 8.315 8.688 -0.373 19355
440 1 7 . 1 1 10 10 LEU N N 10 110.452 110.452 119.202 -8.750 19355
441 1 7 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.172 0.229 19355
442 1 7 . 1 1 10 10 LEU C C 10 174.539 174.539 178.047 -3.508 19355
443 1 7 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.559 -0.343 19355
444 1 7 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.031 3.064 19355
445 1 7 . 1 1 10 10 LEU H H 10 7.719 7.719 7.961 -0.242 19355
446 1 7 . 1 1 11 11 VAL N N 11 111.103 111.103 116.698 -5.595 19355
447 1 7 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.204 0.189 19355
448 1 7 . 1 1 11 11 VAL C C 11 174.454 174.454 174.261 0.193 19355
449 1 7 . 1 1 11 11 VAL CA C 11 60.138 60.138 62.008 -1.870 19355
450 1 7 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.413 1.595 19355
451 1 7 . 1 1 11 11 VAL H H 11 7.717 7.717 7.585 0.132 19355
452 1 7 . 1 1 12 12 GLY N N 12 115.582 115.582 111.890 3.692 19355
453 1 7 . 1 1 12 12 GLY C C 12 174.551 174.551 173.649 0.902 19355
454 1 7 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.614 -1.441 19355
455 1 7 . 1 1 12 12 GLY H H 12 8.980 8.980 8.203 0.777 19355
456 1 7 . 1 1 13 13 ARG N N 13 119.199 119.199 119.605 -0.406 19355
457 1 7 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.023 1.144 19355
458 1 7 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.510 -2.163 19355
459 1 7 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.396 5.799 19355
460 1 7 . 1 1 13 13 ARG H H 13 7.082 7.082 8.302 -1.220 19355
461 1 7 . 1 1 14 14 ARG C C 14 175.104 175.104 174.890 0.214 19355
462 1 7 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.561 2.190 19355
463 1 8 . 1 1 2 2 LEU N N 2 118.463 118.463 117.597 0.866 19355
464 1 8 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.915 -0.387 19355
465 1 8 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.055 -0.727 19355
466 1 8 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.944 -2.893 19355
467 1 8 . 1 1 2 2 LEU H H 2 8.393 8.393 8.315 0.078 19355
468 1 8 . 1 1 3 3 ARG N N 3 116.545 116.545 121.826 -5.281 19355
469 1 8 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.481 -0.005 19355
470 1 8 . 1 1 3 3 ARG C C 3 173.577 173.577 178.221 -4.644 19355
471 1 8 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.608 -3.112 19355
472 1 8 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.299 -2.784 19355
473 1 8 . 1 1 3 3 ARG H H 3 7.860 7.860 8.489 -0.629 19355
474 1 8 . 1 1 4 4 ARG N N 4 114.271 114.271 118.655 -4.384 19355
475 1 8 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.318 0.077 19355
476 1 8 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.763 0.202 19355
477 1 8 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.542 3.880 19355
478 1 8 . 1 1 4 4 ARG H H 4 7.140 7.140 8.286 -1.146 19355
479 1 8 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.295 0.112 19355
480 1 8 . 1 1 5 5 LEU CA C 5 53.759 53.759 54.228 -0.469 19355
481 1 8 . 1 1 5 5 LEU CB C 5 46.890 46.890 41.030 5.860 19355
482 1 8 . 1 1 6 6 PHE N N 6 114.237 114.237 119.488 -5.251 19355
483 1 8 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.166 -0.187 19355
484 1 8 . 1 1 6 6 PHE C C 6 174.252 174.252 174.984 -0.732 19355
485 1 8 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.867 2.185 19355
486 1 8 . 1 1 6 6 PHE CB C 6 36.777 36.777 39.630 -2.853 19355
487 1 8 . 1 1 6 6 PHE H H 6 8.414 8.414 7.651 0.763 19355
488 1 8 . 1 1 7 7 ALA N N 7 123.916 123.916 127.503 -3.587 19355
489 1 8 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.452 -0.207 19355
490 1 8 . 1 1 7 7 ALA C C 7 178.138 178.138 176.652 1.486 19355
491 1 8 . 1 1 7 7 ALA CA C 7 53.922 53.922 52.255 1.667 19355
492 1 8 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.844 0.692 19355
493 1 8 . 1 1 7 7 ALA H H 7 8.647 8.647 8.067 0.580 19355
494 1 8 . 1 1 8 8 ASN N N 8 118.947 118.947 116.954 1.993 19355
495 1 8 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.922 -0.277 19355
496 1 8 . 1 1 8 8 ASN C C 8 174.376 174.376 176.448 -2.072 19355
497 1 8 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.421 -0.367 19355
498 1 8 . 1 1 8 8 ASN CB C 8 39.512 39.512 40.523 -1.011 19355
499 1 8 . 1 1 8 8 ASN H H 8 6.983 6.983 8.584 -1.601 19355
500 1 8 . 1 1 9 9 GLN N N 9 114.393 114.393 122.377 -7.984 19355
501 1 8 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.103 -0.514 19355
502 1 8 . 1 1 9 9 GLN C C 9 174.086 174.086 177.486 -3.400 19355
503 1 8 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.116 1.264 19355
504 1 8 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.828 0.742 19355
505 1 8 . 1 1 9 9 GLN H H 9 8.315 8.315 8.619 -0.304 19355
506 1 8 . 1 1 10 10 LEU N N 10 110.452 110.452 119.033 -8.581 19355
507 1 8 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.211 0.190 19355
508 1 8 . 1 1 10 10 LEU C C 10 174.539 174.539 177.920 -3.381 19355
509 1 8 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.136 0.080 19355
510 1 8 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.184 2.911 19355
511 1 8 . 1 1 10 10 LEU H H 10 7.719 7.719 7.869 -0.150 19355
512 1 8 . 1 1 11 11 VAL N N 11 111.103 111.103 117.142 -6.039 19355
513 1 8 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.215 0.178 19355
514 1 8 . 1 1 11 11 VAL C C 11 174.454 174.454 174.158 0.296 19355
515 1 8 . 1 1 11 11 VAL CA C 11 60.138 60.138 62.003 -1.865 19355
516 1 8 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.297 1.710 19355
517 1 8 . 1 1 11 11 VAL H H 11 7.717 7.717 7.540 0.177 19355
518 1 8 . 1 1 12 12 GLY N N 12 115.582 115.582 111.592 3.990 19355
519 1 8 . 1 1 12 12 GLY C C 12 174.551 174.551 174.032 0.519 19355
520 1 8 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.659 -1.486 19355
521 1 8 . 1 1 12 12 GLY H H 12 8.980 8.980 8.323 0.657 19355
522 1 8 . 1 1 13 13 ARG N N 13 119.199 119.199 120.536 -1.337 19355
523 1 8 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.121 1.046 19355
524 1 8 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.833 -2.486 19355
525 1 8 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.215 4.980 19355
526 1 8 . 1 1 13 13 ARG H H 13 7.082 7.082 8.292 -1.210 19355
527 1 8 . 1 1 14 14 ARG C C 14 175.104 175.104 174.548 0.556 19355
528 1 8 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.465 2.285 19355
529 1 9 . 1 1 2 2 LEU N N 2 118.463 118.463 119.544 -1.081 19355
530 1 9 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.836 -0.308 19355
531 1 9 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.154 -0.826 19355
532 1 9 . 1 1 2 2 LEU CB C 2 43.051 43.051 44.191 -1.140 19355
533 1 9 . 1 1 2 2 LEU H H 2 8.393 8.393 8.496 -0.103 19355
534 1 9 . 1 1 3 3 ARG N N 3 116.545 116.545 120.546 -4.001 19355
535 1 9 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.321 0.155 19355
536 1 9 . 1 1 3 3 ARG C C 3 173.577 173.577 177.560 -3.983 19355
537 1 9 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.419 -3.923 19355
538 1 9 . 1 1 3 3 ARG CB C 3 28.515 28.515 30.940 -2.425 19355
539 1 9 . 1 1 3 3 ARG H H 3 7.860 7.860 8.240 -0.380 19355
540 1 9 . 1 1 4 4 ARG N N 4 114.271 114.271 117.481 -3.210 19355
541 1 9 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.272 0.123 19355
542 1 9 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.737 0.228 19355
543 1 9 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.746 3.676 19355
544 1 9 . 1 1 4 4 ARG H H 4 7.140 7.140 7.797 -0.657 19355
545 1 9 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.114 0.293 19355
546 1 9 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.666 -3.907 19355
547 1 9 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.721 4.169 19355
548 1 9 . 1 1 6 6 PHE N N 6 114.237 114.237 114.687 -0.450 19355
549 1 9 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.535 -0.556 19355
550 1 9 . 1 1 6 6 PHE C C 6 174.252 174.252 173.667 0.585 19355
551 1 9 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.360 2.692 19355
552 1 9 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.630 -3.853 19355
553 1 9 . 1 1 6 6 PHE H H 6 8.414 8.414 7.644 0.770 19355
554 1 9 . 1 1 7 7 ALA N N 7 123.916 123.916 127.464 -3.548 19355
555 1 9 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.906 -0.661 19355
556 1 9 . 1 1 7 7 ALA C C 7 178.138 178.138 176.727 1.411 19355
557 1 9 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.550 2.372 19355
558 1 9 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.031 0.505 19355
559 1 9 . 1 1 7 7 ALA H H 7 8.647 8.647 8.218 0.429 19355
560 1 9 . 1 1 8 8 ASN N N 8 118.947 118.947 118.818 0.129 19355
561 1 9 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.877 -0.232 19355
562 1 9 . 1 1 8 8 ASN C C 8 174.376 174.376 175.491 -1.115 19355
563 1 9 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.241 -0.187 19355
564 1 9 . 1 1 8 8 ASN CB C 8 39.512 39.512 40.505 -0.994 19355
565 1 9 . 1 1 8 8 ASN H H 8 6.983 6.983 8.610 -1.627 19355
566 1 9 . 1 1 9 9 GLN N N 9 114.393 114.393 122.947 -8.554 19355
567 1 9 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.076 -0.487 19355
568 1 9 . 1 1 9 9 GLN C C 9 174.086 174.086 177.734 -3.648 19355
569 1 9 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.794 1.586 19355
570 1 9 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.819 0.750 19355
571 1 9 . 1 1 9 9 GLN H H 9 8.315 8.315 8.561 -0.246 19355
572 1 9 . 1 1 10 10 LEU N N 10 110.452 110.452 119.193 -8.741 19355
573 1 9 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.161 0.240 19355
574 1 9 . 1 1 10 10 LEU C C 10 174.539 174.539 178.021 -3.482 19355
575 1 9 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.391 -0.174 19355
576 1 9 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.061 3.034 19355
577 1 9 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355
578 1 9 . 1 1 11 11 VAL N N 11 111.103 111.103 117.175 -6.072 19355
579 1 9 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.263 0.130 19355
580 1 9 . 1 1 11 11 VAL C C 11 174.454 174.454 174.086 0.368 19355
581 1 9 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.479 -1.341 19355
582 1 9 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.474 1.533 19355
583 1 9 . 1 1 11 11 VAL H H 11 7.717 7.717 7.544 0.173 19355
584 1 9 . 1 1 12 12 GLY N N 12 115.582 115.582 110.994 4.588 19355
585 1 9 . 1 1 12 12 GLY C C 12 174.551 174.551 173.384 1.167 19355
586 1 9 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.395 -1.222 19355
587 1 9 . 1 1 12 12 GLY H H 12 8.980 8.980 8.174 0.806 19355
588 1 9 . 1 1 13 13 ARG N N 13 119.199 119.199 118.631 0.568 19355
589 1 9 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.187 0.980 19355
590 1 9 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.422 -2.075 19355
591 1 9 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.977 5.218 19355
592 1 9 . 1 1 13 13 ARG H H 13 7.082 7.082 8.203 -1.121 19355
593 1 9 . 1 1 14 14 ARG C C 14 175.104 175.104 175.336 -0.232 19355
594 1 9 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.969 1.782 19355
595 1 10 . 1 1 2 2 LEU N N 2 118.463 118.463 117.572 0.891 19355
596 1 10 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.020 -0.492 19355
597 1 10 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.184 -0.856 19355
598 1 10 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.152 -3.101 19355
599 1 10 . 1 1 2 2 LEU H H 2 8.393 8.393 8.268 0.125 19355
600 1 10 . 1 1 3 3 ARG N N 3 116.545 116.545 120.358 -3.813 19355
601 1 10 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.451 0.025 19355
602 1 10 . 1 1 3 3 ARG C C 3 173.577 173.577 177.211 -3.634 19355
603 1 10 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.965 -2.469 19355
604 1 10 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.708 -3.193 19355
605 1 10 . 1 1 3 3 ARG H H 3 7.860 7.860 8.104 -0.244 19355
606 1 10 . 1 1 4 4 ARG N N 4 114.271 114.271 119.577 -5.306 19355
607 1 10 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.157 0.238 19355
608 1 10 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.296 -0.331 19355
609 1 10 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.004 4.418 19355
610 1 10 . 1 1 4 4 ARG H H 4 7.140 7.140 7.891 -0.751 19355
611 1 10 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.101 0.306 19355
612 1 10 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.544 -3.785 19355
613 1 10 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.388 4.502 19355
614 1 10 . 1 1 6 6 PHE N N 6 114.237 114.237 113.911 0.326 19355
615 1 10 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.505 -0.526 19355
616 1 10 . 1 1 6 6 PHE C C 6 174.252 174.252 173.748 0.504 19355
617 1 10 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.285 2.767 19355
618 1 10 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.234 -4.457 19355
619 1 10 . 1 1 6 6 PHE H H 6 8.414 8.414 7.612 0.802 19355
620 1 10 . 1 1 7 7 ALA N N 7 123.916 123.916 124.287 -0.371 19355
621 1 10 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.558 -0.313 19355
622 1 10 . 1 1 7 7 ALA C C 7 178.138 178.138 176.139 1.999 19355
623 1 10 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.234 3.688 19355
624 1 10 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.070 0.466 19355
625 1 10 . 1 1 7 7 ALA H H 7 8.647 8.647 7.326 1.321 19355
626 1 10 . 1 1 8 8 ASN N N 8 118.947 118.947 123.161 -4.214 19355
627 1 10 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.575 0.070 19355
628 1 10 . 1 1 8 8 ASN C C 8 174.376 174.376 176.416 -2.040 19355
629 1 10 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.362 -1.308 19355
630 1 10 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.194 0.318 19355
631 1 10 . 1 1 8 8 ASN H H 8 6.983 6.983 8.653 -1.670 19355
632 1 10 . 1 1 9 9 GLN N N 9 114.393 114.393 121.876 -7.483 19355
633 1 10 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355
634 1 10 . 1 1 9 9 GLN C C 9 174.086 174.086 177.489 -3.403 19355
635 1 10 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.109 1.271 19355
636 1 10 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.946 0.623 19355
637 1 10 . 1 1 9 9 GLN H H 9 8.315 8.315 8.665 -0.350 19355
638 1 10 . 1 1 10 10 LEU N N 10 110.452 110.452 119.174 -8.722 19355
639 1 10 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.183 0.218 19355
640 1 10 . 1 1 10 10 LEU C C 10 174.539 174.539 178.030 -3.491 19355
641 1 10 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.418 -0.202 19355
642 1 10 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.083 3.012 19355
643 1 10 . 1 1 10 10 LEU H H 10 7.719 7.719 7.943 -0.224 19355
644 1 10 . 1 1 11 11 VAL N N 11 111.103 111.103 116.695 -5.592 19355
645 1 10 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.239 0.154 19355
646 1 10 . 1 1 11 11 VAL C C 11 174.454 174.454 174.142 0.312 19355
647 1 10 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.735 -1.597 19355
648 1 10 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.343 1.664 19355
649 1 10 . 1 1 11 11 VAL H H 11 7.717 7.717 7.557 0.160 19355
650 1 10 . 1 1 12 12 GLY N N 12 115.582 115.582 110.939 4.643 19355
651 1 10 . 1 1 12 12 GLY C C 12 174.551 174.551 174.039 0.512 19355
652 1 10 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.691 -1.518 19355
653 1 10 . 1 1 12 12 GLY H H 12 8.980 8.980 8.244 0.736 19355
654 1 10 . 1 1 13 13 ARG N N 13 119.199 119.199 119.573 -0.374 19355
655 1 10 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.134 1.033 19355
656 1 10 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.819 -2.472 19355
657 1 10 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.219 4.976 19355
658 1 10 . 1 1 13 13 ARG H H 13 7.082 7.082 8.276 -1.194 19355
659 1 10 . 1 1 14 14 ARG C C 14 175.104 175.104 174.253 0.851 19355
660 1 10 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.480 3.271 19355
661 1 11 . 1 1 2 2 LEU N N 2 118.463 118.463 120.149 -1.686 19355
662 1 11 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.777 -0.249 19355
663 1 11 . 1 1 2 2 LEU CA C 2 53.328 53.328 55.202 -1.874 19355
664 1 11 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.142 -0.091 19355
665 1 11 . 1 1 2 2 LEU H H 2 8.393 8.393 8.246 0.147 19355
666 1 11 . 1 1 3 3 ARG N N 3 116.545 116.545 119.795 -3.250 19355
667 1 11 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.468 0.008 19355
668 1 11 . 1 1 3 3 ARG C C 3 173.577 173.577 177.487 -3.910 19355
669 1 11 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.960 -2.464 19355
670 1 11 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.403 -2.888 19355
671 1 11 . 1 1 3 3 ARG H H 3 7.860 7.860 8.146 -0.286 19355
672 1 11 . 1 1 4 4 ARG N N 4 114.271 114.271 119.583 -5.312 19355
673 1 11 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.202 0.193 19355
674 1 11 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.926 0.039 19355
675 1 11 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.006 4.416 19355
676 1 11 . 1 1 4 4 ARG H H 4 7.140 7.140 7.852 -0.712 19355
677 1 11 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.096 0.311 19355
678 1 11 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.050 -3.291 19355
679 1 11 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.407 4.483 19355
680 1 11 . 1 1 6 6 PHE N N 6 114.237 114.237 113.694 0.543 19355
681 1 11 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.460 -0.481 19355
682 1 11 . 1 1 6 6 PHE C C 6 174.252 174.252 172.963 1.289 19355
683 1 11 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.206 2.846 19355
684 1 11 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.636 -4.859 19355
685 1 11 . 1 1 6 6 PHE H H 6 8.414 8.414 7.542 0.872 19355
686 1 11 . 1 1 7 7 ALA N N 7 123.916 123.916 121.905 2.011 19355
687 1 11 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.787 -0.542 19355
688 1 11 . 1 1 7 7 ALA C C 7 178.138 178.138 175.876 2.262 19355
689 1 11 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.490 3.432 19355
690 1 11 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.387 -0.852 19355
691 1 11 . 1 1 7 7 ALA H H 7 8.647 8.647 7.378 1.269 19355
692 1 11 . 1 1 8 8 ASN N N 8 118.947 118.947 119.343 -0.396 19355
693 1 11 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.969 -0.324 19355
694 1 11 . 1 1 8 8 ASN C C 8 174.376 174.376 175.995 -1.619 19355
695 1 11 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.387 -0.333 19355
696 1 11 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.870 -0.358 19355
697 1 11 . 1 1 8 8 ASN H H 8 6.983 6.983 8.690 -1.707 19355
698 1 11 . 1 1 9 9 GLN N N 9 114.393 114.393 123.228 -8.835 19355
699 1 11 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355
700 1 11 . 1 1 9 9 GLN C C 9 174.086 174.086 177.638 -3.552 19355
701 1 11 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.912 1.468 19355
702 1 11 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.842 0.727 19355
703 1 11 . 1 1 9 9 GLN H H 9 8.315 8.315 8.616 -0.301 19355
704 1 11 . 1 1 10 10 LEU N N 10 110.452 110.452 119.193 -8.741 19355
705 1 11 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.186 0.215 19355
706 1 11 . 1 1 10 10 LEU C C 10 174.539 174.539 178.056 -3.517 19355
707 1 11 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.327 -0.111 19355
708 1 11 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.092 3.003 19355
709 1 11 . 1 1 10 10 LEU H H 10 7.719 7.719 7.926 -0.207 19355
710 1 11 . 1 1 11 11 VAL N N 11 111.103 111.103 117.047 -5.944 19355
711 1 11 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.261 0.132 19355
712 1 11 . 1 1 11 11 VAL C C 11 174.454 174.454 174.117 0.337 19355
713 1 11 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.612 -1.474 19355
714 1 11 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.473 1.534 19355
715 1 11 . 1 1 11 11 VAL H H 11 7.717 7.717 7.562 0.155 19355
716 1 11 . 1 1 12 12 GLY N N 12 115.582 115.582 110.825 4.757 19355
717 1 11 . 1 1 12 12 GLY C C 12 174.551 174.551 173.422 1.129 19355
718 1 11 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.462 -1.289 19355
719 1 11 . 1 1 12 12 GLY H H 12 8.980 8.980 8.143 0.837 19355
720 1 11 . 1 1 13 13 ARG N N 13 119.199 119.199 119.851 -0.652 19355
721 1 11 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.042 1.125 19355
722 1 11 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.753 -2.406 19355
723 1 11 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.004 6.191 19355
724 1 11 . 1 1 13 13 ARG H H 13 7.082 7.082 8.192 -1.110 19355
725 1 11 . 1 1 14 14 ARG C C 14 175.104 175.104 175.563 -0.459 19355
726 1 11 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.779 1.972 19355
727 1 12 . 1 1 2 2 LEU N N 2 118.463 118.463 118.108 0.355 19355
728 1 12 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.119 -0.591 19355
729 1 12 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.234 0.094 19355
730 1 12 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.048 -2.997 19355
731 1 12 . 1 1 2 2 LEU H H 2 8.393 8.393 7.879 0.514 19355
732 1 12 . 1 1 3 3 ARG N N 3 116.545 116.545 119.848 -3.303 19355
733 1 12 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.448 0.028 19355
734 1 12 . 1 1 3 3 ARG C C 3 173.577 173.577 178.065 -4.488 19355
735 1 12 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.200 -2.704 19355
736 1 12 . 1 1 3 3 ARG CB C 3 28.515 28.515 32.027 -3.512 19355
737 1 12 . 1 1 3 3 ARG H H 3 7.860 7.860 8.166 -0.306 19355
738 1 12 . 1 1 4 4 ARG N N 4 114.271 114.271 120.414 -6.143 19355
739 1 12 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.118 0.277 19355
740 1 12 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.741 -0.776 19355
741 1 12 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.068 4.354 19355
742 1 12 . 1 1 4 4 ARG H H 4 7.140 7.140 8.067 -0.927 19355
743 1 12 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.083 0.324 19355
744 1 12 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.094 -3.335 19355
745 1 12 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.502 4.388 19355
746 1 12 . 1 1 6 6 PHE N N 6 114.237 114.237 113.803 0.434 19355
747 1 12 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.511 -0.531 19355
748 1 12 . 1 1 6 6 PHE C C 6 174.252 174.252 173.608 0.644 19355
749 1 12 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.425 2.627 19355
750 1 12 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.206 -4.429 19355
751 1 12 . 1 1 6 6 PHE H H 6 8.414 8.414 7.586 0.828 19355
752 1 12 . 1 1 7 7 ALA N N 7 123.916 123.916 123.716 0.200 19355
753 1 12 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.643 -0.398 19355
754 1 12 . 1 1 7 7 ALA C C 7 178.138 178.138 175.886 2.252 19355
755 1 12 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.353 3.569 19355
756 1 12 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.189 -0.653 19355
757 1 12 . 1 1 7 7 ALA H H 7 8.647 8.647 7.454 1.193 19355
758 1 12 . 1 1 8 8 ASN N N 8 118.947 118.947 121.344 -2.397 19355
759 1 12 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.871 -0.226 19355
760 1 12 . 1 1 8 8 ASN C C 8 174.376 174.376 176.113 -1.737 19355
761 1 12 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.755 -0.701 19355
762 1 12 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.374 0.138 19355
763 1 12 . 1 1 8 8 ASN H H 8 6.983 6.983 8.694 -1.711 19355
764 1 12 . 1 1 9 9 GLN N N 9 114.393 114.393 123.213 -8.820 19355
765 1 12 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.112 -0.523 19355
766 1 12 . 1 1 9 9 GLN C C 9 174.086 174.086 177.706 -3.620 19355
767 1 12 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.854 1.526 19355
768 1 12 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.818 0.751 19355
769 1 12 . 1 1 9 9 GLN H H 9 8.315 8.315 8.588 -0.273 19355
770 1 12 . 1 1 10 10 LEU N N 10 110.452 110.452 119.254 -8.802 19355
771 1 12 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.172 0.229 19355
772 1 12 . 1 1 10 10 LEU C C 10 174.539 174.539 178.104 -3.565 19355
773 1 12 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.424 -0.208 19355
774 1 12 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.048 3.047 19355
775 1 12 . 1 1 10 10 LEU H H 10 7.719 7.719 7.959 -0.240 19355
776 1 12 . 1 1 11 11 VAL N N 11 111.103 111.103 117.180 -6.077 19355
777 1 12 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.271 0.122 19355
778 1 12 . 1 1 11 11 VAL C C 11 174.454 174.454 174.117 0.337 19355
779 1 12 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.394 -1.256 19355
780 1 12 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.647 1.360 19355
781 1 12 . 1 1 11 11 VAL H H 11 7.717 7.717 7.593 0.124 19355
782 1 12 . 1 1 12 12 GLY N N 12 115.582 115.582 110.495 5.087 19355
783 1 12 . 1 1 12 12 GLY C C 12 174.551 174.551 173.677 0.874 19355
784 1 12 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.190 -1.016 19355
785 1 12 . 1 1 12 12 GLY H H 12 8.980 8.980 8.077 0.903 19355
786 1 12 . 1 1 13 13 ARG N N 13 119.199 119.199 118.077 1.122 19355
787 1 12 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.051 1.116 19355
788 1 12 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.507 -2.160 19355
789 1 12 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.479 5.716 19355
790 1 12 . 1 1 13 13 ARG H H 13 7.082 7.082 8.173 -1.091 19355
791 1 12 . 1 1 14 14 ARG C C 14 175.104 175.104 174.853 0.251 19355
792 1 12 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.083 2.668 19355
793 1 13 . 1 1 2 2 LEU N N 2 118.463 118.463 117.499 0.964 19355
794 1 13 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.247 -0.719 19355
795 1 13 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.047 -0.719 19355
796 1 13 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.044 -2.993 19355
797 1 13 . 1 1 2 2 LEU H H 2 8.393 8.393 8.258 0.135 19355
798 1 13 . 1 1 3 3 ARG N N 3 116.545 116.545 120.072 -3.527 19355
799 1 13 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.547 -0.071 19355
800 1 13 . 1 1 3 3 ARG C C 3 173.577 173.577 177.039 -3.462 19355
801 1 13 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.922 -2.426 19355
802 1 13 . 1 1 3 3 ARG CB C 3 28.515 28.515 32.047 -3.532 19355
803 1 13 . 1 1 3 3 ARG H H 3 7.860 7.860 8.168 -0.308 19355
804 1 13 . 1 1 4 4 ARG N N 4 114.271 114.271 120.215 -5.944 19355
805 1 13 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.135 0.260 19355
806 1 13 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.067 -0.102 19355
807 1 13 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.834 4.588 19355
808 1 13 . 1 1 4 4 ARG H H 4 7.140 7.140 7.846 -0.706 19355
809 1 13 . 1 1 5 5 LEU HA H 5 4.407 4.407 3.951 0.456 19355
810 1 13 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.075 -3.316 19355
811 1 13 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.297 4.593 19355
812 1 13 . 1 1 6 6 PHE N N 6 114.237 114.237 113.467 0.770 19355
813 1 13 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.491 -0.512 19355
814 1 13 . 1 1 6 6 PHE C C 6 174.252 174.252 173.720 0.532 19355
815 1 13 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.106 2.946 19355
816 1 13 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.840 -5.063 19355
817 1 13 . 1 1 6 6 PHE H H 6 8.414 8.414 7.492 0.922 19355
818 1 13 . 1 1 7 7 ALA N N 7 123.916 123.916 122.710 1.206 19355
819 1 13 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.787 -0.542 19355
820 1 13 . 1 1 7 7 ALA C C 7 178.138 178.138 176.219 1.919 19355
821 1 13 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.670 3.252 19355
822 1 13 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.578 -1.042 19355
823 1 13 . 1 1 7 7 ALA H H 7 8.647 8.647 8.529 0.118 19355
824 1 13 . 1 1 8 8 ASN N N 8 118.947 118.947 120.445 -1.498 19355
825 1 13 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.891 -0.246 19355
826 1 13 . 1 1 8 8 ASN C C 8 174.376 174.376 176.274 -1.898 19355
827 1 13 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.493 -0.439 19355
828 1 13 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.562 -0.050 19355
829 1 13 . 1 1 8 8 ASN H H 8 6.983 6.983 8.695 -1.712 19355
830 1 13 . 1 1 9 9 GLN N N 9 114.393 114.393 123.219 -8.826 19355
831 1 13 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.104 -0.515 19355
832 1 13 . 1 1 9 9 GLN C C 9 174.086 174.086 177.614 -3.528 19355
833 1 13 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.897 1.483 19355
834 1 13 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.811 0.758 19355
835 1 13 . 1 1 9 9 GLN H H 9 8.315 8.315 8.564 -0.249 19355
836 1 13 . 1 1 10 10 LEU N N 10 110.452 110.452 119.219 -8.767 19355
837 1 13 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.173 0.228 19355
838 1 13 . 1 1 10 10 LEU C C 10 174.539 174.539 178.039 -3.500 19355
839 1 13 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.375 -0.159 19355
840 1 13 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.071 3.024 19355
841 1 13 . 1 1 10 10 LEU H H 10 7.719 7.719 7.936 -0.217 19355
842 1 13 . 1 1 11 11 VAL N N 11 111.103 111.103 116.446 -5.343 19355
843 1 13 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.222 0.171 19355
844 1 13 . 1 1 11 11 VAL C C 11 174.454 174.454 174.155 0.299 19355
845 1 13 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.779 -1.641 19355
846 1 13 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.282 1.724 19355
847 1 13 . 1 1 11 11 VAL H H 11 7.717 7.717 7.539 0.178 19355
848 1 13 . 1 1 12 12 GLY N N 12 115.582 115.582 110.812 4.770 19355
849 1 13 . 1 1 12 12 GLY C C 12 174.551 174.551 173.712 0.839 19355
850 1 13 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.474 -1.300 19355
851 1 13 . 1 1 12 12 GLY H H 12 8.980 8.980 8.235 0.745 19355
852 1 13 . 1 1 13 13 ARG N N 13 119.199 119.199 119.101 0.098 19355
853 1 13 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.143 1.024 19355
854 1 13 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.665 -2.318 19355
855 1 13 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.311 5.884 19355
856 1 13 . 1 1 13 13 ARG H H 13 7.082 7.082 8.136 -1.054 19355
857 1 13 . 1 1 14 14 ARG C C 14 175.104 175.104 175.709 -0.605 19355
858 1 13 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.662 2.089 19355
859 1 14 . 1 1 2 2 LEU N N 2 118.463 118.463 119.359 -0.896 19355
860 1 14 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.666 -0.138 19355
861 1 14 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.538 -1.210 19355
862 1 14 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.794 -0.743 19355
863 1 14 . 1 1 2 2 LEU H H 2 8.393 8.393 8.062 0.331 19355
864 1 14 . 1 1 3 3 ARG N N 3 116.545 116.545 120.101 -3.556 19355
865 1 14 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.454 0.022 19355
866 1 14 . 1 1 3 3 ARG C C 3 173.577 173.577 177.401 -3.824 19355
867 1 14 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.720 -3.224 19355
868 1 14 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.177 -2.662 19355
869 1 14 . 1 1 3 3 ARG H H 3 7.860 7.860 7.935 -0.075 19355
870 1 14 . 1 1 4 4 ARG N N 4 114.271 114.271 118.530 -4.259 19355
871 1 14 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.194 0.201 19355
872 1 14 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.969 -0.004 19355
873 1 14 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.959 4.463 19355
874 1 14 . 1 1 4 4 ARG H H 4 7.140 7.140 7.903 -0.763 19355
875 1 14 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.115 0.292 19355
876 1 14 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.397 -3.638 19355
877 1 14 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.617 4.273 19355
878 1 14 . 1 1 6 6 PHE N N 6 114.237 114.237 114.887 -0.650 19355
879 1 14 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.499 -0.520 19355
880 1 14 . 1 1 6 6 PHE C C 6 174.252 174.252 173.593 0.659 19355
881 1 14 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.565 2.487 19355
882 1 14 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.114 -4.337 19355
883 1 14 . 1 1 6 6 PHE H H 6 8.414 8.414 7.586 0.828 19355
884 1 14 . 1 1 7 7 ALA N N 7 123.916 123.916 127.801 -3.885 19355
885 1 14 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.741 -0.496 19355
886 1 14 . 1 1 7 7 ALA C C 7 178.138 178.138 177.067 1.071 19355
887 1 14 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.662 2.260 19355
888 1 14 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.747 0.789 19355
889 1 14 . 1 1 7 7 ALA H H 7 8.647 8.647 8.177 0.470 19355
890 1 14 . 1 1 8 8 ASN N N 8 118.947 118.947 121.365 -2.418 19355
891 1 14 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.920 -0.275 19355
892 1 14 . 1 1 8 8 ASN C C 8 174.376 174.376 176.276 -1.900 19355
893 1 14 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.645 -0.591 19355
894 1 14 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.661 -0.149 19355
895 1 14 . 1 1 8 8 ASN H H 8 6.983 6.983 8.461 -1.478 19355
896 1 14 . 1 1 9 9 GLN N N 9 114.393 114.393 123.924 -9.531 19355
897 1 14 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.134 -0.545 19355
898 1 14 . 1 1 9 9 GLN C C 9 174.086 174.086 177.747 -3.661 19355
899 1 14 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.107 1.273 19355
900 1 14 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355
901 1 14 . 1 1 9 9 GLN H H 9 8.315 8.315 8.695 -0.380 19355
902 1 14 . 1 1 10 10 LEU N N 10 110.452 110.452 119.198 -8.746 19355
903 1 14 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.171 0.230 19355
904 1 14 . 1 1 10 10 LEU C C 10 174.539 174.539 178.071 -3.532 19355
905 1 14 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.483 -0.267 19355
906 1 14 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.055 3.040 19355
907 1 14 . 1 1 10 10 LEU H H 10 7.719 7.719 7.950 -0.231 19355
908 1 14 . 1 1 11 11 VAL N N 11 111.103 111.103 116.869 -5.766 19355
909 1 14 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.252 0.141 19355
910 1 14 . 1 1 11 11 VAL C C 11 174.454 174.454 174.126 0.328 19355
911 1 14 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.388 -1.250 19355
912 1 14 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.602 1.405 19355
913 1 14 . 1 1 11 11 VAL H H 11 7.717 7.717 7.589 0.128 19355
914 1 14 . 1 1 12 12 GLY N N 12 115.582 115.582 110.394 5.188 19355
915 1 14 . 1 1 12 12 GLY C C 12 174.551 174.551 173.767 0.784 19355
916 1 14 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.254 -1.081 19355
917 1 14 . 1 1 12 12 GLY H H 12 8.980 8.980 8.099 0.881 19355
918 1 14 . 1 1 13 13 ARG N N 13 119.199 119.199 120.152 -0.953 19355
919 1 14 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.054 1.113 19355
920 1 14 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.419 -2.072 19355
921 1 14 . 1 1 13 13 ARG CB C 13 33.195 33.195 26.838 6.357 19355
922 1 14 . 1 1 13 13 ARG H H 13 7.082 7.082 8.244 -1.162 19355
923 1 14 . 1 1 14 14 ARG C C 14 175.104 175.104 176.328 -1.224 19355
924 1 14 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.787 2.964 19355
925 1 15 . 1 1 2 2 LEU N N 2 118.463 118.463 118.156 0.307 19355
926 1 15 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.152 -0.624 19355
927 1 15 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.791 -0.463 19355
928 1 15 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.940 -2.889 19355
929 1 15 . 1 1 2 2 LEU H H 2 8.393 8.393 8.239 0.154 19355
930 1 15 . 1 1 3 3 ARG N N 3 116.545 116.545 119.769 -3.224 19355
931 1 15 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.523 -0.047 19355
932 1 15 . 1 1 3 3 ARG C C 3 173.577 173.577 178.319 -4.742 19355
933 1 15 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.036 -2.540 19355
934 1 15 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.540 -3.025 19355
935 1 15 . 1 1 3 3 ARG H H 3 7.860 7.860 8.117 -0.257 19355
936 1 15 . 1 1 4 4 ARG N N 4 114.271 114.271 120.678 -6.407 19355
937 1 15 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.136 0.259 19355
938 1 15 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.313 -0.348 19355
939 1 15 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.022 4.400 19355
940 1 15 . 1 1 4 4 ARG H H 4 7.140 7.140 7.858 -0.718 19355
941 1 15 . 1 1 5 5 LEU HA H 5 4.407 4.407 3.919 0.488 19355
942 1 15 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.207 -3.448 19355
943 1 15 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.363 4.527 19355
944 1 15 . 1 1 6 6 PHE N N 6 114.237 114.237 113.322 0.915 19355
945 1 15 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.509 -0.530 19355
946 1 15 . 1 1 6 6 PHE C C 6 174.252 174.252 173.757 0.495 19355
947 1 15 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.088 2.964 19355
948 1 15 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.980 -5.202 19355
949 1 15 . 1 1 6 6 PHE H H 6 8.414 8.414 7.506 0.908 19355
950 1 15 . 1 1 7 7 ALA N N 7 123.916 123.916 122.840 1.076 19355
951 1 15 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.783 -0.538 19355
952 1 15 . 1 1 7 7 ALA C C 7 178.138 178.138 176.242 1.896 19355
953 1 15 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.716 3.206 19355
954 1 15 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.609 -1.073 19355
955 1 15 . 1 1 7 7 ALA H H 7 8.647 8.647 8.512 0.135 19355
956 1 15 . 1 1 8 8 ASN N N 8 118.947 118.947 121.163 -2.216 19355
957 1 15 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.835 -0.190 19355
958 1 15 . 1 1 8 8 ASN C C 8 174.376 174.376 176.399 -2.023 19355
959 1 15 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.773 -0.719 19355
960 1 15 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.502 0.010 19355
961 1 15 . 1 1 8 8 ASN H H 8 6.983 6.983 8.726 -1.743 19355
962 1 15 . 1 1 9 9 GLN N N 9 114.393 114.393 122.985 -8.592 19355
963 1 15 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.105 -0.516 19355
964 1 15 . 1 1 9 9 GLN C C 9 174.086 174.086 177.668 -3.582 19355
965 1 15 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.965 1.415 19355
966 1 15 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.856 0.713 19355
967 1 15 . 1 1 9 9 GLN H H 9 8.315 8.315 8.564 -0.249 19355
968 1 15 . 1 1 10 10 LEU N N 10 110.452 110.452 119.143 -8.691 19355
969 1 15 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.183 0.218 19355
970 1 15 . 1 1 10 10 LEU C C 10 174.539 174.539 178.016 -3.477 19355
971 1 15 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.325 -0.109 19355
972 1 15 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.094 3.001 19355
973 1 15 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355
974 1 15 . 1 1 11 11 VAL N N 11 111.103 111.103 116.752 -5.649 19355
975 1 15 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.242 0.151 19355
976 1 15 . 1 1 11 11 VAL C C 11 174.454 174.454 174.116 0.338 19355
977 1 15 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.705 -1.567 19355
978 1 15 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.406 1.601 19355
979 1 15 . 1 1 11 11 VAL H H 11 7.717 7.717 7.556 0.161 19355
980 1 15 . 1 1 12 12 GLY N N 12 115.582 115.582 110.609 4.973 19355
981 1 15 . 1 1 12 12 GLY C C 12 174.551 174.551 174.059 0.492 19355
982 1 15 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.603 -1.430 19355
983 1 15 . 1 1 12 12 GLY H H 12 8.980 8.980 8.225 0.755 19355
984 1 15 . 1 1 13 13 ARG N N 13 119.199 119.199 119.522 -0.323 19355
985 1 15 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.166 1.001 19355
986 1 15 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.697 -2.350 19355
987 1 15 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.542 5.653 19355
988 1 15 . 1 1 13 13 ARG H H 13 7.082 7.082 8.070 -0.988 19355
989 1 15 . 1 1 14 14 ARG C C 14 175.104 175.104 174.687 0.417 19355
990 1 15 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.674 3.078 19355
991 1 16 . 1 1 2 2 LEU N N 2 118.463 118.463 119.539 -1.076 19355
992 1 16 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.209 -0.681 19355
993 1 16 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.298 0.030 19355
994 1 16 . 1 1 2 2 LEU CB C 2 43.051 43.051 44.817 -1.766 19355
995 1 16 . 1 1 2 2 LEU H H 2 8.393 8.393 8.276 0.117 19355
996 1 16 . 1 1 3 3 ARG N N 3 116.545 116.545 120.392 -3.847 19355
997 1 16 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.500 -0.024 19355
998 1 16 . 1 1 3 3 ARG C C 3 173.577 173.577 177.248 -3.671 19355
999 1 16 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.230 -2.734 19355
1000 1 16 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.350 -2.835 19355
1001 1 16 . 1 1 3 3 ARG H H 3 7.860 7.860 7.938 -0.078 19355
1002 1 16 . 1 1 4 4 ARG N N 4 114.271 114.271 119.298 -5.027 19355
1003 1 16 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.145 0.250 19355
1004 1 16 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.392 -0.428 19355
1005 1 16 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.907 4.516 19355
1006 1 16 . 1 1 4 4 ARG H H 4 7.140 7.140 8.106 -0.966 19355
1007 1 16 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.110 0.297 19355
1008 1 16 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.295 -3.536 19355
1009 1 16 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.578 4.312 19355
1010 1 16 . 1 1 6 6 PHE N N 6 114.237 114.237 114.867 -0.630 19355
1011 1 16 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.515 -0.536 19355
1012 1 16 . 1 1 6 6 PHE C C 6 174.252 174.252 173.642 0.610 19355
1013 1 16 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.183 2.869 19355
1014 1 16 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.864 -4.087 19355
1015 1 16 . 1 1 6 6 PHE H H 6 8.414 8.414 7.600 0.814 19355
1016 1 16 . 1 1 7 7 ALA N N 7 123.916 123.916 127.800 -3.884 19355
1017 1 16 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.591 -0.346 19355
1018 1 16 . 1 1 7 7 ALA C C 7 178.138 178.138 176.864 1.274 19355
1019 1 16 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.829 2.093 19355
1020 1 16 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.695 0.841 19355
1021 1 16 . 1 1 7 7 ALA H H 7 8.647 8.647 8.104 0.543 19355
1022 1 16 . 1 1 8 8 ASN N N 8 118.947 118.947 120.487 -1.540 19355
1023 1 16 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.852 -0.207 19355
1024 1 16 . 1 1 8 8 ASN C C 8 174.376 174.376 175.696 -1.320 19355
1025 1 16 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.342 -0.288 19355
1026 1 16 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.788 -0.275 19355
1027 1 16 . 1 1 8 8 ASN H H 8 6.983 6.983 8.408 -1.425 19355
1028 1 16 . 1 1 9 9 GLN N N 9 114.393 114.393 123.337 -8.944 19355
1029 1 16 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.072 -0.483 19355
1030 1 16 . 1 1 9 9 GLN C C 9 174.086 174.086 177.671 -3.585 19355
1031 1 16 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.818 1.562 19355
1032 1 16 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.777 0.792 19355
1033 1 16 . 1 1 9 9 GLN H H 9 8.315 8.315 8.538 -0.223 19355
1034 1 16 . 1 1 10 10 LEU N N 10 110.452 110.452 119.264 -8.812 19355
1035 1 16 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.153 0.248 19355
1036 1 16 . 1 1 10 10 LEU C C 10 174.539 174.539 178.091 -3.552 19355
1037 1 16 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.485 -0.269 19355
1038 1 16 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.026 3.070 19355
1039 1 16 . 1 1 10 10 LEU H H 10 7.719 7.719 7.960 -0.241 19355
1040 1 16 . 1 1 11 11 VAL N N 11 111.103 111.103 116.850 -5.747 19355
1041 1 16 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.247 0.146 19355
1042 1 16 . 1 1 11 11 VAL C C 11 174.454 174.454 174.119 0.335 19355
1043 1 16 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.356 -1.218 19355
1044 1 16 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.588 1.419 19355
1045 1 16 . 1 1 11 11 VAL H H 11 7.717 7.717 7.567 0.150 19355
1046 1 16 . 1 1 12 12 GLY N N 12 115.582 115.582 110.184 5.398 19355
1047 1 16 . 1 1 12 12 GLY C C 12 174.551 174.551 173.749 0.802 19355
1048 1 16 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.259 -1.086 19355
1049 1 16 . 1 1 12 12 GLY H H 12 8.980 8.980 8.094 0.886 19355
1050 1 16 . 1 1 13 13 ARG N N 13 119.199 119.199 119.482 -0.283 19355
1051 1 16 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.029 1.138 19355
1052 1 16 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.352 -2.005 19355
1053 1 16 . 1 1 13 13 ARG CB C 13 33.195 33.195 26.953 6.242 19355
1054 1 16 . 1 1 13 13 ARG H H 13 7.082 7.082 8.032 -0.950 19355
1055 1 16 . 1 1 14 14 ARG C C 14 175.104 175.104 176.086 -0.982 19355
1056 1 16 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.158 2.593 19355
1057 1 17 . 1 1 2 2 LEU N N 2 118.463 118.463 119.032 -0.569 19355
1058 1 17 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.303 -0.775 19355
1059 1 17 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.333 -0.005 19355
1060 1 17 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.361 -2.310 19355
1061 1 17 . 1 1 2 2 LEU H H 2 8.393 8.393 7.855 0.538 19355
1062 1 17 . 1 1 3 3 ARG N N 3 116.545 116.545 120.035 -3.490 19355
1063 1 17 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.510 -0.034 19355
1064 1 17 . 1 1 3 3 ARG C C 3 173.577 173.577 177.890 -4.313 19355
1065 1 17 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.009 -2.513 19355
1066 1 17 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.794 -3.279 19355
1067 1 17 . 1 1 3 3 ARG H H 3 7.860 7.860 8.330 -0.470 19355
1068 1 17 . 1 1 4 4 ARG N N 4 114.271 114.271 119.979 -5.708 19355
1069 1 17 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.153 0.242 19355
1070 1 17 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.483 -0.519 19355
1071 1 17 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.211 4.211 19355
1072 1 17 . 1 1 4 4 ARG H H 4 7.140 7.140 7.970 -0.830 19355
1073 1 17 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.084 0.323 19355
1074 1 17 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.200 -3.441 19355
1075 1 17 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.539 4.351 19355
1076 1 17 . 1 1 6 6 PHE N N 6 114.237 114.237 115.334 -1.097 19355
1077 1 17 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.550 -0.571 19355
1078 1 17 . 1 1 6 6 PHE C C 6 174.252 174.252 173.267 0.985 19355
1079 1 17 . 1 1 6 6 PHE CA C 6 60.052 60.052 56.752 3.300 19355
1080 1 17 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.677 -3.900 19355
1081 1 17 . 1 1 6 6 PHE H H 6 8.414 8.414 7.563 0.851 19355
1082 1 17 . 1 1 7 7 ALA N N 7 123.916 123.916 128.725 -4.809 19355
1083 1 17 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.396 -0.151 19355
1084 1 17 . 1 1 7 7 ALA C C 7 178.138 178.138 176.313 1.825 19355
1085 1 17 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.347 2.575 19355
1086 1 17 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.554 0.982 19355
1087 1 17 . 1 1 7 7 ALA H H 7 8.647 8.647 8.241 0.406 19355
1088 1 17 . 1 1 8 8 ASN N N 8 118.947 118.947 121.146 -2.199 19355
1089 1 17 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.411 0.234 19355
1090 1 17 . 1 1 8 8 ASN C C 8 174.376 174.376 175.915 -1.539 19355
1091 1 17 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.730 -0.676 19355
1092 1 17 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.230 0.282 19355
1093 1 17 . 1 1 8 8 ASN H H 8 6.983 6.983 8.325 -1.341 19355
1094 1 17 . 1 1 9 9 GLN N N 9 114.393 114.393 122.990 -8.597 19355
1095 1 17 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.049 -0.460 19355
1096 1 17 . 1 1 9 9 GLN C C 9 174.086 174.086 177.719 -3.633 19355
1097 1 17 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.055 1.325 19355
1098 1 17 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.811 0.758 19355
1099 1 17 . 1 1 9 9 GLN H H 9 8.315 8.315 8.457 -0.142 19355
1100 1 17 . 1 1 10 10 LEU N N 10 110.452 110.452 119.133 -8.681 19355
1101 1 17 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.162 0.239 19355
1102 1 17 . 1 1 10 10 LEU C C 10 174.539 174.539 178.022 -3.483 19355
1103 1 17 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.410 -0.194 19355
1104 1 17 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.035 3.060 19355
1105 1 17 . 1 1 10 10 LEU H H 10 7.719 7.719 7.888 -0.169 19355
1106 1 17 . 1 1 11 11 VAL N N 11 111.103 111.103 117.188 -6.085 19355
1107 1 17 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.192 0.201 19355
1108 1 17 . 1 1 11 11 VAL C C 11 174.454 174.454 174.150 0.304 19355
1109 1 17 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.755 -1.617 19355
1110 1 17 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.660 1.347 19355
1111 1 17 . 1 1 11 11 VAL H H 11 7.717 7.717 7.558 0.159 19355
1112 1 17 . 1 1 12 12 GLY N N 12 115.582 115.582 111.907 3.675 19355
1113 1 17 . 1 1 12 12 GLY C C 12 174.551 174.551 173.874 0.677 19355
1114 1 17 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.766 -1.593 19355
1115 1 17 . 1 1 12 12 GLY H H 12 8.980 8.980 8.021 0.959 19355
1116 1 17 . 1 1 13 13 ARG N N 13 119.199 119.199 118.880 0.319 19355
1117 1 17 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.018 1.149 19355
1118 1 17 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.609 -2.262 19355
1119 1 17 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.017 6.178 19355
1120 1 17 . 1 1 13 13 ARG H H 13 7.082 7.082 8.083 -1.001 19355
1121 1 17 . 1 1 14 14 ARG C C 14 175.104 175.104 174.992 0.112 19355
1122 1 17 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.258 2.493 19355
1123 1 18 . 1 1 2 2 LEU N N 2 118.463 118.463 117.640 0.823 19355
1124 1 18 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.122 -0.594 19355
1125 1 18 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.374 -0.046 19355
1126 1 18 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.010 -2.958 19355
1127 1 18 . 1 1 2 2 LEU H H 2 8.393 8.393 8.288 0.105 19355
1128 1 18 . 1 1 3 3 ARG N N 3 116.545 116.545 120.979 -4.434 19355
1129 1 18 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.598 -0.122 19355
1130 1 18 . 1 1 3 3 ARG C C 3 173.577 173.577 177.290 -3.713 19355
1131 1 18 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.944 -2.448 19355
1132 1 18 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.642 -3.127 19355
1133 1 18 . 1 1 3 3 ARG H H 3 7.860 7.860 8.278 -0.418 19355
1134 1 18 . 1 1 4 4 ARG N N 4 114.271 114.271 119.224 -4.953 19355
1135 1 18 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.178 0.217 19355
1136 1 18 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.297 -0.332 19355
1137 1 18 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.393 4.029 19355
1138 1 18 . 1 1 4 4 ARG H H 4 7.140 7.140 7.904 -0.764 19355
1139 1 18 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.087 0.320 19355
1140 1 18 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.187 -3.428 19355
1141 1 18 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.564 4.326 19355
1142 1 18 . 1 1 6 6 PHE N N 6 114.237 114.237 114.039 0.198 19355
1143 1 18 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.504 -0.525 19355
1144 1 18 . 1 1 6 6 PHE C C 6 174.252 174.252 173.548 0.704 19355
1145 1 18 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.395 2.657 19355
1146 1 18 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.391 -4.614 19355
1147 1 18 . 1 1 6 6 PHE H H 6 8.414 8.414 7.535 0.879 19355
1148 1 18 . 1 1 7 7 ALA N N 7 123.916 123.916 124.120 -0.204 19355
1149 1 18 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.402 -0.157 19355
1150 1 18 . 1 1 7 7 ALA C C 7 178.138 178.138 176.113 2.025 19355
1151 1 18 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.345 3.577 19355
1152 1 18 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.524 0.012 19355
1153 1 18 . 1 1 7 7 ALA H H 7 8.647 8.647 7.291 1.356 19355
1154 1 18 . 1 1 8 8 ASN N N 8 118.947 118.947 122.924 -3.977 19355
1155 1 18 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.775 -0.130 19355
1156 1 18 . 1 1 8 8 ASN C C 8 174.376 174.376 176.709 -2.333 19355
1157 1 18 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.185 -1.131 19355
1158 1 18 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.196 0.316 19355
1159 1 18 . 1 1 8 8 ASN H H 8 6.983 6.983 8.681 -1.698 19355
1160 1 18 . 1 1 9 9 GLN N N 9 114.393 114.393 122.826 -8.433 19355
1161 1 18 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.080 -0.491 19355
1162 1 18 . 1 1 9 9 GLN C C 9 174.086 174.086 177.572 -3.486 19355
1163 1 18 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.950 1.430 19355
1164 1 18 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.836 0.733 19355
1165 1 18 . 1 1 9 9 GLN H H 9 8.315 8.315 8.577 -0.262 19355
1166 1 18 . 1 1 10 10 LEU N N 10 110.452 110.452 119.137 -8.685 19355
1167 1 18 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.175 0.226 19355
1168 1 18 . 1 1 10 10 LEU C C 10 174.539 174.539 177.991 -3.452 19355
1169 1 18 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.431 -0.215 19355
1170 1 18 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.099 2.996 19355
1171 1 18 . 1 1 10 10 LEU H H 10 7.719 7.719 7.960 -0.241 19355
1172 1 18 . 1 1 11 11 VAL N N 11 111.103 111.103 116.750 -5.647 19355
1173 1 18 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.225 0.168 19355
1174 1 18 . 1 1 11 11 VAL C C 11 174.454 174.454 174.144 0.310 19355
1175 1 18 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.874 -1.736 19355
1176 1 18 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.307 1.700 19355
1177 1 18 . 1 1 11 11 VAL H H 11 7.717 7.717 7.515 0.202 19355
1178 1 18 . 1 1 12 12 GLY N N 12 115.582 115.582 111.879 3.703 19355
1179 1 18 . 1 1 12 12 GLY C C 12 174.551 174.551 173.901 0.650 19355
1180 1 18 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.366 -1.193 19355
1181 1 18 . 1 1 12 12 GLY H H 12 8.980 8.980 8.342 0.638 19355
1182 1 18 . 1 1 13 13 ARG N N 13 119.199 119.199 119.155 0.044 19355
1183 1 18 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.125 1.042 19355
1184 1 18 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.753 -2.406 19355
1185 1 18 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.123 5.072 19355
1186 1 18 . 1 1 13 13 ARG H H 13 7.082 7.082 8.346 -1.264 19355
1187 1 18 . 1 1 14 14 ARG C C 14 175.104 175.104 174.595 0.509 19355
1188 1 18 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.133 2.618 19355
1189 1 19 . 1 1 2 2 LEU N N 2 118.463 118.463 118.364 0.099 19355
1190 1 19 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.112 -0.584 19355
1191 1 19 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.115 0.213 19355
1192 1 19 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.938 -2.887 19355
1193 1 19 . 1 1 2 2 LEU H H 2 8.393 8.393 7.968 0.425 19355
1194 1 19 . 1 1 3 3 ARG N N 3 116.545 116.545 119.908 -3.363 19355
1195 1 19 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.465 0.011 19355
1196 1 19 . 1 1 3 3 ARG C C 3 173.577 173.577 177.322 -3.745 19355
1197 1 19 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.081 -2.585 19355
1198 1 19 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.872 -3.357 19355
1199 1 19 . 1 1 3 3 ARG H H 3 7.860 7.860 8.254 -0.394 19355
1200 1 19 . 1 1 4 4 ARG N N 4 114.271 114.271 119.998 -5.727 19355
1201 1 19 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.157 0.238 19355
1202 1 19 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.269 -0.304 19355
1203 1 19 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.287 4.136 19355
1204 1 19 . 1 1 4 4 ARG H H 4 7.140 7.140 7.995 -0.855 19355
1205 1 19 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.104 0.303 19355
1206 1 19 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.055 -3.296 19355
1207 1 19 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.490 4.400 19355
1208 1 19 . 1 1 6 6 PHE N N 6 114.237 114.237 113.823 0.414 19355
1209 1 19 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.472 -0.493 19355
1210 1 19 . 1 1 6 6 PHE C C 6 174.252 174.252 173.530 0.722 19355
1211 1 19 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.228 2.824 19355
1212 1 19 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.514 -4.737 19355
1213 1 19 . 1 1 6 6 PHE H H 6 8.414 8.414 7.534 0.880 19355
1214 1 19 . 1 1 7 7 ALA N N 7 123.916 123.916 123.092 0.824 19355
1215 1 19 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.620 -0.375 19355
1216 1 19 . 1 1 7 7 ALA C C 7 178.138 178.138 176.149 1.989 19355
1217 1 19 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.502 3.420 19355
1218 1 19 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.929 -0.393 19355
1219 1 19 . 1 1 7 7 ALA H H 7 8.647 8.647 7.579 1.068 19355
1220 1 19 . 1 1 8 8 ASN N N 8 118.947 118.947 122.135 -3.188 19355
1221 1 19 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.817 -0.172 19355
1222 1 19 . 1 1 8 8 ASN C C 8 174.376 174.376 176.281 -1.905 19355
1223 1 19 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.020 -0.966 19355
1224 1 19 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.234 0.278 19355
1225 1 19 . 1 1 8 8 ASN H H 8 6.983 6.983 8.702 -1.719 19355
1226 1 19 . 1 1 9 9 GLN N N 9 114.393 114.393 123.293 -8.900 19355
1227 1 19 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355
1228 1 19 . 1 1 9 9 GLN C C 9 174.086 174.086 177.540 -3.454 19355
1229 1 19 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.826 1.554 19355
1230 1 19 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.908 0.661 19355
1231 1 19 . 1 1 9 9 GLN H H 9 8.315 8.315 8.560 -0.245 19355
1232 1 19 . 1 1 10 10 LEU N N 10 110.452 110.452 119.226 -8.774 19355
1233 1 19 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.181 0.220 19355
1234 1 19 . 1 1 10 10 LEU C C 10 174.539 174.539 178.072 -3.533 19355
1235 1 19 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.399 -0.183 19355
1236 1 19 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.071 3.024 19355
1237 1 19 . 1 1 10 10 LEU H H 10 7.719 7.719 7.949 -0.230 19355
1238 1 19 . 1 1 11 11 VAL N N 11 111.103 111.103 117.281 -6.178 19355
1239 1 19 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.269 0.124 19355
1240 1 19 . 1 1 11 11 VAL C C 11 174.454 174.454 174.113 0.341 19355
1241 1 19 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.455 -1.317 19355
1242 1 19 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.628 1.379 19355
1243 1 19 . 1 1 11 11 VAL H H 11 7.717 7.717 7.595 0.122 19355
1244 1 19 . 1 1 12 12 GLY N N 12 115.582 115.582 110.717 4.865 19355
1245 1 19 . 1 1 12 12 GLY C C 12 174.551 174.551 173.861 0.690 19355
1246 1 19 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.121 -0.948 19355
1247 1 19 . 1 1 12 12 GLY H H 12 8.980 8.980 8.151 0.829 19355
1248 1 19 . 1 1 13 13 ARG N N 13 119.199 119.199 118.504 0.695 19355
1249 1 19 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.045 1.122 19355
1250 1 19 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.576 -2.229 19355
1251 1 19 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.395 5.800 19355
1252 1 19 . 1 1 13 13 ARG H H 13 7.082 7.082 8.317 -1.235 19355
1253 1 19 . 1 1 14 14 ARG C C 14 175.104 175.104 174.989 0.115 19355
1254 1 19 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.929 2.822 19355
1255 1 20 . 1 1 2 2 LEU N N 2 118.463 118.463 117.458 1.005 19355
1256 1 20 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.146 -0.618 19355
1257 1 20 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.706 -0.379 19355
1258 1 20 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.150 -3.099 19355
1259 1 20 . 1 1 2 2 LEU H H 2 8.393 8.393 8.296 0.097 19355
1260 1 20 . 1 1 3 3 ARG N N 3 116.545 116.545 120.466 -3.921 19355
1261 1 20 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.561 -0.085 19355
1262 1 20 . 1 1 3 3 ARG C C 3 173.577 173.577 177.032 -3.455 19355
1263 1 20 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.918 -2.422 19355
1264 1 20 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.437 -2.922 19355
1265 1 20 . 1 1 3 3 ARG H H 3 7.860 7.860 8.151 -0.291 19355
1266 1 20 . 1 1 4 4 ARG N N 4 114.271 114.271 119.661 -5.390 19355
1267 1 20 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.190 0.205 19355
1268 1 20 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.989 -0.024 19355
1269 1 20 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.070 4.352 19355
1270 1 20 . 1 1 4 4 ARG H H 4 7.140 7.140 8.001 -0.861 19355
1271 1 20 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.095 0.312 19355
1272 1 20 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.153 -3.394 19355
1273 1 20 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.383 4.507 19355
1274 1 20 . 1 1 6 6 PHE N N 6 114.237 114.237 114.182 0.055 19355
1275 1 20 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.499 -0.520 19355
1276 1 20 . 1 1 6 6 PHE C C 6 174.252 174.252 173.574 0.678 19355
1277 1 20 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.361 2.691 19355
1278 1 20 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.370 -4.593 19355
1279 1 20 . 1 1 6 6 PHE H H 6 8.414 8.414 7.552 0.862 19355
1280 1 20 . 1 1 7 7 ALA N N 7 123.916 123.916 123.719 0.197 19355
1281 1 20 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.393 -0.148 19355
1282 1 20 . 1 1 7 7 ALA C C 7 178.138 178.138 175.849 2.289 19355
1283 1 20 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.373 3.550 19355
1284 1 20 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.165 -0.629 19355
1285 1 20 . 1 1 7 7 ALA H H 7 8.647 8.647 7.272 1.375 19355
1286 1 20 . 1 1 8 8 ASN N N 8 118.947 118.947 121.808 -2.861 19355
1287 1 20 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.863 -0.218 19355
1288 1 20 . 1 1 8 8 ASN C C 8 174.376 174.376 176.376 -2.000 19355
1289 1 20 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.878 -0.824 19355
1290 1 20 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.344 0.168 19355
1291 1 20 . 1 1 8 8 ASN H H 8 6.983 6.983 8.694 -1.711 19355
1292 1 20 . 1 1 9 9 GLN N N 9 114.393 114.393 123.186 -8.793 19355
1293 1 20 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.117 -0.528 19355
1294 1 20 . 1 1 9 9 GLN C C 9 174.086 174.086 177.667 -3.581 19355
1295 1 20 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.991 1.389 19355
1296 1 20 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.847 0.722 19355
1297 1 20 . 1 1 9 9 GLN H H 9 8.315 8.315 8.614 -0.299 19355
1298 1 20 . 1 1 10 10 LEU N N 10 110.452 110.452 119.134 -8.682 19355
1299 1 20 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.180 0.221 19355
1300 1 20 . 1 1 10 10 LEU C C 10 174.539 174.539 178.028 -3.489 19355
1301 1 20 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.366 -0.150 19355
1302 1 20 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.109 2.986 19355
1303 1 20 . 1 1 10 10 LEU H H 10 7.719 7.719 7.939 -0.220 19355
1304 1 20 . 1 1 11 11 VAL N N 11 111.103 111.103 116.538 -5.435 19355
1305 1 20 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.231 0.162 19355
1306 1 20 . 1 1 11 11 VAL C C 11 174.454 174.454 174.145 0.309 19355
1307 1 20 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.723 -1.585 19355
1308 1 20 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.317 1.690 19355
1309 1 20 . 1 1 11 11 VAL H H 11 7.717 7.717 7.540 0.177 19355
1310 1 20 . 1 1 12 12 GLY N N 12 115.582 115.582 110.810 4.772 19355
1311 1 20 . 1 1 12 12 GLY C C 12 174.551 174.551 173.586 0.965 19355
1312 1 20 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.457 -1.284 19355
1313 1 20 . 1 1 12 12 GLY H H 12 8.980 8.980 8.188 0.792 19355
1314 1 20 . 1 1 13 13 ARG N N 13 119.199 119.199 118.474 0.725 19355
1315 1 20 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.058 1.109 19355
1316 1 20 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.664 -2.317 19355
1317 1 20 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.861 5.334 19355
1318 1 20 . 1 1 13 13 ARG H H 13 7.082 7.082 8.220 -1.138 19355
1319 1 20 . 1 1 14 14 ARG C C 14 175.104 175.104 174.564 0.540 19355
1320 1 20 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.239 2.511 19355
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 11 5.030 3.525 3.764 19355
2 1 1 "Average Difference" HA 13 0.578 -0.024 0.602 19355
3 1 1 "Average Difference" C 9 2.510 1.348 2.246 19355
4 1 1 "Average Difference" CA 12 2.140 0.741 2.097 19355
5 1 1 "Average Difference" CB 12 3.079 -1.327 2.902 19355
6 1 1 "Average Difference" HN 11 0.797 0.239 0.798 19355
7 1 2 "Average Difference" N 11 4.876 2.816 4.175 19355
8 1 2 "Average Difference" HA 13 0.557 -0.027 0.579 19355
9 1 2 "Average Difference" C 9 2.297 0.815 2.278 19355
10 1 2 "Average Difference" CA 12 2.145 0.428 2.195 19355
11 1 2 "Average Difference" CB 12 3.144 -0.760 3.186 19355
12 1 2 "Average Difference" HN 11 0.982 0.181 1.012 19355
13 1 3 "Average Difference" N 11 4.843 2.677 4.232 19355
14 1 3 "Average Difference" HA 13 0.559 -0.069 0.577 19355
15 1 3 "Average Difference" C 9 2.385 0.965 2.313 19355
16 1 3 "Average Difference" CA 12 2.253 0.417 2.313 19355
17 1 3 "Average Difference" CB 12 3.157 -0.867 3.171 19355
18 1 3 "Average Difference" HN 11 0.917 0.085 0.957 19355
19 1 4 "Average Difference" N 11 4.947 3.206 3.952 19355
20 1 4 "Average Difference" HA 13 0.569 -0.094 0.584 19355
21 1 4 "Average Difference" C 9 2.330 0.878 2.289 19355
22 1 4 "Average Difference" CA 12 2.065 0.423 2.111 19355
23 1 4 "Average Difference" CB 12 3.074 -1.214 2.949 19355
24 1 4 "Average Difference" HN 11 0.764 0.120 0.791 19355
25 1 5 "Average Difference" N 11 4.777 3.390 3.531 19355
26 1 5 "Average Difference" HA 13 0.557 -0.056 0.577 19355
27 1 5 "Average Difference" C 9 2.303 1.200 2.084 19355
28 1 5 "Average Difference" CA 12 2.097 0.800 2.024 19355
29 1 5 "Average Difference" CB 12 3.038 -1.288 2.874 19355
30 1 5 "Average Difference" HN 11 0.809 0.235 0.812 19355
31 1 6 "Average Difference" N 11 4.758 2.579 4.194 19355
32 1 6 "Average Difference" HA 13 0.554 -0.071 0.571 19355
33 1 6 "Average Difference" C 9 2.464 1.025 2.377 19355
34 1 6 "Average Difference" CA 12 2.131 0.481 2.168 19355
35 1 6 "Average Difference" CB 12 3.172 -0.749 3.219 19355
36 1 6 "Average Difference" HN 11 0.881 0.219 0.895 19355
37 1 7 "Average Difference" N 11 4.817 3.280 3.700 19355
38 1 7 "Average Difference" HA 13 0.563 -0.104 0.576 19355
39 1 7 "Average Difference" C 9 2.364 1.204 2.158 19355
40 1 7 "Average Difference" CA 12 1.881 0.731 1.811 19355
41 1 7 "Average Difference" CB 12 3.168 -1.177 3.072 19355
42 1 7 "Average Difference" HN 11 0.801 0.260 0.794 19355
43 1 8 "Average Difference" N 11 5.080 3.236 4.107 19355
44 1 8 "Average Difference" HA 13 0.526 -0.047 0.545 19355
45 1 8 "Average Difference" C 9 2.410 1.264 2.176 19355
46 1 8 "Average Difference" CA 12 1.623 0.426 1.636 19355
47 1 8 "Average Difference" CB 12 3.124 -1.127 3.043 19355
48 1 8 "Average Difference" HN 11 0.811 0.253 0.808 19355
49 1 9 "Average Difference" N 11 4.749 2.761 4.053 19355
50 1 9 "Average Difference" HA 13 0.566 -0.024 0.588 19355
51 1 9 "Average Difference" C 9 2.271 0.992 2.167 19355
52 1 9 "Average Difference" CA 12 2.130 0.565 2.145 19355
53 1 9 "Average Difference" CB 12 2.839 -1.021 2.766 19355
54 1 9 "Average Difference" HN 11 0.741 0.194 0.750 19355
55 1 10 "Average Difference" N 11 4.734 2.729 4.057 19355
56 1 10 "Average Difference" HA 13 0.560 -0.069 0.579 19355
57 1 10 "Average Difference" C 9 2.272 0.932 2.198 19355
58 1 10 "Average Difference" CA 12 2.177 0.568 2.195 19355
59 1 10 "Average Difference" CB 12 3.259 -1.042 3.226 19355
60 1 10 "Average Difference" HN 11 0.852 0.117 0.885 19355
61 1 11 "Average Difference" N 11 4.852 2.500 4.361 19355
62 1 11 "Average Difference" HA 13 0.573 -0.037 0.595 19355
63 1 11 "Average Difference" C 9 2.387 0.893 2.348 19355
64 1 11 "Average Difference" CA 12 2.085 0.455 2.126 19355
65 1 11 "Average Difference" CB 12 3.247 -1.106 3.189 19355
66 1 11 "Average Difference" HN 11 0.852 0.095 0.888 19355
67 1 12 "Average Difference" N 11 4.992 2.577 4.484 19355
68 1 12 "Average Difference" HA 13 0.588 -0.037 0.611 19355
69 1 12 "Average Difference" C 9 2.481 1.006 2.406 19355
70 1 12 "Average Difference" CA 12 2.017 0.362 2.072 19355
71 1 12 "Average Difference" CB 12 3.305 -0.902 3.321 19355
72 1 12 "Average Difference" HN 11 0.874 0.090 0.912 19355
73 1 13 "Average Difference" N 11 4.853 2.372 4.440 19355
74 1 13 "Average Difference" HA 13 0.602 -0.018 0.626 19355
75 1 13 "Average Difference" C 9 2.246 1.045 2.109 19355
76 1 13 "Average Difference" CA 12 2.017 0.395 2.066 19355
77 1 13 "Average Difference" CB 12 3.440 -0.832 3.486 19355
78 1 13 "Average Difference" HN 11 0.752 0.195 0.761 19355
79 1 14 "Average Difference" N 11 5.057 3.225 4.086 19355
80 1 14 "Average Difference" HA 13 0.577 -0.065 0.597 19355
81 1 14 "Average Difference" C 9 2.307 1.255 2.053 19355
82 1 14 "Average Difference" CA 12 1.946 0.610 1.930 19355
83 1 14 "Average Difference" CB 12 3.243 -1.344 3.083 19355
84 1 14 "Average Difference" HN 11 0.747 0.132 0.771 19355
85 1 15 "Average Difference" N 11 4.904 2.530 4.406 19355
86 1 15 "Average Difference" HA 13 0.593 -0.031 0.616 19355
87 1 15 "Average Difference" C 9 2.492 1.132 2.354 19355
88 1 15 "Average Difference" CA 12 2.047 0.449 2.086 19355
89 1 15 "Average Difference" CB 12 3.404 -0.900 3.429 19355
90 1 15 "Average Difference" HN 11 0.748 0.183 0.760 19355
91 1 16 "Average Difference" N 11 5.036 3.127 4.141 19355
92 1 16 "Average Difference" HA 13 0.599 -0.046 0.621 19355
93 1 16 "Average Difference" C 9 2.221 1.121 2.034 19355
94 1 16 "Average Difference" CA 12 1.872 0.418 1.906 19355
95 1 16 "Average Difference" CB 12 3.232 -1.235 3.120 19355
96 1 16 "Average Difference" HN 11 0.724 0.125 0.748 19355
97 1 17 "Average Difference" N 11 4.992 3.386 3.848 19355
98 1 17 "Average Difference" HA 13 0.609 -0.095 0.626 19355
99 1 17 "Average Difference" C 9 2.384 1.007 2.292 19355
100 1 17 "Average Difference" CA 12 2.010 0.468 2.041 19355
101 1 17 "Average Difference" CB 12 3.229 -1.181 3.139 19355
102 1 17 "Average Difference" HN 11 0.731 0.095 0.761 19355
103 1 18 "Average Difference" N 11 4.795 2.870 4.029 19355
104 1 18 "Average Difference" HA 13 0.556 -0.033 0.577 19355
105 1 18 "Average Difference" C 9 2.326 0.976 2.239 19355
106 1 18 "Average Difference" CA 12 2.068 0.439 2.110 19355
107 1 18 "Average Difference" CB 12 3.160 -0.925 3.156 19355
108 1 18 "Average Difference" HN 11 0.876 0.133 0.908 19355
109 1 19 "Average Difference" N 11 4.988 2.658 4.427 19355
110 1 19 "Average Difference" HA 13 0.579 -0.041 0.601 19355
111 1 19 "Average Difference" C 9 2.289 0.976 2.196 19355
112 1 19 "Average Difference" CA 12 2.007 0.318 2.070 19355
113 1 19 "Average Difference" CB 12 3.314 -0.927 3.324 19355
114 1 19 "Average Difference" HN 11 0.867 0.123 0.901 19355
115 1 20 "Average Difference" N 11 4.854 2.575 4.316 19355
116 1 20 "Average Difference" HA 13 0.575 -0.038 0.597 19355
117 1 20 "Average Difference" C 9 2.308 0.860 2.272 19355
118 1 20 "Average Difference" CA 12 2.032 0.396 2.081 19355
119 1 20 "Average Difference" CB 12 3.240 -0.919 3.245 19355
120 1 20 "Average Difference" HN 11 0.879 0.111 0.914 19355
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 19355
_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 LEU N N 2 118.463 118.463 118.713 -0.250 19355
2 1 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.977 -0.449 19355
3 1 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.954 -0.626 19355
4 1 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.211 -2.160 19355
5 1 . 1 1 2 2 LEU H H 2 8.393 8.393 8.189 0.204 19355
6 1 . 1 1 3 3 ARG N N 3 116.545 116.545 120.478 -3.933 19355
7 1 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.463 0.013 19355
8 1 . 1 1 3 3 ARG C C 3 173.577 173.577 177.596 -4.019 19355
9 1 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.456 -2.960 19355
10 1 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.471 -2.956 19355
11 1 . 1 1 3 3 ARG H H 3 7.860 7.860 8.273 -0.412 19355
12 1 . 1 1 4 4 ARG N N 4 114.271 114.271 119.273 -5.002 19355
13 1 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.202 0.193 19355
14 1 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.051 -0.086 19355
15 1 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.160 4.262 19355
16 1 . 1 1 4 4 ARG H H 4 7.140 7.140 8.038 -0.898 19355
17 1 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.090 0.317 19355
18 1 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.137 -3.378 19355
19 1 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.473 4.417 19355
20 1 . 1 1 6 6 PHE N N 6 114.237 114.237 114.560 -0.323 19355
21 1 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.486 -0.507 19355
22 1 . 1 1 6 6 PHE C C 6 174.252 174.252 173.612 0.640 19355
23 1 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.336 2.716 19355
24 1 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.122 -4.345 19355
25 1 . 1 1 6 6 PHE H H 6 8.414 8.414 7.574 0.840 19355
26 1 . 1 1 7 7 ALA N N 7 123.916 123.916 125.359 -1.443 19355
27 1 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.602 -0.357 19355
28 1 . 1 1 7 7 ALA C C 7 178.138 178.138 176.356 1.782 19355
29 1 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.033 2.889 19355
30 1 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.512 0.024 19355
31 1 . 1 1 7 7 ALA H H 7 8.647 8.647 7.857 0.790 19355
32 1 . 1 1 8 8 ASN N N 8 118.947 118.947 121.005 -2.058 19355
33 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.810 -0.165 19355
34 1 . 1 1 8 8 ASN C C 8 174.376 174.376 176.146 -1.770 19355
35 1 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.677 -0.623 19355
36 1 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.604 -0.092 19355
37 1 . 1 1 8 8 ASN H H 8 6.983 6.983 8.608 -1.625 19355
38 1 . 1 1 9 9 GLN N N 9 114.393 114.393 123.007 -8.614 19355
39 1 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.097 -0.508 19355
40 1 . 1 1 9 9 GLN C C 9 174.086 174.086 177.660 -3.574 19355
41 1 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.967 1.413 19355
42 1 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355
43 1 . 1 1 9 9 GLN H H 9 8.315 8.315 8.591 -0.276 19355
44 1 . 1 1 10 10 LEU N N 10 110.452 110.452 119.176 -8.724 19355
45 1 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.176 0.225 19355
46 1 . 1 1 10 10 LEU C C 10 174.539 174.539 178.033 -3.494 19355
47 1 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.390 -0.173 19355
48 1 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.078 3.018 19355
49 1 . 1 1 10 10 LEU H H 10 7.719 7.719 7.925 -0.206 19355
50 1 . 1 1 11 11 VAL N N 11 111.103 111.103 116.926 -5.823 19355
51 1 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.242 0.151 19355
52 1 . 1 1 11 11 VAL C C 11 174.454 174.454 174.144 0.310 19355
53 1 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.648 -1.510 19355
54 1 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.444 1.563 19355
55 1 . 1 1 11 11 VAL H H 11 7.717 7.717 7.562 0.155 19355
56 1 . 1 1 12 12 GLY N N 12 115.582 115.582 111.114 4.468 19355
57 1 . 1 1 12 12 GLY C C 12 174.551 174.551 173.698 0.853 19355
58 1 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.458 -1.285 19355
59 1 . 1 1 12 12 GLY H H 12 8.980 8.980 8.169 0.811 19355
60 1 . 1 1 13 13 ARG N N 13 119.199 119.199 119.406 -0.207 19355
61 1 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.082 1.085 19355
62 1 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.656 -2.309 19355
63 1 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.571 5.624 19355
64 1 . 1 1 13 13 ARG H H 13 7.082 7.082 8.216 -1.134 19355
65 1 . 1 1 14 14 ARG C C 14 175.104 175.104 175.234 -0.130 19355
66 1 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.329 2.422 19355
stop_
save_