data_19883
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19883
_Entry.PDB_ID 2MN9
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 19883
_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 HA H 2 4.035 4.035 4.704 -0.669 19883
2 1 1 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.111 2.630 19883
3 1 1 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.113 0.441 19883
4 1 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.220 0.169 19883
5 1 1 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.155 0.061 19883
6 1 1 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.351 -0.101 19883
7 1 1 . 1 1 3 3 PHE H H 3 8.090 8.090 8.578 -0.488 19883
8 1 1 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.776 1.017 19883
9 1 1 . 1 1 4 4 GLY H H 4 8.070 8.070 7.893 0.177 19883
10 1 1 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.945 -0.141 19883
11 1 1 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.711 1.005 19883
12 1 1 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.156 -0.097 19883
13 1 1 . 1 1 5 5 VAL H H 5 7.761 7.761 7.643 0.118 19883
14 1 1 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.010 0.043 19883
15 1 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.925 -3.272 19883
16 1 1 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.998 -0.755 19883
17 1 1 . 1 1 6 6 LEU H H 6 7.942 7.942 8.746 -0.804 19883
18 1 1 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.891 0.211 19883
19 1 1 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.152 -0.854 19883
20 1 1 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.061 0.351 19883
21 1 1 . 1 1 7 7 ALA H H 7 7.830 7.830 7.699 0.131 19883
22 1 1 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.083 0.099 19883
23 1 1 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.239 -1.316 19883
24 1 1 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.259 0.567 19883
25 1 1 . 1 1 8 8 LYS H H 8 7.600 7.600 7.973 -0.373 19883
26 1 1 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.844 0.147 19883
27 1 1 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.004 -0.601 19883
28 1 1 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.268 0.976 19883
29 1 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.614 0.006 19883
30 1 1 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.184 0.036 19883
31 1 1 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.149 -0.949 19883
32 1 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.425 0.567 19883
33 1 1 . 1 1 10 10 ALA H H 10 8.085 8.085 7.342 0.743 19883
34 1 1 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.314 -0.055 19883
35 1 1 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.336 2.130 19883
36 1 1 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.374 0.158 19883
37 1 1 . 1 1 11 11 ALA H H 11 7.386 7.386 7.832 -0.446 19883
38 1 1 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.675 0.907 19883
39 1 1 . 1 1 15 15 GLY H H 15 8.506 8.506 8.288 0.218 19883
40 1 1 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.140 0.126 19883
41 1 1 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.424 0.044 19883
42 1 1 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.666 0.398 19883
43 1 1 . 1 1 16 16 ALA H H 16 7.936 7.936 8.363 -0.427 19883
44 1 1 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.792 0.030 19883
45 1 1 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.145 0.656 19883
46 1 1 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.650 -0.088 19883
47 1 1 . 1 1 17 17 ILE H H 17 7.934 7.934 8.108 -0.174 19883
48 1 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.218 -0.129 19883
49 1 1 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.991 0.155 19883
50 1 1 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.132 0.215 19883
51 1 1 . 1 1 18 18 ALA H H 18 8.147 8.147 7.592 0.555 19883
52 1 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.135 -0.087 19883
53 1 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.605 -0.239 19883
54 1 1 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.730 -0.062 19883
55 1 1 . 1 1 19 19 GLU H H 19 7.911 7.911 7.928 -0.017 19883
56 1 1 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.367 -0.088 19883
57 1 1 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.673 0.279 19883
58 1 1 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.328 -1.361 19883
59 1 1 . 1 1 20 20 HIS H H 20 7.811 7.811 7.546 0.265 19883
60 1 2 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.542 -0.507 19883
61 1 2 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.505 2.236 19883
62 1 2 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.316 0.238 19883
63 1 2 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.225 0.164 19883
64 1 2 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.111 0.105 19883
65 1 2 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.355 -0.105 19883
66 1 2 . 1 1 3 3 PHE H H 3 8.090 8.090 8.574 -0.484 19883
67 1 2 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.775 1.018 19883
68 1 2 . 1 1 4 4 GLY H H 4 8.070 8.070 7.836 0.234 19883
69 1 2 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.079 -0.275 19883
70 1 2 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.403 1.313 19883
71 1 2 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.955 0.104 19883
72 1 2 . 1 1 5 5 VAL H H 5 7.761 7.761 7.651 0.110 19883
73 1 2 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.958 0.095 19883
74 1 2 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.250 -3.597 19883
75 1 2 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.869 -0.625 19883
76 1 2 . 1 1 6 6 LEU H H 6 7.942 7.942 8.569 -0.627 19883
77 1 2 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.042 0.060 19883
78 1 2 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.840 -0.542 19883
79 1 2 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.142 0.270 19883
80 1 2 . 1 1 7 7 ALA H H 7 7.830 7.830 7.712 0.118 19883
81 1 2 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.087 0.096 19883
82 1 2 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.993 -1.070 19883
83 1 2 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.226 0.600 19883
84 1 2 . 1 1 8 8 LYS H H 8 7.600 7.600 7.868 -0.268 19883
85 1 2 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.762 0.229 19883
86 1 2 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.646 -1.243 19883
87 1 2 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.525 0.719 19883
88 1 2 . 1 1 9 9 VAL H H 9 7.620 7.620 7.429 0.191 19883
89 1 2 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.197 0.023 19883
90 1 2 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.523 -0.323 19883
91 1 2 . 1 1 10 10 ALA CB C 10 18.992 18.992 19.055 -0.063 19883
92 1 2 . 1 1 10 10 ALA H H 10 8.085 8.085 7.712 0.373 19883
93 1 2 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.298 -0.039 19883
94 1 2 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.374 2.092 19883
95 1 2 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.318 0.214 19883
96 1 2 . 1 1 11 11 ALA H H 11 7.386 7.386 7.754 -0.368 19883
97 1 2 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.852 0.730 19883
98 1 2 . 1 1 15 15 GLY H H 15 8.506 8.506 8.379 0.127 19883
99 1 2 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.126 0.140 19883
100 1 2 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.608 -0.140 19883
101 1 2 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.698 0.366 19883
102 1 2 . 1 1 16 16 ALA H H 16 7.936 7.936 8.343 -0.407 19883
103 1 2 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.790 0.032 19883
104 1 2 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.246 0.555 19883
105 1 2 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.656 -0.094 19883
106 1 2 . 1 1 17 17 ILE H H 17 7.934 7.934 8.087 -0.153 19883
107 1 2 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.178 -0.089 19883
108 1 2 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.798 0.348 19883
109 1 2 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.384 -0.037 19883
110 1 2 . 1 1 18 18 ALA H H 18 8.147 8.147 7.606 0.541 19883
111 1 2 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.162 -0.114 19883
112 1 2 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.820 0.546 19883
113 1 2 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.894 -0.226 19883
114 1 2 . 1 1 19 19 GLU H H 19 7.911 7.911 8.039 -0.128 19883
115 1 2 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.426 -0.147 19883
116 1 2 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.055 -0.102 19883
117 1 2 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.765 -1.797 19883
118 1 2 . 1 1 20 20 HIS H H 20 7.811 7.811 7.589 0.222 19883
119 1 3 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.764 -0.729 19883
120 1 3 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.060 2.681 19883
121 1 3 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.305 0.249 19883
122 1 3 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883
123 1 3 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.066 0.150 19883
124 1 3 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.358 -0.108 19883
125 1 3 . 1 1 3 3 PHE H H 3 8.090 8.090 8.558 -0.468 19883
126 1 3 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.630 1.163 19883
127 1 3 . 1 1 4 4 GLY H H 4 8.070 8.070 8.063 0.007 19883
128 1 3 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.084 -0.280 19883
129 1 3 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.101 2.615 19883
130 1 3 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.837 0.221 19883
131 1 3 . 1 1 5 5 VAL H H 5 7.761 7.761 7.593 0.168 19883
132 1 3 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.975 0.078 19883
133 1 3 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.308 -3.655 19883
134 1 3 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.729 -0.485 19883
135 1 3 . 1 1 6 6 LEU H H 6 7.942 7.942 8.730 -0.788 19883
136 1 3 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.010 0.092 19883
137 1 3 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.841 -0.543 19883
138 1 3 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.203 0.209 19883
139 1 3 . 1 1 7 7 ALA H H 7 7.830 7.830 7.944 -0.114 19883
140 1 3 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.187 -0.005 19883
141 1 3 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.725 -0.802 19883
142 1 3 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.700 0.126 19883
143 1 3 . 1 1 8 8 LYS H H 8 7.600 7.600 7.486 0.114 19883
144 1 3 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.767 0.224 19883
145 1 3 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.851 -1.448 19883
146 1 3 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.640 0.604 19883
147 1 3 . 1 1 9 9 VAL H H 9 7.620 7.620 7.462 0.158 19883
148 1 3 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.154 0.066 19883
149 1 3 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.762 -0.562 19883
150 1 3 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.918 0.074 19883
151 1 3 . 1 1 10 10 ALA H H 10 8.085 8.085 7.811 0.274 19883
152 1 3 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.369 -0.110 19883
153 1 3 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.163 2.303 19883
154 1 3 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.500 0.032 19883
155 1 3 . 1 1 11 11 ALA H H 11 7.386 7.386 7.958 -0.572 19883
156 1 3 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.560 1.022 19883
157 1 3 . 1 1 15 15 GLY H H 15 8.506 8.506 8.424 0.082 19883
158 1 3 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.041 0.225 19883
159 1 3 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.772 -0.304 19883
160 1 3 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.646 0.418 19883
161 1 3 . 1 1 16 16 ALA H H 16 7.936 7.936 8.410 -0.474 19883
162 1 3 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.710 0.112 19883
163 1 3 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.420 0.381 19883
164 1 3 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.666 -0.104 19883
165 1 3 . 1 1 17 17 ILE H H 17 7.934 7.934 8.186 -0.252 19883
166 1 3 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.380 -0.291 19883
167 1 3 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.484 0.661 19883
168 1 3 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.353 -0.006 19883
169 1 3 . 1 1 18 18 ALA H H 18 8.147 8.147 7.447 0.700 19883
170 1 3 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.154 -0.106 19883
171 1 3 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.139 0.227 19883
172 1 3 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.842 -0.174 19883
173 1 3 . 1 1 19 19 GLU H H 19 7.911 7.911 8.202 -0.291 19883
174 1 3 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.281 -0.002 19883
175 1 3 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.163 -0.210 19883
176 1 3 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.070 -1.102 19883
177 1 3 . 1 1 20 20 HIS H H 20 7.811 7.811 7.682 0.129 19883
178 1 4 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.673 -0.638 19883
179 1 4 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.260 2.481 19883
180 1 4 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.196 0.359 19883
181 1 4 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883
182 1 4 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.156 0.060 19883
183 1 4 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.356 -0.106 19883
184 1 4 . 1 1 3 3 PHE H H 3 8.090 8.090 8.539 -0.449 19883
185 1 4 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.887 0.906 19883
186 1 4 . 1 1 4 4 GLY H H 4 8.070 8.070 7.829 0.241 19883
187 1 4 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.953 -0.149 19883
188 1 4 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.493 1.223 19883
189 1 4 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.216 -0.157 19883
190 1 4 . 1 1 5 5 VAL H H 5 7.761 7.761 7.688 0.073 19883
191 1 4 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.287 -0.234 19883
192 1 4 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.584 -1.931 19883
193 1 4 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.400 -1.156 19883
194 1 4 . 1 1 6 6 LEU H H 6 7.942 7.942 8.356 -0.414 19883
195 1 4 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.208 -0.106 19883
196 1 4 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.593 -0.295 19883
197 1 4 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.703 -0.291 19883
198 1 4 . 1 1 7 7 ALA H H 7 7.830 7.830 7.786 0.044 19883
199 1 4 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.065 0.117 19883
200 1 4 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.754 -0.831 19883
201 1 4 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.589 1.237 19883
202 1 4 . 1 1 8 8 LYS H H 8 7.600 7.600 7.675 -0.075 19883
203 1 4 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.743 0.248 19883
204 1 4 . 1 1 9 9 VAL CA C 9 64.403 64.403 66.038 -1.635 19883
205 1 4 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.417 0.827 19883
206 1 4 . 1 1 9 9 VAL H H 9 7.620 7.620 7.873 -0.253 19883
207 1 4 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.120 0.100 19883
208 1 4 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.387 -1.187 19883
209 1 4 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.241 0.750 19883
210 1 4 . 1 1 10 10 ALA H H 10 8.085 8.085 7.976 0.109 19883
211 1 4 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.299 -0.040 19883
212 1 4 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.317 2.149 19883
213 1 4 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.468 0.063 19883
214 1 4 . 1 1 11 11 ALA H H 11 7.386 7.386 7.730 -0.344 19883
215 1 4 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.848 0.734 19883
216 1 4 . 1 1 15 15 GLY H H 15 8.506 8.506 8.374 0.132 19883
217 1 4 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.980 0.286 19883
218 1 4 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.463 0.005 19883
219 1 4 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.605 0.459 19883
220 1 4 . 1 1 16 16 ALA H H 16 7.936 7.936 8.306 -0.370 19883
221 1 4 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.911 -0.089 19883
222 1 4 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.424 0.378 19883
223 1 4 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.744 -0.182 19883
224 1 4 . 1 1 17 17 ILE H H 17 7.934 7.934 8.074 -0.140 19883
225 1 4 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.250 -0.161 19883
226 1 4 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.701 0.445 19883
227 1 4 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.456 -0.109 19883
228 1 4 . 1 1 18 18 ALA H H 18 8.147 8.147 7.608 0.539 19883
229 1 4 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.112 -0.064 19883
230 1 4 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.059 0.307 19883
231 1 4 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.795 -0.127 19883
232 1 4 . 1 1 19 19 GLU H H 19 7.911 7.911 7.990 -0.079 19883
233 1 4 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.314 -0.035 19883
234 1 4 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.316 -0.363 19883
235 1 4 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.298 -1.330 19883
236 1 4 . 1 1 20 20 HIS H H 20 7.811 7.811 7.478 0.333 19883
237 1 5 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.706 -0.671 19883
238 1 5 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.277 2.464 19883
239 1 5 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.305 0.249 19883
240 1 5 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883
241 1 5 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.035 0.181 19883
242 1 5 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.369 -0.119 19883
243 1 5 . 1 1 3 3 PHE H H 3 8.090 8.090 8.567 -0.477 19883
244 1 5 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.618 1.175 19883
245 1 5 . 1 1 4 4 GLY H H 4 8.070 8.070 7.924 0.146 19883
246 1 5 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.056 -0.252 19883
247 1 5 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.196 1.520 19883
248 1 5 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.871 0.188 19883
249 1 5 . 1 1 5 5 VAL H H 5 7.761 7.761 7.641 0.120 19883
250 1 5 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.983 0.070 19883
251 1 5 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.847 -3.194 19883
252 1 5 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.767 -0.523 19883
253 1 5 . 1 1 6 6 LEU H H 6 7.942 7.942 8.660 -0.718 19883
254 1 5 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.063 0.039 19883
255 1 5 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.789 -0.491 19883
256 1 5 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.130 0.283 19883
257 1 5 . 1 1 7 7 ALA H H 7 7.830 7.830 7.989 -0.159 19883
258 1 5 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.107 0.075 19883
259 1 5 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.805 -0.882 19883
260 1 5 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.174 0.652 19883
261 1 5 . 1 1 8 8 LYS H H 8 7.600 7.600 7.644 -0.044 19883
262 1 5 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.763 0.228 19883
263 1 5 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.360 -0.957 19883
264 1 5 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.366 0.878 19883
265 1 5 . 1 1 9 9 VAL H H 9 7.620 7.620 7.394 0.226 19883
266 1 5 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.213 0.007 19883
267 1 5 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.847 -0.647 19883
268 1 5 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.373 0.619 19883
269 1 5 . 1 1 10 10 ALA H H 10 8.085 8.085 7.680 0.405 19883
270 1 5 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.224 0.035 19883
271 1 5 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.549 1.917 19883
272 1 5 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.178 0.354 19883
273 1 5 . 1 1 11 11 ALA H H 11 7.386 7.386 7.746 -0.360 19883
274 1 5 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.732 -0.150 19883
275 1 5 . 1 1 15 15 GLY H H 15 8.506 8.506 8.452 0.054 19883
276 1 5 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.068 0.198 19883
277 1 5 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.805 -0.337 19883
278 1 5 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.516 0.548 19883
279 1 5 . 1 1 16 16 ALA H H 16 7.936 7.936 8.204 -0.268 19883
280 1 5 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.828 -0.006 19883
281 1 5 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.462 0.339 19883
282 1 5 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.811 -0.249 19883
283 1 5 . 1 1 17 17 ILE H H 17 7.934 7.934 7.615 0.319 19883
284 1 5 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.173 -0.084 19883
285 1 5 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.921 0.225 19883
286 1 5 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.208 0.139 19883
287 1 5 . 1 1 18 18 ALA H H 18 8.147 8.147 7.912 0.235 19883
288 1 5 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.090 -0.042 19883
289 1 5 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.947 0.419 19883
290 1 5 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.985 -0.317 19883
291 1 5 . 1 1 19 19 GLU H H 19 7.911 7.911 8.019 -0.108 19883
292 1 5 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.515 -0.236 19883
293 1 5 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.062 0.891 19883
294 1 5 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.980 -2.012 19883
295 1 5 . 1 1 20 20 HIS H H 20 7.811 7.811 7.660 0.151 19883
296 1 6 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.668 -0.633 19883
297 1 6 . 1 1 2 2 LEU CA C 2 57.741 57.741 54.881 2.860 19883
298 1 6 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.121 0.433 19883
299 1 6 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.214 0.175 19883
300 1 6 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.943 0.273 19883
301 1 6 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.365 -0.115 19883
302 1 6 . 1 1 3 3 PHE H H 3 8.090 8.090 8.552 -0.462 19883
303 1 6 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.432 1.361 19883
304 1 6 . 1 1 4 4 GLY H H 4 8.070 8.070 8.031 0.039 19883
305 1 6 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.107 -0.303 19883
306 1 6 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.599 1.117 19883
307 1 6 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.117 -0.058 19883
308 1 6 . 1 1 5 5 VAL H H 5 7.761 7.761 7.628 0.133 19883
309 1 6 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.051 0.002 19883
310 1 6 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.516 -2.863 19883
311 1 6 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.651 -0.407 19883
312 1 6 . 1 1 6 6 LEU H H 6 7.942 7.942 8.639 -0.697 19883
313 1 6 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.048 0.054 19883
314 1 6 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.660 -0.362 19883
315 1 6 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.182 0.230 19883
316 1 6 . 1 1 7 7 ALA H H 7 7.830 7.830 7.964 -0.134 19883
317 1 6 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.124 0.058 19883
318 1 6 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.922 -1.000 19883
319 1 6 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.456 0.370 19883
320 1 6 . 1 1 8 8 LYS H H 8 7.600 7.600 7.488 0.112 19883
321 1 6 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.819 0.172 19883
322 1 6 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.135 -0.732 19883
323 1 6 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.189 1.055 19883
324 1 6 . 1 1 9 9 VAL H H 9 7.620 7.620 7.360 0.260 19883
325 1 6 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.201 0.019 19883
326 1 6 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.060 -0.860 19883
327 1 6 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.303 0.689 19883
328 1 6 . 1 1 10 10 ALA H H 10 8.085 8.085 7.598 0.487 19883
329 1 6 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.229 0.030 19883
330 1 6 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.592 1.874 19883
331 1 6 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.920 0.612 19883
332 1 6 . 1 1 11 11 ALA H H 11 7.386 7.386 7.828 -0.442 19883
333 1 6 . 1 1 15 15 GLY CA C 15 46.582 46.582 47.213 -0.631 19883
334 1 6 . 1 1 15 15 GLY H H 15 8.506 8.506 8.390 0.116 19883
335 1 6 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.049 0.217 19883
336 1 6 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.308 0.160 19883
337 1 6 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.909 0.155 19883
338 1 6 . 1 1 16 16 ALA H H 16 7.936 7.936 8.228 -0.292 19883
339 1 6 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.705 0.117 19883
340 1 6 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.332 0.469 19883
341 1 6 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.700 -0.138 19883
342 1 6 . 1 1 17 17 ILE H H 17 7.934 7.934 8.036 -0.102 19883
343 1 6 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.222 -0.133 19883
344 1 6 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.736 0.410 19883
345 1 6 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.198 0.149 19883
346 1 6 . 1 1 18 18 ALA H H 18 8.147 8.147 7.655 0.492 19883
347 1 6 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.090 -0.042 19883
348 1 6 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.578 -0.212 19883
349 1 6 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.890 -0.223 19883
350 1 6 . 1 1 19 19 GLU H H 19 7.911 7.911 8.170 -0.259 19883
351 1 6 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.501 -0.222 19883
352 1 6 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.541 0.412 19883
353 1 6 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.771 -1.803 19883
354 1 6 . 1 1 20 20 HIS H H 20 7.811 7.811 7.658 0.153 19883
355 1 7 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.584 -0.549 19883
356 1 7 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.004 2.737 19883
357 1 7 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.190 0.364 19883
358 1 7 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.211 0.178 19883
359 1 7 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.051 0.165 19883
360 1 7 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.365 -0.115 19883
361 1 7 . 1 1 3 3 PHE H H 3 8.090 8.090 8.530 -0.440 19883
362 1 7 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.710 1.083 19883
363 1 7 . 1 1 4 4 GLY H H 4 8.070 8.070 7.945 0.125 19883
364 1 7 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.120 -0.316 19883
365 1 7 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.864 1.852 19883
366 1 7 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.140 -0.081 19883
367 1 7 . 1 1 5 5 VAL H H 5 7.761 7.761 7.602 0.159 19883
368 1 7 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.110 -0.057 19883
369 1 7 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.105 -2.452 19883
370 1 7 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.488 -0.244 19883
371 1 7 . 1 1 6 6 LEU H H 6 7.942 7.942 8.549 -0.607 19883
372 1 7 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.943 0.159 19883
373 1 7 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.047 -0.749 19883
374 1 7 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.147 0.265 19883
375 1 7 . 1 1 7 7 ALA H H 7 7.830 7.830 7.895 -0.065 19883
376 1 7 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.122 0.060 19883
377 1 7 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.903 -0.980 19883
378 1 7 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.244 0.582 19883
379 1 7 . 1 1 8 8 LYS H H 8 7.600 7.600 8.151 -0.551 19883
380 1 7 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.727 0.264 19883
381 1 7 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.373 -0.970 19883
382 1 7 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.523 0.722 19883
383 1 7 . 1 1 9 9 VAL H H 9 7.620 7.620 7.395 0.225 19883
384 1 7 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.136 0.084 19883
385 1 7 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.175 -0.974 19883
386 1 7 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.405 0.587 19883
387 1 7 . 1 1 10 10 ALA H H 10 8.085 8.085 7.716 0.369 19883
388 1 7 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.313 -0.054 19883
389 1 7 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.246 2.220 19883
390 1 7 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.456 0.076 19883
391 1 7 . 1 1 11 11 ALA H H 11 7.386 7.386 7.745 -0.359 19883
392 1 7 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.590 -0.008 19883
393 1 7 . 1 1 15 15 GLY H H 15 8.506 8.506 8.428 0.078 19883
394 1 7 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.093 0.173 19883
395 1 7 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.717 -0.249 19883
396 1 7 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.644 0.420 19883
397 1 7 . 1 1 16 16 ALA H H 16 7.936 7.936 8.234 -0.298 19883
398 1 7 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.735 0.087 19883
399 1 7 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.295 0.506 19883
400 1 7 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.748 -0.186 19883
401 1 7 . 1 1 17 17 ILE H H 17 7.934 7.934 8.070 -0.136 19883
402 1 7 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.161 -0.072 19883
403 1 7 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.005 0.141 19883
404 1 7 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.180 0.167 19883
405 1 7 . 1 1 18 18 ALA H H 18 8.147 8.147 7.836 0.311 19883
406 1 7 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.133 -0.085 19883
407 1 7 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.970 0.396 19883
408 1 7 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.088 -0.420 19883
409 1 7 . 1 1 19 19 GLU H H 19 7.911 7.911 7.912 -0.001 19883
410 1 7 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.516 -0.237 19883
411 1 7 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.251 0.702 19883
412 1 7 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.205 -2.237 19883
413 1 7 . 1 1 20 20 HIS H H 20 7.811 7.811 7.782 0.029 19883
414 1 8 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.638 -0.603 19883
415 1 8 . 1 1 2 2 LEU CA C 2 57.741 57.741 54.913 2.828 19883
416 1 8 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.192 0.362 19883
417 1 8 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.210 0.179 19883
418 1 8 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.979 0.237 19883
419 1 8 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.375 -0.125 19883
420 1 8 . 1 1 3 3 PHE H H 3 8.090 8.090 8.515 -0.425 19883
421 1 8 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.674 1.119 19883
422 1 8 . 1 1 4 4 GLY H H 4 8.070 8.070 8.095 -0.025 19883
423 1 8 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.126 -0.322 19883
424 1 8 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.600 2.116 19883
425 1 8 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.218 -0.160 19883
426 1 8 . 1 1 5 5 VAL H H 5 7.761 7.761 7.575 0.186 19883
427 1 8 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.969 0.084 19883
428 1 8 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.426 -3.773 19883
429 1 8 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.801 -0.557 19883
430 1 8 . 1 1 6 6 LEU H H 6 7.942 7.942 8.605 -0.663 19883
431 1 8 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.023 0.079 19883
432 1 8 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.926 -0.628 19883
433 1 8 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.168 0.244 19883
434 1 8 . 1 1 7 7 ALA H H 7 7.830 7.830 8.125 -0.295 19883
435 1 8 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.146 0.036 19883
436 1 8 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.578 -0.654 19883
437 1 8 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.283 0.543 19883
438 1 8 . 1 1 8 8 LYS H H 8 7.600 7.600 7.567 0.033 19883
439 1 8 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.962 0.029 19883
440 1 8 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.896 -0.493 19883
441 1 8 . 1 1 9 9 VAL CB C 9 32.244 32.244 32.109 0.135 19883
442 1 8 . 1 1 9 9 VAL H H 9 7.620 7.620 7.440 0.180 19883
443 1 8 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.079 0.141 19883
444 1 8 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.073 -0.873 19883
445 1 8 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.577 0.415 19883
446 1 8 . 1 1 10 10 ALA H H 10 8.085 8.085 7.471 0.614 19883
447 1 8 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.242 0.017 19883
448 1 8 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.905 1.561 19883
449 1 8 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.007 0.525 19883
450 1 8 . 1 1 11 11 ALA H H 11 7.386 7.386 7.965 -0.579 19883
451 1 8 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.635 0.947 19883
452 1 8 . 1 1 15 15 GLY H H 15 8.506 8.506 8.262 0.244 19883
453 1 8 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.108 0.158 19883
454 1 8 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.619 -0.151 19883
455 1 8 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.657 0.407 19883
456 1 8 . 1 1 16 16 ALA H H 16 7.936 7.936 8.379 -0.443 19883
457 1 8 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.766 0.056 19883
458 1 8 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.343 0.458 19883
459 1 8 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.621 -0.059 19883
460 1 8 . 1 1 17 17 ILE H H 17 7.934 7.934 8.212 -0.278 19883
461 1 8 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.324 -0.235 19883
462 1 8 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.476 0.670 19883
463 1 8 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.550 -0.203 19883
464 1 8 . 1 1 18 18 ALA H H 18 8.147 8.147 7.637 0.510 19883
465 1 8 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.149 -0.101 19883
466 1 8 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.675 0.691 19883
467 1 8 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.830 -0.162 19883
468 1 8 . 1 1 19 19 GLU H H 19 7.911 7.911 8.130 -0.219 19883
469 1 8 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.386 -0.107 19883
470 1 8 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.188 -0.235 19883
471 1 8 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.677 -1.709 19883
472 1 8 . 1 1 20 20 HIS H H 20 7.811 7.811 7.662 0.149 19883
473 1 9 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.493 -0.458 19883
474 1 9 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.645 2.096 19883
475 1 9 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.272 0.282 19883
476 1 9 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.207 0.182 19883
477 1 9 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.046 0.170 19883
478 1 9 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.345 -0.095 19883
479 1 9 . 1 1 3 3 PHE H H 3 8.090 8.090 8.493 -0.403 19883
480 1 9 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.648 1.145 19883
481 1 9 . 1 1 4 4 GLY H H 4 8.070 8.070 7.743 0.327 19883
482 1 9 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.046 -0.242 19883
483 1 9 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.891 1.825 19883
484 1 9 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.338 -0.279 19883
485 1 9 . 1 1 5 5 VAL H H 5 7.761 7.761 7.520 0.241 19883
486 1 9 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.006 0.047 19883
487 1 9 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.590 -2.938 19883
488 1 9 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.844 -0.600 19883
489 1 9 . 1 1 6 6 LEU H H 6 7.942 7.942 8.611 -0.669 19883
490 1 9 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.028 0.074 19883
491 1 9 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.693 -0.395 19883
492 1 9 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.185 0.227 19883
493 1 9 . 1 1 7 7 ALA H H 7 7.830 7.830 7.944 -0.114 19883
494 1 9 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.223 -0.041 19883
495 1 9 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.012 -0.089 19883
496 1 9 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.618 0.208 19883
497 1 9 . 1 1 8 8 LYS H H 8 7.600 7.600 7.519 0.081 19883
498 1 9 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.733 0.258 19883
499 1 9 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.735 -1.332 19883
500 1 9 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.393 0.851 19883
501 1 9 . 1 1 9 9 VAL H H 9 7.620 7.620 7.681 -0.061 19883
502 1 9 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.062 0.158 19883
503 1 9 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.856 -0.656 19883
504 1 9 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.347 0.645 19883
505 1 9 . 1 1 10 10 ALA H H 10 8.085 8.085 7.623 0.462 19883
506 1 9 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.254 0.005 19883
507 1 9 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.818 1.648 19883
508 1 9 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.361 0.171 19883
509 1 9 . 1 1 11 11 ALA H H 11 7.386 7.386 7.491 -0.105 19883
510 1 9 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.461 1.121 19883
511 1 9 . 1 1 15 15 GLY H H 15 8.506 8.506 8.249 0.257 19883
512 1 9 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.980 0.286 19883
513 1 9 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.300 0.168 19883
514 1 9 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.521 0.543 19883
515 1 9 . 1 1 16 16 ALA H H 16 7.936 7.936 8.320 -0.384 19883
516 1 9 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.828 -0.006 19883
517 1 9 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.251 0.550 19883
518 1 9 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.695 -0.133 19883
519 1 9 . 1 1 17 17 ILE H H 17 7.934 7.934 8.064 -0.130 19883
520 1 9 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.214 -0.125 19883
521 1 9 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.716 0.430 19883
522 1 9 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.083 0.264 19883
523 1 9 . 1 1 18 18 ALA H H 18 8.147 8.147 7.613 0.534 19883
524 1 9 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.157 -0.109 19883
525 1 9 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.286 0.080 19883
526 1 9 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.715 -0.047 19883
527 1 9 . 1 1 19 19 GLU H H 19 7.911 7.911 7.705 0.206 19883
528 1 9 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.415 -0.136 19883
529 1 9 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.257 0.696 19883
530 1 9 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.046 -1.078 19883
531 1 9 . 1 1 20 20 HIS H H 20 7.811 7.811 7.452 0.359 19883
532 1 10 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.608 -0.573 19883
533 1 10 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.002 2.739 19883
534 1 10 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.295 0.259 19883
535 1 10 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.209 0.180 19883
536 1 10 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.958 0.258 19883
537 1 10 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.369 -0.119 19883
538 1 10 . 1 1 3 3 PHE H H 3 8.090 8.090 8.527 -0.437 19883
539 1 10 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.579 1.214 19883
540 1 10 . 1 1 4 4 GLY H H 4 8.070 8.070 8.111 -0.041 19883
541 1 10 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.124 -0.320 19883
542 1 10 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.704 2.012 19883
543 1 10 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.953 0.106 19883
544 1 10 . 1 1 5 5 VAL H H 5 7.761 7.761 7.600 0.161 19883
545 1 10 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.023 0.030 19883
546 1 10 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.503 -2.850 19883
547 1 10 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.596 0.647 19883
548 1 10 . 1 1 6 6 LEU H H 6 7.942 7.942 8.723 -0.781 19883
549 1 10 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.039 0.063 19883
550 1 10 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.961 -0.663 19883
551 1 10 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.253 0.159 19883
552 1 10 . 1 1 7 7 ALA H H 7 7.830 7.830 8.079 -0.249 19883
553 1 10 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.132 0.050 19883
554 1 10 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.663 -0.739 19883
555 1 10 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.241 0.585 19883
556 1 10 . 1 1 8 8 LYS H H 8 7.600 7.600 7.955 -0.355 19883
557 1 10 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.884 0.107 19883
558 1 10 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.242 -0.839 19883
559 1 10 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.802 0.442 19883
560 1 10 . 1 1 9 9 VAL H H 9 7.620 7.620 7.441 0.179 19883
561 1 10 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.122 0.098 19883
562 1 10 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.466 -1.266 19883
563 1 10 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.450 0.542 19883
564 1 10 . 1 1 10 10 ALA H H 10 8.085 8.085 7.672 0.413 19883
565 1 10 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.425 -0.166 19883
566 1 10 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.108 2.357 19883
567 1 10 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.330 0.202 19883
568 1 10 . 1 1 11 11 ALA H H 11 7.386 7.386 7.698 -0.312 19883
569 1 10 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.255 0.327 19883
570 1 10 . 1 1 15 15 GLY H H 15 8.506 8.506 8.246 0.260 19883
571 1 10 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.998 0.268 19883
572 1 10 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.629 -0.161 19883
573 1 10 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.743 0.321 19883
574 1 10 . 1 1 16 16 ALA H H 16 7.936 7.936 8.499 -0.563 19883
575 1 10 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.772 0.050 19883
576 1 10 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.353 0.448 19883
577 1 10 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.627 -0.065 19883
578 1 10 . 1 1 17 17 ILE H H 17 7.934 7.934 8.069 -0.135 19883
579 1 10 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.124 -0.035 19883
580 1 10 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.013 0.133 19883
581 1 10 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.340 0.007 19883
582 1 10 . 1 1 18 18 ALA H H 18 8.147 8.147 7.553 0.594 19883
583 1 10 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.144 -0.096 19883
584 1 10 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.879 0.487 19883
585 1 10 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.867 -0.199 19883
586 1 10 . 1 1 19 19 GLU H H 19 7.911 7.911 7.973 -0.062 19883
587 1 10 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.457 -0.178 19883
588 1 10 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.303 0.650 19883
589 1 10 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.781 -1.813 19883
590 1 10 . 1 1 20 20 HIS H H 20 7.811 7.811 7.492 0.319 19883
591 1 11 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.577 -0.542 19883
592 1 11 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.070 2.671 19883
593 1 11 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.083 0.471 19883
594 1 11 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.222 0.167 19883
595 1 11 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.187 0.029 19883
596 1 11 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.347 -0.097 19883
597 1 11 . 1 1 3 3 PHE H H 3 8.090 8.090 8.594 -0.504 19883
598 1 11 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.778 1.015 19883
599 1 11 . 1 1 4 4 GLY H H 4 8.070 8.070 7.845 0.225 19883
600 1 11 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.156 -0.352 19883
601 1 11 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.630 1.086 19883
602 1 11 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.074 -0.015 19883
603 1 11 . 1 1 5 5 VAL H H 5 7.761 7.761 7.571 0.190 19883
604 1 11 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.078 -0.025 19883
605 1 11 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.652 -2.999 19883
606 1 11 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.696 0.548 19883
607 1 11 . 1 1 6 6 LEU H H 6 7.942 7.942 8.863 -0.921 19883
608 1 11 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.887 0.215 19883
609 1 11 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.443 -1.145 19883
610 1 11 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.051 0.361 19883
611 1 11 . 1 1 7 7 ALA H H 7 7.830 7.830 7.745 0.085 19883
612 1 11 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.111 0.071 19883
613 1 11 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.847 -0.924 19883
614 1 11 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.128 0.698 19883
615 1 11 . 1 1 8 8 LYS H H 8 7.600 7.600 8.076 -0.476 19883
616 1 11 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.881 0.110 19883
617 1 11 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.305 -0.902 19883
618 1 11 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.907 0.337 19883
619 1 11 . 1 1 9 9 VAL H H 9 7.620 7.620 7.525 0.095 19883
620 1 11 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.218 0.002 19883
621 1 11 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.395 -1.196 19883
622 1 11 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.558 0.434 19883
623 1 11 . 1 1 10 10 ALA H H 10 8.085 8.085 8.135 -0.050 19883
624 1 11 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.443 -0.184 19883
625 1 11 . 1 1 11 11 ALA CA C 11 54.466 54.466 51.984 2.482 19883
626 1 11 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.466 0.066 19883
627 1 11 . 1 1 11 11 ALA H H 11 7.386 7.386 7.604 -0.218 19883
628 1 11 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.090 0.492 19883
629 1 11 . 1 1 15 15 GLY H H 15 8.506 8.506 8.161 0.345 19883
630 1 11 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.943 0.323 19883
631 1 11 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.332 0.136 19883
632 1 11 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.424 0.640 19883
633 1 11 . 1 1 16 16 ALA H H 16 7.936 7.936 8.440 -0.504 19883
634 1 11 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.837 -0.015 19883
635 1 11 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.542 0.259 19883
636 1 11 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.563 -0.001 19883
637 1 11 . 1 1 17 17 ILE H H 17 7.934 7.934 8.005 -0.071 19883
638 1 11 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.266 -0.177 19883
639 1 11 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.324 0.822 19883
640 1 11 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.469 -0.122 19883
641 1 11 . 1 1 18 18 ALA H H 18 8.147 8.147 7.645 0.502 19883
642 1 11 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.108 -0.060 19883
643 1 11 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.786 0.580 19883
644 1 11 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.979 -0.311 19883
645 1 11 . 1 1 19 19 GLU H H 19 7.911 7.911 7.910 0.001 19883
646 1 11 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.456 -0.177 19883
647 1 11 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.944 0.009 19883
648 1 11 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.633 -1.665 19883
649 1 11 . 1 1 20 20 HIS H H 20 7.811 7.811 7.691 0.120 19883
650 1 12 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.605 -0.570 19883
651 1 12 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.028 2.713 19883
652 1 12 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.288 0.266 19883
653 1 12 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883
654 1 12 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.111 0.105 19883
655 1 12 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.342 -0.092 19883
656 1 12 . 1 1 3 3 PHE H H 3 8.090 8.090 8.580 -0.490 19883
657 1 12 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.775 1.018 19883
658 1 12 . 1 1 4 4 GLY H H 4 8.070 8.070 8.097 -0.027 19883
659 1 12 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.082 -0.278 19883
660 1 12 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.073 1.643 19883
661 1 12 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.956 0.103 19883
662 1 12 . 1 1 5 5 VAL H H 5 7.761 7.761 7.623 0.138 19883
663 1 12 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.068 -0.015 19883
664 1 12 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.663 -3.010 19883
665 1 12 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.670 -0.426 19883
666 1 12 . 1 1 6 6 LEU H H 6 7.942 7.942 8.723 -0.781 19883
667 1 12 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.997 0.105 19883
668 1 12 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.978 -0.680 19883
669 1 12 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.126 0.286 19883
670 1 12 . 1 1 7 7 ALA H H 7 7.830 7.830 7.642 0.188 19883
671 1 12 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.092 0.090 19883
672 1 12 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.092 -1.169 19883
673 1 12 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.324 0.502 19883
674 1 12 . 1 1 8 8 LYS H H 8 7.600 7.600 7.716 -0.116 19883
675 1 12 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.753 0.238 19883
676 1 12 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.768 -1.365 19883
677 1 12 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.436 0.808 19883
678 1 12 . 1 1 9 9 VAL H H 9 7.620 7.620 7.582 0.038 19883
679 1 12 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.061 0.159 19883
680 1 12 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.028 -0.828 19883
681 1 12 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.295 0.697 19883
682 1 12 . 1 1 10 10 ALA H H 10 8.085 8.085 7.482 0.603 19883
683 1 12 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.261 -0.002 19883
684 1 12 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.799 1.667 19883
685 1 12 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.270 0.262 19883
686 1 12 . 1 1 11 11 ALA H H 11 7.386 7.386 7.493 -0.107 19883
687 1 12 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.268 1.314 19883
688 1 12 . 1 1 15 15 GLY H H 15 8.506 8.506 8.504 0.002 19883
689 1 12 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.028 0.238 19883
690 1 12 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.727 -0.259 19883
691 1 12 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.860 0.204 19883
692 1 12 . 1 1 16 16 ALA H H 16 7.936 7.936 8.306 -0.370 19883
693 1 12 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.707 0.115 19883
694 1 12 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.229 0.572 19883
695 1 12 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.586 -0.024 19883
696 1 12 . 1 1 17 17 ILE H H 17 7.934 7.934 8.166 -0.232 19883
697 1 12 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.138 -0.049 19883
698 1 12 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.018 0.128 19883
699 1 12 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.091 0.256 19883
700 1 12 . 1 1 18 18 ALA H H 18 8.147 8.147 7.534 0.613 19883
701 1 12 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.156 -0.108 19883
702 1 12 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.454 -0.088 19883
703 1 12 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.908 -0.240 19883
704 1 12 . 1 1 19 19 GLU H H 19 7.911 7.911 8.453 -0.542 19883
705 1 12 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.544 -0.265 19883
706 1 12 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.605 1.348 19883
707 1 12 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.877 -1.909 19883
708 1 12 . 1 1 20 20 HIS H H 20 7.811 7.811 7.680 0.131 19883
709 1 13 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.583 -0.548 19883
710 1 13 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.066 2.675 19883
711 1 13 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.277 0.277 19883
712 1 13 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883
713 1 13 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.099 0.117 19883
714 1 13 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.354 -0.104 19883
715 1 13 . 1 1 3 3 PHE H H 3 8.090 8.090 8.549 -0.459 19883
716 1 13 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.875 0.918 19883
717 1 13 . 1 1 4 4 GLY H H 4 8.070 8.070 8.012 0.058 19883
718 1 13 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.938 -0.134 19883
719 1 13 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.750 0.966 19883
720 1 13 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.241 -0.182 19883
721 1 13 . 1 1 5 5 VAL H H 5 7.761 7.761 7.674 0.087 19883
722 1 13 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.297 -0.244 19883
723 1 13 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.800 -2.147 19883
724 1 13 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.490 -1.246 19883
725 1 13 . 1 1 6 6 LEU H H 6 7.942 7.942 8.264 -0.322 19883
726 1 13 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.106 -0.004 19883
727 1 13 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.850 -0.552 19883
728 1 13 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.465 -0.053 19883
729 1 13 . 1 1 7 7 ALA H H 7 7.830 7.830 7.664 0.166 19883
730 1 13 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.055 0.127 19883
731 1 13 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.775 -0.852 19883
732 1 13 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.607 1.219 19883
733 1 13 . 1 1 8 8 LYS H H 8 7.600 7.600 7.705 -0.105 19883
734 1 13 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.814 0.177 19883
735 1 13 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.886 -1.483 19883
736 1 13 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.476 0.768 19883
737 1 13 . 1 1 9 9 VAL H H 9 7.620 7.620 7.342 0.278 19883
738 1 13 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.055 0.165 19883
739 1 13 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.262 -1.062 19883
740 1 13 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.209 0.783 19883
741 1 13 . 1 1 10 10 ALA H H 10 8.085 8.085 7.746 0.339 19883
742 1 13 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.274 -0.015 19883
743 1 13 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.672 1.794 19883
744 1 13 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.177 0.355 19883
745 1 13 . 1 1 11 11 ALA H H 11 7.386 7.386 7.485 -0.099 19883
746 1 13 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.547 1.034 19883
747 1 13 . 1 1 15 15 GLY H H 15 8.506 8.506 8.529 -0.023 19883
748 1 13 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.122 0.144 19883
749 1 13 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.552 -0.084 19883
750 1 13 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.526 0.538 19883
751 1 13 . 1 1 16 16 ALA H H 16 7.936 7.936 8.405 -0.469 19883
752 1 13 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.776 0.046 19883
753 1 13 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.513 0.288 19883
754 1 13 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.550 0.012 19883
755 1 13 . 1 1 17 17 ILE H H 17 7.934 7.934 7.966 -0.032 19883
756 1 13 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.121 -0.032 19883
757 1 13 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.902 0.244 19883
758 1 13 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.182 0.165 19883
759 1 13 . 1 1 18 18 ALA H H 18 8.147 8.147 7.593 0.554 19883
760 1 13 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.128 -0.080 19883
761 1 13 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.549 -0.183 19883
762 1 13 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.938 -0.270 19883
763 1 13 . 1 1 19 19 GLU H H 19 7.911 7.911 8.142 -0.231 19883
764 1 13 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.583 -0.304 19883
765 1 13 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.617 1.335 19883
766 1 13 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.864 -1.896 19883
767 1 13 . 1 1 20 20 HIS H H 20 7.811 7.811 7.766 0.045 19883
768 1 14 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.660 -0.625 19883
769 1 14 . 1 1 2 2 LEU CA C 2 57.741 57.741 53.501 4.240 19883
770 1 14 . 1 1 2 2 LEU CB C 2 42.554 42.554 41.682 0.872 19883
771 1 14 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.217 0.172 19883
772 1 14 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.429 -0.213 19883
773 1 14 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.267 -0.017 19883
774 1 14 . 1 1 3 3 PHE H H 3 8.090 8.090 8.642 -0.552 19883
775 1 14 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.585 1.208 19883
776 1 14 . 1 1 4 4 GLY H H 4 8.070 8.070 8.027 0.043 19883
777 1 14 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.036 -0.232 19883
778 1 14 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.466 1.250 19883
779 1 14 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.180 -0.121 19883
780 1 14 . 1 1 5 5 VAL H H 5 7.761 7.761 7.662 0.099 19883
781 1 14 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.018 0.035 19883
782 1 14 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.051 -3.398 19883
783 1 14 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.884 -0.640 19883
784 1 14 . 1 1 6 6 LEU H H 6 7.942 7.942 8.513 -0.571 19883
785 1 14 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.009 0.093 19883
786 1 14 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.049 -0.751 19883
787 1 14 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.138 0.274 19883
788 1 14 . 1 1 7 7 ALA H H 7 7.830 7.830 7.909 -0.079 19883
789 1 14 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.169 0.013 19883
790 1 14 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.939 -1.016 19883
791 1 14 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.355 0.471 19883
792 1 14 . 1 1 8 8 LYS H H 8 7.600 7.600 7.501 0.099 19883
793 1 14 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.772 0.219 19883
794 1 14 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.286 -0.883 19883
795 1 14 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.706 1.538 19883
796 1 14 . 1 1 9 9 VAL H H 9 7.620 7.620 7.496 0.124 19883
797 1 14 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.123 0.097 19883
798 1 14 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.799 -0.599 19883
799 1 14 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.453 0.539 19883
800 1 14 . 1 1 10 10 ALA H H 10 8.085 8.085 7.408 0.677 19883
801 1 14 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.273 -0.014 19883
802 1 14 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.612 1.854 19883
803 1 14 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.195 0.337 19883
804 1 14 . 1 1 11 11 ALA H H 11 7.386 7.386 7.523 -0.137 19883
805 1 14 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.429 1.153 19883
806 1 14 . 1 1 15 15 GLY H H 15 8.506 8.506 8.514 -0.008 19883
807 1 14 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.006 0.260 19883
808 1 14 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.442 0.026 19883
809 1 14 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.830 0.234 19883
810 1 14 . 1 1 16 16 ALA H H 16 7.936 7.936 8.280 -0.344 19883
811 1 14 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.751 0.071 19883
812 1 14 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.315 0.486 19883
813 1 14 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.454 0.108 19883
814 1 14 . 1 1 17 17 ILE H H 17 7.934 7.934 8.116 -0.182 19883
815 1 14 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.201 -0.112 19883
816 1 14 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.645 0.501 19883
817 1 14 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.193 0.154 19883
818 1 14 . 1 1 18 18 ALA H H 18 8.147 8.147 7.480 0.667 19883
819 1 14 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.095 -0.047 19883
820 1 14 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.162 0.204 19883
821 1 14 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.006 -0.338 19883
822 1 14 . 1 1 19 19 GLU H H 19 7.911 7.911 8.102 -0.191 19883
823 1 14 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.560 -0.281 19883
824 1 14 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.991 -0.038 19883
825 1 14 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.402 -2.434 19883
826 1 14 . 1 1 20 20 HIS H H 20 7.811 7.811 7.624 0.187 19883
827 1 15 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.654 -0.619 19883
828 1 15 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.311 2.430 19883
829 1 15 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.481 0.073 19883
830 1 15 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883
831 1 15 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.092 0.124 19883
832 1 15 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.349 -0.099 19883
833 1 15 . 1 1 3 3 PHE H H 3 8.090 8.090 8.540 -0.450 19883
834 1 15 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.834 0.959 19883
835 1 15 . 1 1 4 4 GLY H H 4 8.070 8.070 8.139 -0.069 19883
836 1 15 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.068 -0.264 19883
837 1 15 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.206 2.510 19883
838 1 15 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.787 0.272 19883
839 1 15 . 1 1 5 5 VAL H H 5 7.761 7.761 7.732 0.029 19883
840 1 15 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.262 -0.209 19883
841 1 15 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.071 -2.417 19883
842 1 15 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.310 -1.066 19883
843 1 15 . 1 1 6 6 LEU H H 6 7.942 7.942 8.299 -0.357 19883
844 1 15 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.157 -0.055 19883
845 1 15 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.731 -0.433 19883
846 1 15 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.603 -0.191 19883
847 1 15 . 1 1 7 7 ALA H H 7 7.830 7.830 7.646 0.184 19883
848 1 15 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.076 0.106 19883
849 1 15 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.896 -0.973 19883
850 1 15 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.682 1.144 19883
851 1 15 . 1 1 8 8 LYS H H 8 7.600 7.600 7.657 -0.057 19883
852 1 15 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.820 0.171 19883
853 1 15 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.161 -0.758 19883
854 1 15 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.805 1.439 19883
855 1 15 . 1 1 9 9 VAL H H 9 7.620 7.620 7.381 0.239 19883
856 1 15 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.054 0.166 19883
857 1 15 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.236 -1.036 19883
858 1 15 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.213 0.779 19883
859 1 15 . 1 1 10 10 ALA H H 10 8.085 8.085 7.593 0.492 19883
860 1 15 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.276 -0.017 19883
861 1 15 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.703 1.763 19883
862 1 15 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.169 0.363 19883
863 1 15 . 1 1 11 11 ALA H H 11 7.386 7.386 7.578 -0.192 19883
864 1 15 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.553 0.029 19883
865 1 15 . 1 1 15 15 GLY H H 15 8.506 8.506 8.240 0.266 19883
866 1 15 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.083 0.183 19883
867 1 15 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.289 0.179 19883
868 1 15 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.640 0.424 19883
869 1 15 . 1 1 16 16 ALA H H 16 7.936 7.936 8.486 -0.550 19883
870 1 15 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.789 0.033 19883
871 1 15 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.225 0.576 19883
872 1 15 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.539 0.023 19883
873 1 15 . 1 1 17 17 ILE H H 17 7.934 7.934 7.988 -0.054 19883
874 1 15 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.184 -0.095 19883
875 1 15 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.978 0.168 19883
876 1 15 . 1 1 18 18 ALA CB C 18 18.347 18.347 17.940 0.407 19883
877 1 15 . 1 1 18 18 ALA H H 18 8.147 8.147 7.850 0.297 19883
878 1 15 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.165 -0.117 19883
879 1 15 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.159 0.207 19883
880 1 15 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.729 -0.061 19883
881 1 15 . 1 1 19 19 GLU H H 19 7.911 7.911 7.906 0.005 19883
882 1 15 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.330 -0.051 19883
883 1 15 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.885 0.068 19883
884 1 15 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.688 -1.720 19883
885 1 15 . 1 1 20 20 HIS H H 20 7.811 7.811 7.790 0.021 19883
886 1 16 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.588 -0.553 19883
887 1 16 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.308 2.433 19883
888 1 16 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.394 0.160 19883
889 1 16 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.208 0.181 19883
890 1 16 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.125 0.091 19883
891 1 16 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.341 -0.091 19883
892 1 16 . 1 1 3 3 PHE H H 3 8.090 8.090 8.547 -0.457 19883
893 1 16 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.867 0.926 19883
894 1 16 . 1 1 4 4 GLY H H 4 8.070 8.070 8.032 0.038 19883
895 1 16 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.945 -0.141 19883
896 1 16 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.792 0.924 19883
897 1 16 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.245 -0.186 19883
898 1 16 . 1 1 5 5 VAL H H 5 7.761 7.761 7.647 0.114 19883
899 1 16 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.237 -0.184 19883
900 1 16 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.745 -2.092 19883
901 1 16 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.240 -0.996 19883
902 1 16 . 1 1 6 6 LEU H H 6 7.942 7.942 8.382 -0.440 19883
903 1 16 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.168 -0.066 19883
904 1 16 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.744 -0.446 19883
905 1 16 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.593 -0.181 19883
906 1 16 . 1 1 7 7 ALA H H 7 7.830 7.830 7.600 0.230 19883
907 1 16 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.074 0.108 19883
908 1 16 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.850 -0.927 19883
909 1 16 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.666 1.159 19883
910 1 16 . 1 1 8 8 LYS H H 8 7.600 7.600 7.645 -0.045 19883
911 1 16 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.689 0.302 19883
912 1 16 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.001 -0.598 19883
913 1 16 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.749 1.495 19883
914 1 16 . 1 1 9 9 VAL H H 9 7.620 7.620 7.395 0.225 19883
915 1 16 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.249 -0.029 19883
916 1 16 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.005 -0.805 19883
917 1 16 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.307 0.685 19883
918 1 16 . 1 1 10 10 ALA H H 10 8.085 8.085 7.725 0.360 19883
919 1 16 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.186 0.073 19883
920 1 16 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.325 2.141 19883
921 1 16 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.954 0.578 19883
922 1 16 . 1 1 11 11 ALA H H 11 7.386 7.386 7.725 -0.339 19883
923 1 16 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.003 0.579 19883
924 1 16 . 1 1 15 15 GLY H H 15 8.506 8.506 8.421 0.085 19883
925 1 16 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.081 0.185 19883
926 1 16 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.514 -0.046 19883
927 1 16 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.677 0.386 19883
928 1 16 . 1 1 16 16 ALA H H 16 7.936 7.936 8.299 -0.363 19883
929 1 16 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.398 0.424 19883
930 1 16 . 1 1 17 17 ILE CA C 17 64.801 64.801 63.771 1.030 19883
931 1 16 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.565 -0.003 19883
932 1 16 . 1 1 17 17 ILE H H 17 7.934 7.934 8.035 -0.101 19883
933 1 16 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.251 -0.162 19883
934 1 16 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.866 0.280 19883
935 1 16 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.143 0.204 19883
936 1 16 . 1 1 18 18 ALA H H 18 8.147 8.147 7.535 0.612 19883
937 1 16 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.194 -0.146 19883
938 1 16 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.387 -0.021 19883
939 1 16 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.759 -0.091 19883
940 1 16 . 1 1 19 19 GLU H H 19 7.911 7.911 7.999 -0.088 19883
941 1 16 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.372 -0.093 19883
942 1 16 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.232 1.721 19883
943 1 16 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.466 -1.498 19883
944 1 16 . 1 1 20 20 HIS H H 20 7.811 7.811 7.596 0.215 19883
945 1 17 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.690 -0.655 19883
946 1 17 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.311 2.430 19883
947 1 17 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.457 0.097 19883
948 1 17 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.208 0.181 19883
949 1 17 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.940 0.276 19883
950 1 17 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.367 -0.117 19883
951 1 17 . 1 1 3 3 PHE H H 3 8.090 8.090 8.534 -0.444 19883
952 1 17 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.596 1.197 19883
953 1 17 . 1 1 4 4 GLY H H 4 8.070 8.070 8.108 -0.038 19883
954 1 17 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.079 -0.275 19883
955 1 17 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.544 1.172 19883
956 1 17 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.038 0.021 19883
957 1 17 . 1 1 5 5 VAL H H 5 7.761 7.761 7.557 0.204 19883
958 1 17 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.968 0.085 19883
959 1 17 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.637 -2.984 19883
960 1 17 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.766 0.478 19883
961 1 17 . 1 1 6 6 LEU H H 6 7.942 7.942 8.528 -0.586 19883
962 1 17 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.009 0.093 19883
963 1 17 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.871 -0.573 19883
964 1 17 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.300 0.112 19883
965 1 17 . 1 1 7 7 ALA H H 7 7.830 7.830 7.876 -0.046 19883
966 1 17 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.022 0.160 19883
967 1 17 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.035 -1.113 19883
968 1 17 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.235 0.591 19883
969 1 17 . 1 1 8 8 LYS H H 8 7.600 7.600 7.473 0.127 19883
970 1 17 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.568 0.423 19883
971 1 17 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.647 -0.244 19883
972 1 17 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.781 0.463 19883
973 1 17 . 1 1 9 9 VAL H H 9 7.620 7.620 7.421 0.199 19883
974 1 17 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.177 0.043 19883
975 1 17 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.461 -0.261 19883
976 1 17 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.987 0.005 19883
977 1 17 . 1 1 10 10 ALA H H 10 8.085 8.085 7.502 0.583 19883
978 1 17 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.474 -0.215 19883
979 1 17 . 1 1 11 11 ALA CA C 11 54.466 54.466 51.763 2.703 19883
980 1 17 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.506 0.026 19883
981 1 17 . 1 1 11 11 ALA H H 11 7.386 7.386 7.414 -0.028 19883
982 1 17 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.696 0.886 19883
983 1 17 . 1 1 15 15 GLY H H 15 8.506 8.506 8.431 0.075 19883
984 1 17 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.176 0.090 19883
985 1 17 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.579 -0.111 19883
986 1 17 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.698 0.366 19883
987 1 17 . 1 1 16 16 ALA H H 16 7.936 7.936 8.418 -0.482 19883
988 1 17 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.782 0.040 19883
989 1 17 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.212 0.589 19883
990 1 17 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.600 -0.038 19883
991 1 17 . 1 1 17 17 ILE H H 17 7.934 7.934 8.163 -0.229 19883
992 1 17 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.181 -0.092 19883
993 1 17 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.937 0.209 19883
994 1 17 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.195 0.152 19883
995 1 17 . 1 1 18 18 ALA H H 18 8.147 8.147 7.620 0.527 19883
996 1 17 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.051 -0.003 19883
997 1 17 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.637 -0.271 19883
998 1 17 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.721 -0.053 19883
999 1 17 . 1 1 19 19 GLU H H 19 7.911 7.911 8.024 -0.113 19883
1000 1 17 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.350 -0.071 19883
1001 1 17 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.214 -0.261 19883
1002 1 17 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.464 -1.496 19883
1003 1 17 . 1 1 20 20 HIS H H 20 7.811 7.811 7.608 0.203 19883
1004 1 18 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.494 -0.459 19883
1005 1 18 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.488 2.253 19883
1006 1 18 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.165 0.389 19883
1007 1 18 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.274 0.115 19883
1008 1 18 . 1 1 3 3 PHE CA C 3 60.216 60.216 58.861 1.355 19883
1009 1 18 . 1 1 3 3 PHE CB C 3 38.250 38.250 37.435 0.815 19883
1010 1 18 . 1 1 3 3 PHE H H 3 8.090 8.090 7.690 0.400 19883
1011 1 18 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.678 1.115 19883
1012 1 18 . 1 1 4 4 GLY H H 4 8.070 8.070 8.034 0.036 19883
1013 1 18 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.954 -0.150 19883
1014 1 18 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.544 1.171 19883
1015 1 18 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.156 -0.097 19883
1016 1 18 . 1 1 5 5 VAL H H 5 7.761 7.761 7.711 0.050 19883
1017 1 18 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.312 -0.259 19883
1018 1 18 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.384 -1.731 19883
1019 1 18 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.527 -1.283 19883
1020 1 18 . 1 1 6 6 LEU H H 6 7.942 7.942 8.180 -0.238 19883
1021 1 18 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.296 -0.194 19883
1022 1 18 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.484 -0.186 19883
1023 1 18 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.907 -0.495 19883
1024 1 18 . 1 1 7 7 ALA H H 7 7.830 7.830 7.746 0.084 19883
1025 1 18 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.108 0.074 19883
1026 1 18 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.081 -1.158 19883
1027 1 18 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.875 0.951 19883
1028 1 18 . 1 1 8 8 LYS H H 8 7.600 7.600 7.634 -0.034 19883
1029 1 18 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.822 0.169 19883
1030 1 18 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.800 -0.397 19883
1031 1 18 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.727 1.517 19883
1032 1 18 . 1 1 9 9 VAL H H 9 7.620 7.620 8.014 -0.394 19883
1033 1 18 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.243 -0.023 19883
1034 1 18 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.458 -0.258 19883
1035 1 18 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.782 0.210 19883
1036 1 18 . 1 1 10 10 ALA H H 10 8.085 8.085 7.744 0.341 19883
1037 1 18 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.394 -0.135 19883
1038 1 18 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.237 2.229 19883
1039 1 18 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.337 0.195 19883
1040 1 18 . 1 1 11 11 ALA H H 11 7.386 7.386 7.534 -0.148 19883
1041 1 18 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.713 -0.131 19883
1042 1 18 . 1 1 15 15 GLY H H 15 8.506 8.506 8.499 0.007 19883
1043 1 18 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.099 0.167 19883
1044 1 18 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.895 -0.427 19883
1045 1 18 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.709 0.355 19883
1046 1 18 . 1 1 16 16 ALA H H 16 7.936 7.936 8.201 -0.265 19883
1047 1 18 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.593 0.229 19883
1048 1 18 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.207 0.594 19883
1049 1 18 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.628 -0.066 19883
1050 1 18 . 1 1 17 17 ILE H H 17 7.934 7.934 7.909 0.025 19883
1051 1 18 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.134 -0.045 19883
1052 1 18 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.003 0.143 19883
1053 1 18 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.194 0.153 19883
1054 1 18 . 1 1 18 18 ALA H H 18 8.147 8.147 7.849 0.298 19883
1055 1 18 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.147 -0.099 19883
1056 1 18 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.112 0.254 19883
1057 1 18 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.069 -0.401 19883
1058 1 18 . 1 1 19 19 GLU H H 19 7.911 7.911 8.112 -0.201 19883
1059 1 18 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.528 -0.249 19883
1060 1 18 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.990 0.963 19883
1061 1 18 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.477 -2.509 19883
1062 1 18 . 1 1 20 20 HIS H H 20 7.811 7.811 7.929 -0.118 19883
1063 1 19 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.573 -0.538 19883
1064 1 19 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.474 2.267 19883
1065 1 19 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.132 0.422 19883
1066 1 19 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.282 0.107 19883
1067 1 19 . 1 1 3 3 PHE CA C 3 60.216 60.216 58.808 1.408 19883
1068 1 19 . 1 1 3 3 PHE CB C 3 38.250 38.250 37.483 0.768 19883
1069 1 19 . 1 1 3 3 PHE H H 3 8.090 8.090 7.713 0.377 19883
1070 1 19 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.551 1.242 19883
1071 1 19 . 1 1 4 4 GLY H H 4 8.070 8.070 8.016 0.054 19883
1072 1 19 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.889 -0.085 19883
1073 1 19 . 1 1 5 5 VAL CA C 5 65.716 65.716 65.517 0.199 19883
1074 1 19 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.188 -0.129 19883
1075 1 19 . 1 1 5 5 VAL H H 5 7.761 7.761 7.645 0.116 19883
1076 1 19 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.136 -0.083 19883
1077 1 19 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.015 -2.362 19883
1078 1 19 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.993 0.251 19883
1079 1 19 . 1 1 6 6 LEU H H 6 7.942 7.942 8.167 -0.225 19883
1080 1 19 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.124 -0.022 19883
1081 1 19 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.884 -0.586 19883
1082 1 19 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.400 0.012 19883
1083 1 19 . 1 1 7 7 ALA H H 7 7.830 7.830 7.726 0.104 19883
1084 1 19 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.113 0.069 19883
1085 1 19 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.877 -0.954 19883
1086 1 19 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.307 0.519 19883
1087 1 19 . 1 1 8 8 LYS H H 8 7.600 7.600 7.634 -0.034 19883
1088 1 19 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.814 0.176 19883
1089 1 19 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.579 -1.176 19883
1090 1 19 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.472 0.772 19883
1091 1 19 . 1 1 9 9 VAL H H 9 7.620 7.620 7.541 0.079 19883
1092 1 19 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.251 -0.031 19883
1093 1 19 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.203 -1.002 19883
1094 1 19 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.626 0.366 19883
1095 1 19 . 1 1 10 10 ALA H H 10 8.085 8.085 7.659 0.426 19883
1096 1 19 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.413 -0.154 19883
1097 1 19 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.374 2.092 19883
1098 1 19 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.955 0.577 19883
1099 1 19 . 1 1 11 11 ALA H H 11 7.386 7.386 7.461 -0.075 19883
1100 1 19 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.051 0.531 19883
1101 1 19 . 1 1 15 15 GLY H H 15 8.506 8.506 8.302 0.204 19883
1102 1 19 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.094 0.172 19883
1103 1 19 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.853 -0.385 19883
1104 1 19 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.474 0.590 19883
1105 1 19 . 1 1 16 16 ALA H H 16 7.936 7.936 8.451 -0.515 19883
1106 1 19 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.874 -0.052 19883
1107 1 19 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.353 0.448 19883
1108 1 19 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.605 -0.043 19883
1109 1 19 . 1 1 17 17 ILE H H 17 7.934 7.934 7.939 -0.005 19883
1110 1 19 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.187 -0.098 19883
1111 1 19 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.941 0.205 19883
1112 1 19 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.331 0.016 19883
1113 1 19 . 1 1 18 18 ALA H H 18 8.147 8.147 7.746 0.401 19883
1114 1 19 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.189 -0.141 19883
1115 1 19 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.450 0.916 19883
1116 1 19 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.805 -0.137 19883
1117 1 19 . 1 1 19 19 GLU H H 19 7.911 7.911 8.015 -0.104 19883
1118 1 19 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.360 -0.081 19883
1119 1 19 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.038 -0.085 19883
1120 1 19 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.922 -1.954 19883
1121 1 19 . 1 1 20 20 HIS H H 20 7.811 7.811 7.714 0.097 19883
1122 1 20 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.706 -0.671 19883
1123 1 20 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.309 2.432 19883
1124 1 20 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.473 0.081 19883
1125 1 20 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.218 0.171 19883
1126 1 20 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.924 0.292 19883
1127 1 20 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.382 -0.132 19883
1128 1 20 . 1 1 3 3 PHE H H 3 8.090 8.090 8.543 -0.453 19883
1129 1 20 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.521 1.272 19883
1130 1 20 . 1 1 4 4 GLY H H 4 8.070 8.070 8.114 -0.044 19883
1131 1 20 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.918 -0.114 19883
1132 1 20 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.611 1.105 19883
1133 1 20 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.204 -0.145 19883
1134 1 20 . 1 1 5 5 VAL H H 5 7.761 7.761 7.584 0.177 19883
1135 1 20 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.006 0.047 19883
1136 1 20 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.597 -2.944 19883
1137 1 20 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.729 -0.485 19883
1138 1 20 . 1 1 6 6 LEU H H 6 7.942 7.942 8.623 -0.681 19883
1139 1 20 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.131 -0.029 19883
1140 1 20 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.531 -0.232 19883
1141 1 20 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.275 0.137 19883
1142 1 20 . 1 1 7 7 ALA H H 7 7.830 7.830 8.063 -0.233 19883
1143 1 20 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.170 0.012 19883
1144 1 20 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.605 -0.681 19883
1145 1 20 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.321 0.505 19883
1146 1 20 . 1 1 8 8 LYS H H 8 7.600 7.600 7.540 0.060 19883
1147 1 20 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.861 0.130 19883
1148 1 20 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.190 -0.787 19883
1149 1 20 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.772 1.472 19883
1150 1 20 . 1 1 9 9 VAL H H 9 7.620 7.620 7.619 0.001 19883
1151 1 20 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.123 0.097 19883
1152 1 20 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.167 -0.967 19883
1153 1 20 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.030 0.962 19883
1154 1 20 . 1 1 10 10 ALA H H 10 8.085 8.085 7.789 0.296 19883
1155 1 20 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.222 0.037 19883
1156 1 20 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.819 1.647 19883
1157 1 20 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.336 0.196 19883
1158 1 20 . 1 1 11 11 ALA H H 11 7.386 7.386 7.724 -0.338 19883
1159 1 20 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.027 1.555 19883
1160 1 20 . 1 1 15 15 GLY H H 15 8.506 8.506 8.450 0.056 19883
1161 1 20 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.898 0.368 19883
1162 1 20 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.216 0.252 19883
1163 1 20 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.724 0.340 19883
1164 1 20 . 1 1 16 16 ALA H H 16 7.936 7.936 8.218 -0.282 19883
1165 1 20 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.684 0.138 19883
1166 1 20 . 1 1 17 17 ILE CA C 17 64.801 64.801 63.517 1.284 19883
1167 1 20 . 1 1 17 17 ILE CB C 17 37.562 37.562 36.674 0.888 19883
1168 1 20 . 1 1 17 17 ILE H H 17 7.934 7.934 8.120 -0.186 19883
1169 1 20 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.209 -0.120 19883
1170 1 20 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.644 0.502 19883
1171 1 20 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.445 -0.098 19883
1172 1 20 . 1 1 18 18 ALA H H 18 8.147 8.147 7.788 0.359 19883
1173 1 20 . 1 1 19 19 GLU HA H 19 4.048 4.048 3.985 0.063 19883
1174 1 20 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.171 0.195 19883
1175 1 20 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.784 -0.116 19883
1176 1 20 . 1 1 19 19 GLU H H 19 7.911 7.911 7.805 0.106 19883
1177 1 20 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.346 -0.067 19883
1178 1 20 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.612 0.341 19883
1179 1 20 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.257 -1.289 19883
1180 1 20 . 1 1 20 20 HIS H H 20 7.811 7.811 7.452 0.359 19883
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 0 0.000 0.000 0.000 19883
2 1 1 "Average Difference" HA 18 0.190 0.009 0.195 19883
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19883
4 1 1 "Average Difference" CA 16 1.354 -0.103 1.395 19883
5 1 1 "Average Difference" CB 14 0.573 -0.086 0.588 19883
6 1 1 "Average Difference" HN 15 0.406 0.034 0.419 19883
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19883
8 1 2 "Average Difference" HA 18 0.173 0.005 0.178 19883
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19883
10 1 2 "Average Difference" CA 16 1.357 -0.120 1.396 19883
11 1 2 "Average Difference" CB 14 0.591 0.031 0.613 19883
12 1 2 "Average Difference" HN 15 0.332 0.035 0.342 19883
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19883
14 1 3 "Average Difference" HA 18 0.225 0.016 0.231 19883
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19883
16 1 3 "Average Difference" CA 16 1.566 -0.230 1.600 19883
17 1 3 "Average Difference" CB 14 0.398 0.003 0.413 19883
18 1 3 "Average Difference" HN 15 0.384 0.089 0.386 19883
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19883
20 1 4 "Average Difference" HA 18 0.208 0.017 0.214 19883
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19883
22 1 4 "Average Difference" CA 16 1.193 -0.153 1.222 19883
23 1 4 "Average Difference" CB 14 0.677 -0.017 0.702 19883
24 1 4 "Average Difference" HN 15 0.285 0.044 0.292 19883
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19883
26 1 5 "Average Difference" HA 18 0.228 -0.007 0.234 19883
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19883
28 1 5 "Average Difference" CA 16 1.306 -0.155 1.339 19883
29 1 5 "Average Difference" CB 14 0.692 -0.049 0.716 19883
30 1 5 "Average Difference" HN 15 0.307 0.032 0.316 19883
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19883
32 1 6 "Average Difference" HA 18 0.213 0.009 0.219 19883
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19883
34 1 6 "Average Difference" CA 16 1.287 -0.142 1.321 19883
35 1 6 "Average Difference" CB 14 0.648 -0.068 0.669 19883
36 1 6 "Average Difference" HN 15 0.336 0.040 0.345 19883
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19883
38 1 7 "Average Difference" HA 18 0.213 -0.013 0.219 19883
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19883
40 1 7 "Average Difference" CA 16 1.310 -0.214 1.335 19883
41 1 7 "Average Difference" CB 14 0.703 0.007 0.729 19883
42 1 7 "Average Difference" HN 15 0.310 0.077 0.310 19883
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19883
44 1 8 "Average Difference" HA 18 0.191 0.022 0.196 19883
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19883
46 1 8 "Average Difference" CA 16 1.466 -0.239 1.494 19883
47 1 8 "Average Difference" CB 14 0.564 0.025 0.585 19883
48 1 8 "Average Difference" HN 15 0.379 0.067 0.386 19883
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19883
50 1 9 "Average Difference" HA 18 0.174 0.003 0.179 19883
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19883
52 1 9 "Average Difference" CA 16 1.251 -0.283 1.259 19883
53 1 9 "Average Difference" CB 14 0.488 -0.069 0.502 19883
54 1 9 "Average Difference" HN 15 0.338 -0.040 0.347 19883
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19883
56 1 10 "Average Difference" HA 18 0.193 0.017 0.197 19883
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19883
58 1 10 "Average Difference" CA 16 1.394 -0.257 1.415 19883
59 1 10 "Average Difference" CB 14 0.588 -0.077 0.605 19883
60 1 10 "Average Difference" HN 15 0.381 0.067 0.388 19883
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19883
62 1 11 "Average Difference" HA 18 0.202 0.026 0.207 19883
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19883
64 1 11 "Average Difference" CA 16 1.375 -0.151 1.411 19883
65 1 11 "Average Difference" CB 14 0.582 -0.096 0.596 19883
66 1 11 "Average Difference" HN 15 0.376 0.079 0.381 19883
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19883
68 1 12 "Average Difference" HA 18 0.201 -0.009 0.207 19883
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19883
70 1 12 "Average Difference" CA 16 1.398 -0.194 1.430 19883
71 1 12 "Average Difference" CB 14 0.634 -0.049 0.656 19883
72 1 12 "Average Difference" HN 15 0.381 0.063 0.388 19883
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19883
74 1 13 "Average Difference" HA 18 0.187 0.019 0.191 19883
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19883
76 1 13 "Average Difference" CA 16 1.229 -0.188 1.254 19883
77 1 13 "Average Difference" CB 14 0.778 -0.026 0.807 19883
78 1 13 "Average Difference" HN 15 0.277 0.014 0.286 19883
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19883
80 1 14 "Average Difference" HA 18 0.204 0.005 0.210 19883
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19883
82 1 14 "Average Difference" CA 16 1.593 -0.252 1.625 19883
83 1 14 "Average Difference" CB 14 0.861 -0.070 0.891 19883
84 1 14 "Average Difference" HN 15 0.348 0.011 0.360 19883
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19883
86 1 15 "Average Difference" HA 18 0.200 0.012 0.205 19883
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19883
88 1 15 "Average Difference" CA 16 1.258 -0.212 1.281 19883
89 1 15 "Average Difference" CB 14 0.788 -0.128 0.807 19883
90 1 15 "Average Difference" HN 15 0.280 0.013 0.289 19883
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19883
92 1 16 "Average Difference" HA 18 0.214 -0.011 0.219 19883
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19883
94 1 16 "Average Difference" CA 16 1.202 -0.324 1.195 19883
95 1 16 "Average Difference" CB 14 0.752 -0.116 0.771 19883
96 1 16 "Average Difference" HN 15 0.299 -0.003 0.310 19883
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19883
98 1 17 "Average Difference" HA 18 0.218 0.001 0.224 19883
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19883
100 1 17 "Average Difference" CA 16 1.323 -0.228 1.346 19883
101 1 17 "Average Difference" CB 14 0.480 -0.043 0.496 19883
102 1 17 "Average Difference" HN 15 0.327 0.003 0.339 19883
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19883
104 1 18 "Average Difference" HA 18 0.204 0.011 0.209 19883
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19883
106 1 18 "Average Difference" CA 16 1.136 -0.362 1.112 19883
107 1 18 "Average Difference" CB 14 0.949 0.019 0.985 19883
108 1 18 "Average Difference" HN 15 0.222 0.010 0.229 19883
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19883
110 1 19 "Average Difference" HA 18 0.161 0.032 0.162 19883
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19883
112 1 19 "Average Difference" CA 16 1.220 -0.172 1.247 19883
113 1 19 "Average Difference" CB 14 0.674 -0.145 0.684 19883
114 1 19 "Average Difference" HN 15 0.245 -0.060 0.246 19883
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19883
116 1 20 "Average Difference" HA 18 0.201 -0.009 0.207 19883
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19883
118 1 20 "Average Difference" CA 16 1.295 -0.329 1.294 19883
119 1 20 "Average Difference" CB 14 0.669 -0.166 0.673 19883
120 1 20 "Average Difference" HN 15 0.300 0.053 0.305 19883
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 19883
_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 HA H 2 4.035 4.035 4.625 -0.591 19883
2 1 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.126 2.615 19883
3 1 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.237 0.317 19883
4 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.221 0.168 19883
5 1 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.954 0.262 19883
6 1 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.264 -0.014 19883
7 1 . 1 1 3 3 PHE H H 3 8.090 8.090 8.468 -0.378 19883
8 1 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.689 1.104 19883
9 1 . 1 1 4 4 GLY H H 4 8.070 8.070 7.995 0.075 19883
10 1 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.035 -0.231 19883
11 1 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.285 1.431 19883
12 1 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.093 -0.035 19883
13 1 . 1 1 5 5 VAL H H 5 7.761 7.761 7.627 0.134 19883
14 1 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.088 -0.035 19883
15 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.483 -2.830 19883
16 1 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.722 -0.479 19883
17 1 . 1 1 6 6 LEU H H 6 7.942 7.942 8.537 -0.594 19883
18 1 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.059 0.043 19883
19 1 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.853 -0.555 19883
20 1 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.302 0.110 19883
21 1 . 1 1 7 7 ALA H H 7 7.830 7.830 7.838 -0.008 19883
22 1 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.113 0.069 19883
23 1 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.830 -0.907 19883
24 1 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.165 0.661 19883
25 1 . 1 1 8 8 LYS H H 8 7.600 7.600 7.695 -0.095 19883
26 1 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.790 0.201 19883
27 1 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.345 -0.942 19883
28 1 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.353 0.891 19883
29 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.520 0.100 19883
30 1 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.151 0.069 19883
31 1 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.016 -0.816 19883
32 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.478 0.514 19883
33 1 . 1 1 10 10 ALA H H 10 8.085 8.085 7.669 0.416 19883
34 1 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.309 -0.050 19883
35 1 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.435 2.031 19883
36 1 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.264 0.268 19883
37 1 . 1 1 11 11 ALA H H 11 7.386 7.386 7.664 -0.278 19883
38 1 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.960 0.622 19883
39 1 . 1 1 15 15 GLY H H 15 8.506 8.506 8.377 0.129 19883
40 1 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.056 0.210 19883
41 1 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.552 -0.084 19883
42 1 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.658 0.406 19883
43 1 . 1 1 16 16 ALA H H 16 7.936 7.936 8.339 -0.403 19883
44 1 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.751 0.071 19883
45 1 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.258 0.543 19883
46 1 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.584 -0.022 19883
47 1 . 1 1 17 17 ILE H H 17 7.934 7.934 8.046 -0.112 19883
48 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.206 -0.117 19883
49 1 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.805 0.341 19883
50 1 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.253 0.094 19883
51 1 . 1 1 18 18 ALA H H 18 8.147 8.147 7.655 0.492 19883
52 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.127 -0.079 19883
53 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.141 0.225 19883
54 1 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.867 -0.199 19883
55 1 . 1 1 19 19 GLU H H 19 7.911 7.911 8.027 -0.116 19883
56 1 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.430 -0.151 19883
57 1 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.547 0.406 19883
58 1 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.699 -1.731 19883
59 1 . 1 1 20 20 HIS H H 20 7.811 7.811 7.643 0.168 19883
stop_
save_