data_18520
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18520
_Entry.PDB_ID 2LUG
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 18520
_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 GLN N N 2 122.100 122.100 119.668 2.432 18520
2 1 1 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.517 -0.397 18520
3 1 1 . 1 1 2 2 GLN C C 2 173.600 173.600 174.972 -1.372 18520
4 1 1 . 1 1 2 2 GLN CA C 2 55.700 55.700 53.946 1.754 18520
5 1 1 . 1 1 2 2 GLN CB C 2 29.200 29.200 31.199 -1.999 18520
6 1 1 . 1 1 2 2 GLN H H 2 8.340 8.340 8.487 -0.147 18520
7 1 1 . 1 1 3 3 HIS N N 3 120.300 120.300 118.327 1.973 18520
8 1 1 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.692 -0.202 18520
9 1 1 . 1 1 3 3 HIS C C 3 173.400 173.400 175.252 -1.852 18520
10 1 1 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.608 0.092 18520
11 1 1 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.743 -1.943 18520
12 1 1 . 1 1 3 3 HIS H H 3 8.440 8.440 8.310 0.130 18520
13 1 1 . 1 1 4 4 GLY N N 4 110.300 110.300 109.175 1.125 18520
14 1 1 . 1 1 4 4 GLY C C 4 171.900 171.900 172.628 -0.728 18520
15 1 1 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.522 -0.522 18520
16 1 1 . 1 1 4 4 GLY H H 4 8.370 8.370 8.264 0.106 18520
17 1 1 . 1 1 5 5 ARG N N 5 120.800 120.800 119.415 1.385 18520
18 1 1 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.720 -0.480 18520
19 1 1 . 1 1 5 5 ARG C C 5 174.700 174.700 176.333 -1.633 18520
20 1 1 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.637 0.163 18520
21 1 1 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.084 -0.584 18520
22 1 1 . 1 1 5 5 ARG H H 5 8.240 8.240 8.413 -0.173 18520
23 1 1 . 1 1 6 6 THR N N 6 116.100 116.100 115.678 0.422 18520
24 1 1 . 1 1 6 6 THR HA H 6 4.120 4.120 4.404 -0.284 18520
25 1 1 . 1 1 6 6 THR C C 6 172.600 172.600 173.724 -1.124 18520
26 1 1 . 1 1 6 6 THR CA C 6 61.900 61.900 61.592 0.308 18520
27 1 1 . 1 1 6 6 THR CB C 6 69.500 69.500 69.972 -0.472 18520
28 1 1 . 1 1 6 6 THR H H 6 8.240 8.240 7.812 0.427 18520
29 1 1 . 1 1 7 7 GLN N N 7 122.000 122.000 124.333 -2.333 18520
30 1 1 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.191 -0.071 18520
31 1 1 . 1 1 7 7 GLN C C 7 173.400 173.400 176.161 -2.761 18520
32 1 1 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.577 -0.777 18520
33 1 1 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.465 -0.165 18520
34 1 1 . 1 1 7 7 GLN H H 7 8.390 8.390 8.422 -0.032 18520
35 1 1 . 1 1 8 8 ASP N N 8 121.400 121.400 125.974 -4.574 18520
36 1 1 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.600 -0.220 18520
37 1 1 . 1 1 8 8 ASP C C 8 173.700 173.700 175.600 -1.900 18520
38 1 1 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.225 -0.925 18520
39 1 1 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.210 -0.410 18520
40 1 1 . 1 1 8 8 ASP H H 8 8.180 8.180 8.560 -0.380 18520
41 1 1 . 1 1 9 9 GLU N N 9 120.600 120.600 126.277 -5.677 18520
42 1 1 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.229 -0.089 18520
43 1 1 . 1 1 9 9 GLU C C 9 173.700 173.700 176.012 -2.312 18520
44 1 1 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.295 -0.695 18520
45 1 1 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.583 0.217 18520
46 1 1 . 1 1 9 9 GLU H H 9 8.050 8.050 8.608 -0.558 18520
47 1 1 . 1 1 10 10 ASN N N 10 124.100 124.100 126.167 -2.067 18520
48 1 1 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.827 -0.147 18520
49 1 1 . 1 1 10 10 ASN C C 10 172.400 172.400 175.195 -2.795 18520
50 1 1 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.281 0.619 18520
51 1 1 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.785 1.615 18520
52 1 1 . 1 1 10 10 ASN H H 10 8.950 8.950 8.825 0.125 18520
53 1 1 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.037 0.213 18520
54 1 1 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.212 -0.212 18520
55 1 1 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.743 0.657 18520
56 1 1 . 1 1 12 12 VAL N N 12 119.100 119.100 119.048 0.052 18520
57 1 1 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.694 -0.094 18520
58 1 1 . 1 1 12 12 VAL C C 12 175.300 175.300 178.312 -3.012 18520
59 1 1 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.935 0.365 18520
60 1 1 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.347 -0.247 18520
61 1 1 . 1 1 12 12 VAL H H 12 8.190 8.190 7.794 0.396 18520
62 1 1 . 1 1 13 13 VAL N N 13 120.000 120.000 120.053 -0.053 18520
63 1 1 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.676 -0.206 18520
64 1 1 . 1 1 13 13 VAL C C 13 175.400 175.400 177.887 -2.487 18520
65 1 1 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.246 0.554 18520
66 1 1 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.372 0.128 18520
67 1 1 . 1 1 13 13 VAL H H 13 7.430 7.430 7.741 -0.311 18520
68 1 1 . 1 1 14 14 HIS N N 14 116.900 116.900 120.376 -3.476 18520
69 1 1 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.350 -0.430 18520
70 1 1 . 1 1 14 14 HIS C C 14 174.400 174.400 177.439 -3.039 18520
71 1 1 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.919 -0.219 18520
72 1 1 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.808 -0.508 18520
73 1 1 . 1 1 14 14 HIS H H 14 8.320 8.320 8.498 -0.178 18520
74 1 1 . 1 1 15 15 PHE N N 15 118.600 118.600 117.938 0.662 18520
75 1 1 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.136 -0.166 18520
76 1 1 . 1 1 15 15 PHE C C 15 175.200 175.200 177.993 -2.793 18520
77 1 1 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.147 2.053 18520
78 1 1 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.832 1.168 18520
79 1 1 . 1 1 15 15 PHE H H 15 7.770 7.770 8.019 -0.249 18520
80 1 1 . 1 1 16 16 PHE N N 16 116.500 116.500 120.650 -4.150 18520
81 1 1 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.007 -0.087 18520
82 1 1 . 1 1 16 16 PHE C C 16 175.500 175.500 177.152 -1.652 18520
83 1 1 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.155 -0.455 18520
84 1 1 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.210 -0.010 18520
85 1 1 . 1 1 16 16 PHE H H 16 7.890 7.890 8.603 -0.713 18520
86 1 1 . 1 1 17 17 LYS N N 17 117.900 117.900 118.307 -0.407 18520
87 1 1 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.769 -0.069 18520
88 1 1 . 1 1 17 17 LYS C C 17 175.900 175.900 178.991 -3.091 18520
89 1 1 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.438 0.262 18520
90 1 1 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.170 0.130 18520
91 1 1 . 1 1 17 17 LYS H H 17 8.430 8.430 8.398 0.032 18520
92 1 1 . 1 1 18 18 ASN N N 18 115.200 115.200 117.219 -2.019 18520
93 1 1 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.375 -0.105 18520
94 1 1 . 1 1 18 18 ASN C C 18 173.900 173.900 176.745 -2.845 18520
95 1 1 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.793 -1.293 18520
96 1 1 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.219 0.281 18520
97 1 1 . 1 1 18 18 ASN H H 18 7.460 7.460 8.017 -0.557 18520
98 1 1 . 1 1 19 19 ILE N N 19 117.600 117.600 118.138 -0.538 18520
99 1 1 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.836 -0.156 18520
100 1 1 . 1 1 19 19 ILE C C 19 173.800 173.800 177.434 -3.634 18520
101 1 1 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.829 -0.929 18520
102 1 1 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.454 -0.654 18520
103 1 1 . 1 1 19 19 ILE H H 19 7.170 7.170 7.353 -0.183 18520
104 1 1 . 1 1 20 20 VAL N N 20 113.300 113.300 112.843 0.457 18520
105 1 1 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.108 -0.168 18520
106 1 1 . 1 1 20 20 VAL C C 20 173.400 173.400 176.160 -2.760 18520
107 1 1 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.013 -0.812 18520
108 1 1 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.514 -0.514 18520
109 1 1 . 1 1 20 20 VAL H H 20 7.210 7.210 7.447 -0.237 18520
110 1 1 . 1 1 21 21 THR N N 21 117.300 117.300 118.123 -0.823 18520
111 1 1 . 1 1 21 21 THR HA H 21 4.320 4.320 4.739 -0.419 18520
112 1 1 . 1 1 21 21 THR C C 21 180.100 180.100 172.494 7.606 18520
113 1 1 . 1 1 21 21 THR CA C 21 58.200 58.200 58.701 -0.501 18520
114 1 1 . 1 1 21 21 THR CB C 21 69.500 69.500 70.340 -0.840 18520
115 1 1 . 1 1 21 21 THR H H 21 7.600 7.600 7.693 -0.093 18520
116 1 1 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.361 -0.121 18520
117 1 1 . 1 1 22 22 PRO C C 22 174.800 174.800 176.645 -1.845 18520
118 1 1 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.773 -0.973 18520
119 1 1 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.099 -0.399 18520
120 1 1 . 1 1 23 23 ARG N N 23 121.500 121.500 120.696 0.804 18520
121 1 1 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.381 -0.221 18520
122 1 1 . 1 1 23 23 ARG C C 23 174.200 174.200 176.001 -1.801 18520
123 1 1 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.862 -0.062 18520
124 1 1 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.608 -0.008 18520
125 1 1 . 1 1 23 23 ARG H H 23 8.440 8.440 7.778 0.662 18520
126 1 1 . 1 1 24 24 THR N N 24 118.500 118.500 120.599 -2.099 18520
127 1 1 . 1 1 24 24 THR HA H 24 4.360 4.360 4.338 0.022 18520
128 1 1 . 1 1 24 24 THR C C 24 180.200 180.200 173.495 6.705 18520
129 1 1 . 1 1 24 24 THR CA C 24 59.700 59.700 61.515 -1.815 18520
130 1 1 . 1 1 24 24 THR CB C 24 69.600 69.600 69.036 0.564 18520
131 1 1 . 1 1 24 24 THR H H 24 8.150 8.150 8.225 -0.075 18520
132 1 1 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.514 -0.024 18520
133 1 1 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.928 -0.728 18520
134 1 1 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.377 -0.877 18520
135 1 1 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.547 -0.027 18520
136 1 1 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.675 -0.575 18520
137 1 1 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.355 -0.855 18520
138 1 1 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.411 -0.161 18520
139 1 1 . 1 1 27 27 PRO C C 27 175.000 175.000 176.555 -1.555 18520
140 1 1 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.383 0.417 18520
141 1 1 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.363 -0.663 18520
142 1 1 . 1 1 28 28 SER N N 28 115.800 115.800 116.034 -0.234 18520
143 1 1 . 1 1 28 28 SER HA H 28 4.210 4.210 4.319 -0.109 18520
144 1 1 . 1 1 28 28 SER C C 28 172.600 172.600 174.474 -1.874 18520
145 1 1 . 1 1 28 28 SER CA C 28 58.100 58.100 59.363 -1.263 18520
146 1 1 . 1 1 28 28 SER CB C 28 63.400 63.400 63.704 -0.304 18520
147 1 1 . 1 1 28 28 SER H H 28 8.300 8.300 8.339 -0.039 18520
148 1 1 . 1 1 29 29 GLN N N 29 122.000 122.000 122.190 -0.190 18520
149 1 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.961 -0.781 18520
150 1 1 . 1 1 29 29 GLN C C 29 174.200 174.200 176.984 -2.784 18520
151 1 1 . 1 1 29 29 GLN CA C 29 55.700 55.700 53.821 1.879 18520
152 1 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.046 -1.946 18520
153 1 1 . 1 1 29 29 GLN H H 29 8.360 8.360 8.645 -0.284 18520
154 1 1 . 1 1 30 30 GLY N N 30 109.900 109.900 108.762 1.138 18520
155 1 1 . 1 1 30 30 GLY C C 30 172.000 172.000 173.350 -1.350 18520
156 1 1 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.942 0.058 18520
157 1 1 . 1 1 30 30 GLY H H 30 8.310 8.310 8.542 -0.232 18520
158 1 1 . 1 1 31 31 LYS N N 31 120.800 120.800 124.229 -3.429 18520
159 1 1 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.017 0.123 18520
160 1 1 . 1 1 31 31 LYS C C 31 175.100 175.100 177.195 -2.095 18520
161 1 1 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.967 -1.867 18520
162 1 1 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.361 0.339 18520
163 1 1 . 1 1 31 31 LYS H H 31 8.180 8.180 8.511 -0.331 18520
164 1 1 . 1 1 32 32 GLY N N 32 109.900 109.900 114.072 -4.172 18520
165 1 1 . 1 1 32 32 GLY C C 32 171.900 171.900 176.078 -4.178 18520
166 1 1 . 1 1 32 32 GLY CA C 32 45.000 45.000 45.279 -0.279 18520
167 1 1 . 1 1 32 32 GLY H H 32 8.390 8.390 8.632 -0.242 18520
168 1 1 . 1 1 33 33 ARG N N 33 120.600 120.600 121.454 -0.854 18520
169 1 1 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.183 -0.043 18520
170 1 1 . 1 1 33 33 ARG C C 33 174.800 174.800 178.094 -3.294 18520
171 1 1 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.311 -2.411 18520
172 1 1 . 1 1 33 33 ARG CB C 33 30.300 30.300 29.994 0.306 18520
173 1 1 . 1 1 33 33 ARG H H 33 8.190 8.190 7.874 0.316 18520
174 1 1 . 1 1 34 34 GLY N N 34 110.000 110.000 106.880 3.120 18520
175 1 1 . 1 1 34 34 GLY C C 34 171.900 171.900 175.599 -3.699 18520
176 1 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.486 -1.486 18520
177 1 1 . 1 1 34 34 GLY H H 34 8.400 8.400 8.531 -0.131 18520
178 1 1 . 1 1 35 35 LEU N N 35 121.800 121.800 120.418 1.382 18520
179 1 1 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.309 -0.079 18520
180 1 1 . 1 1 35 35 LEU C C 35 174.600 174.600 177.896 -3.296 18520
181 1 1 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.323 -0.523 18520
182 1 1 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.197 0.003 18520
183 1 1 . 1 1 35 35 LEU H H 35 8.050 8.050 7.327 0.723 18520
184 1 2 . 1 1 2 2 GLN N N 2 122.100 122.100 124.197 -2.097 18520
185 1 2 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.727 -0.607 18520
186 1 2 . 1 1 2 2 GLN C C 2 173.600 173.600 175.096 -1.496 18520
187 1 2 . 1 1 2 2 GLN CA C 2 55.700 55.700 54.726 0.974 18520
188 1 2 . 1 1 2 2 GLN CB C 2 29.200 29.200 30.372 -1.172 18520
189 1 2 . 1 1 2 2 GLN H H 2 8.340 8.340 8.338 0.002 18520
190 1 2 . 1 1 3 3 HIS N N 3 120.300 120.300 119.787 0.513 18520
191 1 2 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.328 0.162 18520
192 1 2 . 1 1 3 3 HIS C C 3 173.400 173.400 175.780 -2.380 18520
193 1 2 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.980 -1.280 18520
194 1 2 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.682 -0.882 18520
195 1 2 . 1 1 3 3 HIS H H 3 8.440 8.440 8.569 -0.129 18520
196 1 2 . 1 1 4 4 GLY N N 4 110.300 110.300 112.363 -2.063 18520
197 1 2 . 1 1 4 4 GLY C C 4 171.900 171.900 173.123 -1.223 18520
198 1 2 . 1 1 4 4 GLY CA C 4 45.000 45.000 43.996 1.004 18520
199 1 2 . 1 1 4 4 GLY H H 4 8.370 8.370 7.856 0.514 18520
200 1 2 . 1 1 5 5 ARG N N 5 120.800 120.800 120.250 0.550 18520
201 1 2 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.676 -0.436 18520
202 1 2 . 1 1 5 5 ARG C C 5 174.700 174.700 177.321 -2.621 18520
203 1 2 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.743 0.057 18520
204 1 2 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.780 -1.280 18520
205 1 2 . 1 1 5 5 ARG H H 5 8.240 8.240 8.909 -0.668 18520
206 1 2 . 1 1 6 6 THR N N 6 116.100 116.100 119.380 -3.280 18520
207 1 2 . 1 1 6 6 THR HA H 6 4.120 4.120 4.498 -0.378 18520
208 1 2 . 1 1 6 6 THR C C 6 172.600 172.600 175.644 -3.044 18520
209 1 2 . 1 1 6 6 THR CA C 6 61.900 61.900 64.232 -2.332 18520
210 1 2 . 1 1 6 6 THR CB C 6 69.500 69.500 69.138 0.362 18520
211 1 2 . 1 1 6 6 THR H H 6 8.240 8.240 9.085 -0.845 18520
212 1 2 . 1 1 7 7 GLN N N 7 122.000 122.000 118.917 3.083 18520
213 1 2 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.301 -0.181 18520
214 1 2 . 1 1 7 7 GLN C C 7 173.400 173.400 176.845 -3.445 18520
215 1 2 . 1 1 7 7 GLN CA C 7 55.800 55.800 57.965 -2.165 18520
216 1 2 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.393 0.907 18520
217 1 2 . 1 1 7 7 GLN H H 7 8.390 8.390 8.397 -0.007 18520
218 1 2 . 1 1 8 8 ASP N N 8 121.400 121.400 117.283 4.117 18520
219 1 2 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.703 -0.323 18520
220 1 2 . 1 1 8 8 ASP C C 8 173.700 173.700 175.979 -2.279 18520
221 1 2 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.909 -0.609 18520
222 1 2 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.596 -0.796 18520
223 1 2 . 1 1 8 8 ASP H H 8 8.180 8.180 8.248 -0.068 18520
224 1 2 . 1 1 9 9 GLU N N 9 120.600 120.600 119.911 0.689 18520
225 1 2 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.439 -0.299 18520
226 1 2 . 1 1 9 9 GLU C C 9 173.700 173.700 175.157 -1.457 18520
227 1 2 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.239 0.361 18520
228 1 2 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.284 -0.484 18520
229 1 2 . 1 1 9 9 GLU H H 9 8.050 8.050 8.096 -0.046 18520
230 1 2 . 1 1 10 10 ASN N N 10 124.100 124.100 122.797 1.303 18520
231 1 2 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.622 0.058 18520
232 1 2 . 1 1 10 10 ASN C C 10 172.400 172.400 175.160 -2.760 18520
233 1 2 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.823 0.077 18520
234 1 2 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.840 1.560 18520
235 1 2 . 1 1 10 10 ASN H H 10 8.950 8.950 8.739 0.211 18520
236 1 2 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.315 -0.065 18520
237 1 2 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.340 -0.340 18520
238 1 2 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.058 0.342 18520
239 1 2 . 1 1 12 12 VAL N N 12 119.100 119.100 119.223 -0.123 18520
240 1 2 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.572 0.028 18520
241 1 2 . 1 1 12 12 VAL C C 12 175.300 175.300 177.955 -2.655 18520
242 1 2 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.658 0.642 18520
243 1 2 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.119 -0.019 18520
244 1 2 . 1 1 12 12 VAL H H 12 8.190 8.190 7.822 0.368 18520
245 1 2 . 1 1 13 13 VAL N N 13 120.000 120.000 120.033 -0.033 18520
246 1 2 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.510 -0.040 18520
247 1 2 . 1 1 13 13 VAL C C 13 175.400 175.400 177.883 -2.483 18520
248 1 2 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.227 0.573 18520
249 1 2 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.413 0.087 18520
250 1 2 . 1 1 13 13 VAL H H 13 7.430 7.430 7.653 -0.223 18520
251 1 2 . 1 1 14 14 HIS N N 14 116.900 116.900 118.698 -1.798 18520
252 1 2 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.186 -0.266 18520
253 1 2 . 1 1 14 14 HIS C C 14 174.400 174.400 177.717 -3.317 18520
254 1 2 . 1 1 14 14 HIS CA C 14 59.700 59.700 58.769 0.931 18520
255 1 2 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.978 -0.678 18520
256 1 2 . 1 1 14 14 HIS H H 14 8.320 8.320 7.987 0.333 18520
257 1 2 . 1 1 15 15 PHE N N 15 118.600 118.600 121.422 -2.822 18520
258 1 2 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.074 -0.104 18520
259 1 2 . 1 1 15 15 PHE C C 15 175.200 175.200 177.102 -1.902 18520
260 1 2 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.252 -0.052 18520
261 1 2 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.814 0.186 18520
262 1 2 . 1 1 15 15 PHE H H 15 7.770 7.770 8.087 -0.317 18520
263 1 2 . 1 1 16 16 PHE N N 16 116.500 116.500 117.153 -0.653 18520
264 1 2 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.984 -0.064 18520
265 1 2 . 1 1 16 16 PHE C C 16 175.500 175.500 177.962 -2.462 18520
266 1 2 . 1 1 16 16 PHE CA C 16 61.700 61.700 59.345 2.355 18520
267 1 2 . 1 1 16 16 PHE CB C 16 39.200 39.200 37.970 1.230 18520
268 1 2 . 1 1 16 16 PHE H H 16 7.890 7.890 8.109 -0.219 18520
269 1 2 . 1 1 17 17 LYS N N 17 117.900 117.900 119.267 -1.367 18520
270 1 2 . 1 1 17 17 LYS HA H 17 3.700 3.700 4.019 -0.319 18520
271 1 2 . 1 1 17 17 LYS C C 17 175.900 175.900 178.854 -2.954 18520
272 1 2 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.508 0.192 18520
273 1 2 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.197 0.103 18520
274 1 2 . 1 1 17 17 LYS H H 17 8.430 8.430 8.317 0.113 18520
275 1 2 . 1 1 18 18 ASN N N 18 115.200 115.200 116.146 -0.946 18520
276 1 2 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.644 -0.374 18520
277 1 2 . 1 1 18 18 ASN C C 18 173.900 173.900 175.717 -1.817 18520
278 1 2 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.819 -0.319 18520
279 1 2 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.315 0.185 18520
280 1 2 . 1 1 18 18 ASN H H 18 7.460 7.460 8.082 -0.622 18520
281 1 2 . 1 1 19 19 ILE N N 19 117.600 117.600 117.161 0.439 18520
282 1 2 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.927 -0.247 18520
283 1 2 . 1 1 19 19 ILE C C 19 173.800 173.800 176.995 -3.195 18520
284 1 2 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.144 -0.244 18520
285 1 2 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.950 -1.150 18520
286 1 2 . 1 1 19 19 ILE H H 19 7.170 7.170 7.323 -0.153 18520
287 1 2 . 1 1 20 20 VAL N N 20 113.300 113.300 113.808 -0.508 18520
288 1 2 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.103 -0.163 18520
289 1 2 . 1 1 20 20 VAL C C 20 173.400 173.400 176.182 -2.782 18520
290 1 2 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.198 -0.998 18520
291 1 2 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.590 -0.590 18520
292 1 2 . 1 1 20 20 VAL H H 20 7.210 7.210 7.539 -0.329 18520
293 1 2 . 1 1 21 21 THR N N 21 117.300 117.300 112.323 4.977 18520
294 1 2 . 1 1 21 21 THR HA H 21 4.320 4.320 4.808 -0.488 18520
295 1 2 . 1 1 21 21 THR C C 21 180.100 180.100 172.102 7.998 18520
296 1 2 . 1 1 21 21 THR CA C 21 58.200 58.200 58.558 -0.358 18520
297 1 2 . 1 1 21 21 THR CB C 21 69.500 69.500 69.945 -0.446 18520
298 1 2 . 1 1 21 21 THR H H 21 7.600 7.600 7.828 -0.228 18520
299 1 2 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.322 -0.082 18520
300 1 2 . 1 1 22 22 PRO C C 22 174.800 174.800 177.364 -2.564 18520
301 1 2 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.949 -0.149 18520
302 1 2 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.019 -0.319 18520
303 1 2 . 1 1 23 23 ARG N N 23 121.500 121.500 121.990 -0.490 18520
304 1 2 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.248 -0.088 18520
305 1 2 . 1 1 23 23 ARG C C 23 174.200 174.200 176.812 -2.612 18520
306 1 2 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.263 -1.463 18520
307 1 2 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.716 0.884 18520
308 1 2 . 1 1 23 23 ARG H H 23 8.440 8.440 8.519 -0.079 18520
309 1 2 . 1 1 24 24 THR N N 24 118.500 118.500 118.151 0.349 18520
310 1 2 . 1 1 24 24 THR HA H 24 4.360 4.360 4.582 -0.222 18520
311 1 2 . 1 1 24 24 THR C C 24 180.200 180.200 173.805 6.395 18520
312 1 2 . 1 1 24 24 THR CA C 24 59.700 59.700 59.876 -0.176 18520
313 1 2 . 1 1 24 24 THR CB C 24 69.600 69.600 69.724 -0.124 18520
314 1 2 . 1 1 24 24 THR H H 24 8.150 8.150 8.941 -0.791 18520
315 1 2 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.539 -0.049 18520
316 1 2 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.517 -0.317 18520
317 1 2 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.771 -0.271 18520
318 1 2 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.190 0.330 18520
319 1 2 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.056 -0.956 18520
320 1 2 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.809 -0.309 18520
321 1 2 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.322 -0.072 18520
322 1 2 . 1 1 27 27 PRO C C 27 175.000 175.000 176.477 -1.477 18520
323 1 2 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.501 -0.701 18520
324 1 2 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.213 -0.513 18520
325 1 2 . 1 1 28 28 SER N N 28 115.800 115.800 118.461 -2.661 18520
326 1 2 . 1 1 28 28 SER HA H 28 4.210 4.210 4.609 -0.399 18520
327 1 2 . 1 1 28 28 SER C C 28 172.600 172.600 173.738 -1.138 18520
328 1 2 . 1 1 28 28 SER CA C 28 58.100 58.100 57.923 0.177 18520
329 1 2 . 1 1 28 28 SER CB C 28 63.400 63.400 64.265 -0.865 18520
330 1 2 . 1 1 28 28 SER H H 28 8.300 8.300 8.644 -0.344 18520
331 1 2 . 1 1 29 29 GLN N N 29 122.000 122.000 126.832 -4.832 18520
332 1 2 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.152 0.028 18520
333 1 2 . 1 1 29 29 GLN C C 29 174.200 174.200 176.926 -2.726 18520
334 1 2 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.019 -1.319 18520
335 1 2 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.948 0.152 18520
336 1 2 . 1 1 29 29 GLN H H 29 8.360 8.360 8.822 -0.462 18520
337 1 2 . 1 1 30 30 GLY N N 30 109.900 109.900 114.798 -4.898 18520
338 1 2 . 1 1 30 30 GLY C C 30 172.000 172.000 174.834 -2.834 18520
339 1 2 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.317 -0.317 18520
340 1 2 . 1 1 30 30 GLY H H 30 8.310 8.310 8.847 -0.537 18520
341 1 2 . 1 1 31 31 LYS N N 31 120.800 120.800 119.380 1.420 18520
342 1 2 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.667 -0.527 18520
343 1 2 . 1 1 31 31 LYS C C 31 175.100 175.100 176.631 -1.531 18520
344 1 2 . 1 1 31 31 LYS CA C 31 56.100 56.100 54.844 1.256 18520
345 1 2 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.033 -0.334 18520
346 1 2 . 1 1 31 31 LYS H H 31 8.180 8.180 7.768 0.412 18520
347 1 2 . 1 1 32 32 GLY N N 32 109.900 109.900 107.984 1.916 18520
348 1 2 . 1 1 32 32 GLY C C 32 171.900 171.900 176.252 -4.352 18520
349 1 2 . 1 1 32 32 GLY CA C 32 45.000 45.000 46.106 -1.106 18520
350 1 2 . 1 1 32 32 GLY H H 32 8.390 8.390 8.491 -0.101 18520
351 1 2 . 1 1 33 33 ARG N N 33 120.600 120.600 121.474 -0.874 18520
352 1 2 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.402 -0.262 18520
353 1 2 . 1 1 33 33 ARG C C 33 174.800 174.800 176.676 -1.876 18520
354 1 2 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.231 -0.331 18520
355 1 2 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.869 -0.569 18520
356 1 2 . 1 1 33 33 ARG H H 33 8.190 8.190 7.949 0.241 18520
357 1 2 . 1 1 34 34 GLY N N 34 110.000 110.000 105.503 4.497 18520
358 1 2 . 1 1 34 34 GLY C C 34 171.900 171.900 174.404 -2.504 18520
359 1 2 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.268 -0.268 18520
360 1 2 . 1 1 34 34 GLY H H 34 8.400 8.400 8.267 0.133 18520
361 1 2 . 1 1 35 35 LEU N N 35 121.800 121.800 121.629 0.171 18520
362 1 2 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.348 -0.118 18520
363 1 2 . 1 1 35 35 LEU C C 35 174.600 174.600 176.788 -2.188 18520
364 1 2 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.203 -0.403 18520
365 1 2 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.423 -0.223 18520
366 1 2 . 1 1 35 35 LEU H H 35 8.050 8.050 7.951 0.099 18520
367 1 3 . 1 1 2 2 GLN N N 2 122.100 122.100 124.310 -2.210 18520
368 1 3 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.207 -0.087 18520
369 1 3 . 1 1 2 2 GLN C C 2 173.600 173.600 175.316 -1.716 18520
370 1 3 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.217 -0.516 18520
371 1 3 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.112 0.088 18520
372 1 3 . 1 1 2 2 GLN H H 2 8.340 8.340 8.563 -0.223 18520
373 1 3 . 1 1 3 3 HIS N N 3 120.300 120.300 125.982 -5.682 18520
374 1 3 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.581 -0.091 18520
375 1 3 . 1 1 3 3 HIS C C 3 173.400 173.400 174.761 -1.361 18520
376 1 3 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.562 -0.862 18520
377 1 3 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.621 -0.821 18520
378 1 3 . 1 1 3 3 HIS H H 3 8.440 8.440 8.508 -0.068 18520
379 1 3 . 1 1 4 4 GLY N N 4 110.300 110.300 113.511 -3.211 18520
380 1 3 . 1 1 4 4 GLY C C 4 171.900 171.900 173.555 -1.655 18520
381 1 3 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.596 0.404 18520
382 1 3 . 1 1 4 4 GLY H H 4 8.370 8.370 8.146 0.224 18520
383 1 3 . 1 1 5 5 ARG N N 5 120.800 120.800 120.699 0.101 18520
384 1 3 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.526 -0.286 18520
385 1 3 . 1 1 5 5 ARG C C 5 174.700 174.700 176.031 -1.331 18520
386 1 3 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.961 -0.161 18520
387 1 3 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.172 -0.672 18520
388 1 3 . 1 1 5 5 ARG H H 5 8.240 8.240 8.433 -0.193 18520
389 1 3 . 1 1 6 6 THR N N 6 116.100 116.100 114.356 1.744 18520
390 1 3 . 1 1 6 6 THR HA H 6 4.120 4.120 4.563 -0.443 18520
391 1 3 . 1 1 6 6 THR C C 6 172.600 172.600 174.916 -2.316 18520
392 1 3 . 1 1 6 6 THR CA C 6 61.900 61.900 61.347 0.553 18520
393 1 3 . 1 1 6 6 THR CB C 6 69.500 69.500 70.037 -0.537 18520
394 1 3 . 1 1 6 6 THR H H 6 8.240 8.240 8.276 -0.036 18520
395 1 3 . 1 1 7 7 GLN N N 7 122.000 122.000 123.233 -1.233 18520
396 1 3 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.555 -0.435 18520
397 1 3 . 1 1 7 7 GLN C C 7 173.400 173.400 175.034 -1.634 18520
398 1 3 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.225 0.575 18520
399 1 3 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.553 -0.253 18520
400 1 3 . 1 1 7 7 GLN H H 7 8.390 8.390 8.410 -0.020 18520
401 1 3 . 1 1 8 8 ASP N N 8 121.400 121.400 121.285 0.115 18520
402 1 3 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.671 -0.291 18520
403 1 3 . 1 1 8 8 ASP C C 8 173.700 173.700 176.449 -2.749 18520
404 1 3 . 1 1 8 8 ASP CA C 8 54.300 54.300 53.736 0.564 18520
405 1 3 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.823 -1.023 18520
406 1 3 . 1 1 8 8 ASP H H 8 8.180 8.180 8.500 -0.320 18520
407 1 3 . 1 1 9 9 GLU N N 9 120.600 120.600 118.898 1.702 18520
408 1 3 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.137 0.003 18520
409 1 3 . 1 1 9 9 GLU C C 9 173.700 173.700 176.191 -2.491 18520
410 1 3 . 1 1 9 9 GLU CA C 9 55.600 55.600 57.003 -1.403 18520
411 1 3 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.716 0.084 18520
412 1 3 . 1 1 9 9 GLU H H 9 8.050 8.050 8.715 -0.665 18520
413 1 3 . 1 1 10 10 ASN N N 10 124.100 124.100 119.632 4.468 18520
414 1 3 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.719 -0.039 18520
415 1 3 . 1 1 10 10 ASN C C 10 172.400 172.400 175.281 -2.881 18520
416 1 3 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.753 -0.853 18520
417 1 3 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.663 1.736 18520
418 1 3 . 1 1 10 10 ASN H H 10 8.950 8.950 8.593 0.357 18520
419 1 3 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.516 -0.266 18520
420 1 3 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.577 -0.577 18520
421 1 3 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.010 0.390 18520
422 1 3 . 1 1 12 12 VAL N N 12 119.100 119.100 119.320 -0.220 18520
423 1 3 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.880 -0.280 18520
424 1 3 . 1 1 12 12 VAL C C 12 175.300 175.300 178.381 -3.081 18520
425 1 3 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.987 0.313 18520
426 1 3 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.368 -0.268 18520
427 1 3 . 1 1 12 12 VAL H H 12 8.190 8.190 7.959 0.231 18520
428 1 3 . 1 1 13 13 VAL N N 13 120.000 120.000 120.456 -0.456 18520
429 1 3 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.630 -0.160 18520
430 1 3 . 1 1 13 13 VAL C C 13 175.400 175.400 178.075 -2.675 18520
431 1 3 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.056 0.744 18520
432 1 3 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.301 0.199 18520
433 1 3 . 1 1 13 13 VAL H H 13 7.430 7.430 7.905 -0.475 18520
434 1 3 . 1 1 14 14 HIS N N 14 116.900 116.900 118.127 -1.227 18520
435 1 3 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.461 -0.541 18520
436 1 3 . 1 1 14 14 HIS C C 14 174.400 174.400 177.711 -3.311 18520
437 1 3 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.227 0.473 18520
438 1 3 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.908 -0.608 18520
439 1 3 . 1 1 14 14 HIS H H 14 8.320 8.320 7.957 0.363 18520
440 1 3 . 1 1 15 15 PHE N N 15 118.600 118.600 122.173 -3.573 18520
441 1 3 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.135 -0.165 18520
442 1 3 . 1 1 15 15 PHE C C 15 175.200 175.200 176.961 -1.761 18520
443 1 3 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.575 -0.376 18520
444 1 3 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.778 0.222 18520
445 1 3 . 1 1 15 15 PHE H H 15 7.770 7.770 8.212 -0.442 18520
446 1 3 . 1 1 16 16 PHE N N 16 116.500 116.500 119.497 -2.997 18520
447 1 3 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.851 0.069 18520
448 1 3 . 1 1 16 16 PHE C C 16 175.500 175.500 177.100 -1.600 18520
449 1 3 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.884 -0.184 18520
450 1 3 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.243 -0.043 18520
451 1 3 . 1 1 16 16 PHE H H 16 7.890 7.890 8.251 -0.361 18520
452 1 3 . 1 1 17 17 LYS N N 17 117.900 117.900 117.912 -0.012 18520
453 1 3 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.749 -0.049 18520
454 1 3 . 1 1 17 17 LYS C C 17 175.900 175.900 178.848 -2.948 18520
455 1 3 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.367 0.333 18520
456 1 3 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.167 0.133 18520
457 1 3 . 1 1 17 17 LYS H H 17 8.430 8.430 8.073 0.357 18520
458 1 3 . 1 1 18 18 ASN N N 18 115.200 115.200 117.236 -2.036 18520
459 1 3 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.438 -0.168 18520
460 1 3 . 1 1 18 18 ASN C C 18 173.900 173.900 176.374 -2.474 18520
461 1 3 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.705 -1.205 18520
462 1 3 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.492 0.008 18520
463 1 3 . 1 1 18 18 ASN H H 18 7.460 7.460 8.178 -0.718 18520
464 1 3 . 1 1 19 19 ILE N N 19 117.600 117.600 118.292 -0.692 18520
465 1 3 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.705 -0.025 18520
466 1 3 . 1 1 19 19 ILE C C 19 173.800 173.800 177.283 -3.483 18520
467 1 3 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.733 -0.833 18520
468 1 3 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.353 -0.553 18520
469 1 3 . 1 1 19 19 ILE H H 19 7.170 7.170 7.186 -0.016 18520
470 1 3 . 1 1 20 20 VAL N N 20 113.300 113.300 113.057 0.243 18520
471 1 3 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.046 -0.106 18520
472 1 3 . 1 1 20 20 VAL C C 20 173.400 173.400 176.155 -2.755 18520
473 1 3 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.139 -0.939 18520
474 1 3 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.322 -0.322 18520
475 1 3 . 1 1 20 20 VAL H H 20 7.210 7.210 7.341 -0.131 18520
476 1 3 . 1 1 21 21 THR N N 21 117.300 117.300 117.937 -0.637 18520
477 1 3 . 1 1 21 21 THR HA H 21 4.320 4.320 4.732 -0.412 18520
478 1 3 . 1 1 21 21 THR C C 21 180.100 180.100 172.509 7.591 18520
479 1 3 . 1 1 21 21 THR CA C 21 58.200 58.200 58.666 -0.466 18520
480 1 3 . 1 1 21 21 THR CB C 21 69.500 69.500 70.420 -0.920 18520
481 1 3 . 1 1 21 21 THR H H 21 7.600 7.600 7.635 -0.035 18520
482 1 3 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.346 -0.106 18520
483 1 3 . 1 1 22 22 PRO C C 22 174.800 174.800 176.637 -1.837 18520
484 1 3 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.796 -0.996 18520
485 1 3 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.085 -0.385 18520
486 1 3 . 1 1 23 23 ARG N N 23 121.500 121.500 120.782 0.718 18520
487 1 3 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.336 -0.176 18520
488 1 3 . 1 1 23 23 ARG C C 23 174.200 174.200 176.046 -1.846 18520
489 1 3 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.087 -0.286 18520
490 1 3 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.452 0.148 18520
491 1 3 . 1 1 23 23 ARG H H 23 8.440 8.440 7.805 0.635 18520
492 1 3 . 1 1 24 24 THR N N 24 118.500 118.500 120.990 -2.490 18520
493 1 3 . 1 1 24 24 THR HA H 24 4.360 4.360 4.331 0.029 18520
494 1 3 . 1 1 24 24 THR C C 24 180.200 180.200 173.289 6.911 18520
495 1 3 . 1 1 24 24 THR CA C 24 59.700 59.700 61.330 -1.630 18520
496 1 3 . 1 1 24 24 THR CB C 24 69.600 69.600 69.071 0.529 18520
497 1 3 . 1 1 24 24 THR H H 24 8.150 8.150 8.194 -0.044 18520
498 1 3 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.584 -0.094 18520
499 1 3 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.032 -0.832 18520
500 1 3 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.151 -0.651 18520
501 1 3 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.361 0.159 18520
502 1 3 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.231 -1.131 18520
503 1 3 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.832 -0.332 18520
504 1 3 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.256 -0.006 18520
505 1 3 . 1 1 27 27 PRO C C 27 175.000 175.000 176.286 -1.286 18520
506 1 3 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.276 -0.476 18520
507 1 3 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.992 -0.292 18520
508 1 3 . 1 1 28 28 SER N N 28 115.800 115.800 115.567 0.233 18520
509 1 3 . 1 1 28 28 SER HA H 28 4.210 4.210 4.662 -0.452 18520
510 1 3 . 1 1 28 28 SER C C 28 172.600 172.600 174.310 -1.710 18520
511 1 3 . 1 1 28 28 SER CA C 28 58.100 58.100 56.894 1.206 18520
512 1 3 . 1 1 28 28 SER CB C 28 63.400 63.400 64.758 -1.358 18520
513 1 3 . 1 1 28 28 SER H H 28 8.300 8.300 8.078 0.222 18520
514 1 3 . 1 1 29 29 GLN N N 29 122.000 122.000 121.651 0.349 18520
515 1 3 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.174 0.006 18520
516 1 3 . 1 1 29 29 GLN C C 29 174.200 174.200 177.249 -3.049 18520
517 1 3 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.681 -0.981 18520
518 1 3 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.513 -0.413 18520
519 1 3 . 1 1 29 29 GLN H H 29 8.360 8.360 8.390 -0.030 18520
520 1 3 . 1 1 30 30 GLY N N 30 109.900 109.900 115.806 -5.906 18520
521 1 3 . 1 1 30 30 GLY C C 30 172.000 172.000 175.790 -3.790 18520
522 1 3 . 1 1 30 30 GLY CA C 30 45.000 45.000 47.223 -2.223 18520
523 1 3 . 1 1 30 30 GLY H H 30 8.310 8.310 8.884 -0.574 18520
524 1 3 . 1 1 31 31 LYS N N 31 120.800 120.800 122.054 -1.254 18520
525 1 3 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.126 0.014 18520
526 1 3 . 1 1 31 31 LYS C C 31 175.100 175.100 179.093 -3.993 18520
527 1 3 . 1 1 31 31 LYS CA C 31 56.100 56.100 59.047 -2.947 18520
528 1 3 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.419 0.281 18520
529 1 3 . 1 1 31 31 LYS H H 31 8.180 8.180 8.638 -0.458 18520
530 1 3 . 1 1 32 32 GLY N N 32 109.900 109.900 105.369 4.531 18520
531 1 3 . 1 1 32 32 GLY C C 32 171.900 171.900 175.322 -3.422 18520
532 1 3 . 1 1 32 32 GLY CA C 32 45.000 45.000 46.011 -1.010 18520
533 1 3 . 1 1 32 32 GLY H H 32 8.390 8.390 8.304 0.086 18520
534 1 3 . 1 1 33 33 ARG N N 33 120.600 120.600 120.719 -0.119 18520
535 1 3 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.229 -0.089 18520
536 1 3 . 1 1 33 33 ARG C C 33 174.800 174.800 177.033 -2.233 18520
537 1 3 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.817 -0.917 18520
538 1 3 . 1 1 33 33 ARG CB C 33 30.300 30.300 31.590 -1.290 18520
539 1 3 . 1 1 33 33 ARG H H 33 8.190 8.190 7.961 0.229 18520
540 1 3 . 1 1 34 34 GLY N N 34 110.000 110.000 106.970 3.030 18520
541 1 3 . 1 1 34 34 GLY C C 34 171.900 171.900 173.892 -1.992 18520
542 1 3 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.597 0.403 18520
543 1 3 . 1 1 34 34 GLY H H 34 8.400 8.400 8.099 0.301 18520
544 1 3 . 1 1 35 35 LEU N N 35 121.800 121.800 120.965 0.835 18520
545 1 3 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.764 -0.534 18520
546 1 3 . 1 1 35 35 LEU C C 35 174.600 174.600 175.607 -1.007 18520
547 1 3 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.067 0.733 18520
548 1 3 . 1 1 35 35 LEU CB C 35 42.200 42.200 43.606 -1.407 18520
549 1 3 . 1 1 35 35 LEU H H 35 8.050 8.050 8.232 -0.182 18520
550 1 4 . 1 1 2 2 GLN N N 2 122.100 122.100 125.511 -3.411 18520
551 1 4 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.260 -0.140 18520
552 1 4 . 1 1 2 2 GLN C C 2 173.600 173.600 175.579 -1.979 18520
553 1 4 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.894 -0.194 18520
554 1 4 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.401 -0.201 18520
555 1 4 . 1 1 2 2 GLN H H 2 8.340 8.340 8.392 -0.052 18520
556 1 4 . 1 1 3 3 HIS N N 3 120.300 120.300 126.427 -6.127 18520
557 1 4 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.494 -0.004 18520
558 1 4 . 1 1 3 3 HIS C C 3 173.400 173.400 175.393 -1.993 18520
559 1 4 . 1 1 3 3 HIS CA C 3 55.700 55.700 57.169 -1.468 18520
560 1 4 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.537 -1.737 18520
561 1 4 . 1 1 3 3 HIS H H 3 8.440 8.440 8.738 -0.298 18520
562 1 4 . 1 1 4 4 GLY N N 4 110.300 110.300 111.902 -1.602 18520
563 1 4 . 1 1 4 4 GLY C C 4 171.900 171.900 173.583 -1.683 18520
564 1 4 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.326 0.674 18520
565 1 4 . 1 1 4 4 GLY H H 4 8.370 8.370 8.051 0.319 18520
566 1 4 . 1 1 5 5 ARG N N 5 120.800 120.800 121.540 -0.740 18520
567 1 4 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.358 -0.118 18520
568 1 4 . 1 1 5 5 ARG C C 5 174.700 174.700 177.130 -2.430 18520
569 1 4 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.990 -1.190 18520
570 1 4 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.558 -0.058 18520
571 1 4 . 1 1 5 5 ARG H H 5 8.240 8.240 8.317 -0.077 18520
572 1 4 . 1 1 6 6 THR N N 6 116.100 116.100 118.713 -2.613 18520
573 1 4 . 1 1 6 6 THR HA H 6 4.120 4.120 4.651 -0.531 18520
574 1 4 . 1 1 6 6 THR C C 6 172.600 172.600 173.655 -1.055 18520
575 1 4 . 1 1 6 6 THR CA C 6 61.900 61.900 61.515 0.385 18520
576 1 4 . 1 1 6 6 THR CB C 6 69.500 69.500 70.726 -1.226 18520
577 1 4 . 1 1 6 6 THR H H 6 8.240 8.240 8.625 -0.385 18520
578 1 4 . 1 1 7 7 GLN N N 7 122.000 122.000 121.144 0.856 18520
579 1 4 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.459 -0.339 18520
580 1 4 . 1 1 7 7 GLN C C 7 173.400 173.400 174.553 -1.153 18520
581 1 4 . 1 1 7 7 GLN CA C 7 55.800 55.800 54.966 0.834 18520
582 1 4 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.748 -0.448 18520
583 1 4 . 1 1 7 7 GLN H H 7 8.390 8.390 8.394 -0.004 18520
584 1 4 . 1 1 8 8 ASP N N 8 121.400 121.400 122.081 -0.681 18520
585 1 4 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.369 0.011 18520
586 1 4 . 1 1 8 8 ASP C C 8 173.700 173.700 175.265 -1.565 18520
587 1 4 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.237 -0.937 18520
588 1 4 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.295 0.505 18520
589 1 4 . 1 1 8 8 ASP H H 8 8.180 8.180 8.737 -0.557 18520
590 1 4 . 1 1 9 9 GLU N N 9 120.600 120.600 118.415 2.185 18520
591 1 4 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.391 -0.251 18520
592 1 4 . 1 1 9 9 GLU C C 9 173.700 173.700 175.093 -1.393 18520
593 1 4 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.547 0.053 18520
594 1 4 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.878 -1.078 18520
595 1 4 . 1 1 9 9 GLU H H 9 8.050 8.050 8.136 -0.086 18520
596 1 4 . 1 1 10 10 ASN N N 10 124.100 124.100 119.403 4.697 18520
597 1 4 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.703 -0.023 18520
598 1 4 . 1 1 10 10 ASN C C 10 172.400 172.400 175.324 -2.924 18520
599 1 4 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.855 0.045 18520
600 1 4 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.109 1.291 18520
601 1 4 . 1 1 10 10 ASN H H 10 8.950 8.950 8.261 0.689 18520
602 1 4 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.423 -0.172 18520
603 1 4 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.248 -0.248 18520
604 1 4 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.162 0.238 18520
605 1 4 . 1 1 12 12 VAL N N 12 119.100 119.100 119.504 -0.404 18520
606 1 4 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.858 -0.258 18520
607 1 4 . 1 1 12 12 VAL C C 12 175.300 175.300 178.363 -3.063 18520
608 1 4 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.941 0.359 18520
609 1 4 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.373 -0.273 18520
610 1 4 . 1 1 12 12 VAL H H 12 8.190 8.190 7.906 0.284 18520
611 1 4 . 1 1 13 13 VAL N N 13 120.000 120.000 120.227 -0.227 18520
612 1 4 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.625 -0.155 18520
613 1 4 . 1 1 13 13 VAL C C 13 175.400 175.400 177.921 -2.521 18520
614 1 4 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.247 0.553 18520
615 1 4 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.424 0.076 18520
616 1 4 . 1 1 13 13 VAL H H 13 7.430 7.430 7.829 -0.399 18520
617 1 4 . 1 1 14 14 HIS N N 14 116.900 116.900 118.986 -2.086 18520
618 1 4 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.174 -0.254 18520
619 1 4 . 1 1 14 14 HIS C C 14 174.400 174.400 177.600 -3.200 18520
620 1 4 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.043 0.657 18520
621 1 4 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.850 -0.550 18520
622 1 4 . 1 1 14 14 HIS H H 14 8.320 8.320 8.257 0.063 18520
623 1 4 . 1 1 15 15 PHE N N 15 118.600 118.600 120.922 -2.322 18520
624 1 4 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.042 -0.072 18520
625 1 4 . 1 1 15 15 PHE C C 15 175.200 175.200 176.923 -1.723 18520
626 1 4 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.256 -0.056 18520
627 1 4 . 1 1 15 15 PHE CB C 15 39.000 39.000 39.042 -0.042 18520
628 1 4 . 1 1 15 15 PHE H H 15 7.770 7.770 8.170 -0.400 18520
629 1 4 . 1 1 16 16 PHE N N 16 116.500 116.500 118.831 -2.331 18520
630 1 4 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.899 0.021 18520
631 1 4 . 1 1 16 16 PHE C C 16 175.500 175.500 177.175 -1.675 18520
632 1 4 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.659 0.041 18520
633 1 4 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.386 -0.186 18520
634 1 4 . 1 1 16 16 PHE H H 16 7.890 7.890 8.233 -0.343 18520
635 1 4 . 1 1 17 17 LYS N N 17 117.900 117.900 117.414 0.486 18520
636 1 4 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.730 -0.030 18520
637 1 4 . 1 1 17 17 LYS C C 17 175.900 175.900 178.702 -2.802 18520
638 1 4 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.567 0.133 18520
639 1 4 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.203 0.097 18520
640 1 4 . 1 1 17 17 LYS H H 17 8.430 8.430 8.424 0.006 18520
641 1 4 . 1 1 18 18 ASN N N 18 115.200 115.200 116.464 -1.264 18520
642 1 4 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.596 -0.326 18520
643 1 4 . 1 1 18 18 ASN C C 18 173.900 173.900 175.854 -1.954 18520
644 1 4 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.769 -0.269 18520
645 1 4 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.234 0.266 18520
646 1 4 . 1 1 18 18 ASN H H 18 7.460 7.460 8.143 -0.683 18520
647 1 4 . 1 1 19 19 ILE N N 19 117.600 117.600 117.661 -0.061 18520
648 1 4 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.849 -0.169 18520
649 1 4 . 1 1 19 19 ILE C C 19 173.800 173.800 177.176 -3.376 18520
650 1 4 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.315 -0.415 18520
651 1 4 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.892 -1.092 18520
652 1 4 . 1 1 19 19 ILE H H 19 7.170 7.170 7.294 -0.124 18520
653 1 4 . 1 1 20 20 VAL N N 20 113.300 113.300 115.214 -1.914 18520
654 1 4 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.967 -0.027 18520
655 1 4 . 1 1 20 20 VAL C C 20 173.400 173.400 176.276 -2.876 18520
656 1 4 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.485 -1.285 18520
657 1 4 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.046 -0.046 18520
658 1 4 . 1 1 20 20 VAL H H 20 7.210 7.210 7.409 -0.199 18520
659 1 4 . 1 1 21 21 THR N N 21 117.300 117.300 111.545 5.755 18520
660 1 4 . 1 1 21 21 THR HA H 21 4.320 4.320 4.774 -0.454 18520
661 1 4 . 1 1 21 21 THR C C 21 180.100 180.100 171.938 8.162 18520
662 1 4 . 1 1 21 21 THR CA C 21 58.200 58.200 58.473 -0.273 18520
663 1 4 . 1 1 21 21 THR CB C 21 69.500 69.500 70.033 -0.533 18520
664 1 4 . 1 1 21 21 THR H H 21 7.600 7.600 7.573 0.027 18520
665 1 4 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.297 -0.057 18520
666 1 4 . 1 1 22 22 PRO C C 22 174.800 174.800 177.069 -2.269 18520
667 1 4 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.821 -0.021 18520
668 1 4 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.186 -0.486 18520
669 1 4 . 1 1 23 23 ARG N N 23 121.500 121.500 120.721 0.779 18520
670 1 4 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.271 -0.111 18520
671 1 4 . 1 1 23 23 ARG C C 23 174.200 174.200 176.629 -2.429 18520
672 1 4 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.159 -1.359 18520
673 1 4 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.979 0.621 18520
674 1 4 . 1 1 23 23 ARG H H 23 8.440 8.440 8.459 -0.019 18520
675 1 4 . 1 1 24 24 THR N N 24 118.500 118.500 121.850 -3.350 18520
676 1 4 . 1 1 24 24 THR HA H 24 4.360 4.360 4.786 -0.426 18520
677 1 4 . 1 1 24 24 THR C C 24 180.200 180.200 172.971 7.229 18520
678 1 4 . 1 1 24 24 THR CA C 24 59.700 59.700 59.702 -0.002 18520
679 1 4 . 1 1 24 24 THR CB C 24 69.600 69.600 69.972 -0.372 18520
680 1 4 . 1 1 24 24 THR H H 24 8.150 8.150 8.909 -0.759 18520
681 1 4 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.500 -0.010 18520
682 1 4 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.049 -0.849 18520
683 1 4 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.139 -0.639 18520
684 1 4 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.689 -0.169 18520
685 1 4 . 1 1 26 26 PRO CA C 26 61.100 61.100 60.807 0.293 18520
686 1 4 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.325 -0.825 18520
687 1 4 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.841 -0.591 18520
688 1 4 . 1 1 27 27 PRO C C 27 175.000 175.000 177.409 -2.409 18520
689 1 4 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.163 -0.363 18520
690 1 4 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.984 -0.284 18520
691 1 4 . 1 1 28 28 SER N N 28 115.800 115.800 117.035 -1.235 18520
692 1 4 . 1 1 28 28 SER HA H 28 4.210 4.210 4.462 -0.252 18520
693 1 4 . 1 1 28 28 SER C C 28 172.600 172.600 174.988 -2.388 18520
694 1 4 . 1 1 28 28 SER CA C 28 58.100 58.100 57.872 0.228 18520
695 1 4 . 1 1 28 28 SER CB C 28 63.400 63.400 63.986 -0.586 18520
696 1 4 . 1 1 28 28 SER H H 28 8.300 8.300 8.536 -0.236 18520
697 1 4 . 1 1 29 29 GLN N N 29 122.000 122.000 120.602 1.398 18520
698 1 4 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.283 -0.103 18520
699 1 4 . 1 1 29 29 GLN C C 29 174.200 174.200 176.949 -2.749 18520
700 1 4 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.104 -1.404 18520
701 1 4 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.155 -0.056 18520
702 1 4 . 1 1 29 29 GLN H H 29 8.360 8.360 8.623 -0.263 18520
703 1 4 . 1 1 30 30 GLY N N 30 109.900 109.900 110.624 -0.724 18520
704 1 4 . 1 1 30 30 GLY C C 30 172.000 172.000 175.025 -3.025 18520
705 1 4 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.242 -0.242 18520
706 1 4 . 1 1 30 30 GLY H H 30 8.310 8.310 8.740 -0.430 18520
707 1 4 . 1 1 31 31 LYS N N 31 120.800 120.800 120.372 0.428 18520
708 1 4 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.539 -0.399 18520
709 1 4 . 1 1 31 31 LYS C C 31 175.100 175.100 177.345 -2.245 18520
710 1 4 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.546 0.554 18520
711 1 4 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.339 -0.639 18520
712 1 4 . 1 1 31 31 LYS H H 31 8.180 8.180 8.015 0.165 18520
713 1 4 . 1 1 32 32 GLY N N 32 109.900 109.900 108.139 1.761 18520
714 1 4 . 1 1 32 32 GLY C C 32 171.900 171.900 175.399 -3.499 18520
715 1 4 . 1 1 32 32 GLY CA C 32 45.000 45.000 45.082 -0.082 18520
716 1 4 . 1 1 32 32 GLY H H 32 8.390 8.390 8.170 0.220 18520
717 1 4 . 1 1 33 33 ARG N N 33 120.600 120.600 122.459 -1.859 18520
718 1 4 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.183 -0.043 18520
719 1 4 . 1 1 33 33 ARG C C 33 174.800 174.800 177.913 -3.113 18520
720 1 4 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.470 -2.570 18520
721 1 4 . 1 1 33 33 ARG CB C 33 30.300 30.300 29.895 0.405 18520
722 1 4 . 1 1 33 33 ARG H H 33 8.190 8.190 8.278 -0.088 18520
723 1 4 . 1 1 34 34 GLY N N 34 110.000 110.000 107.290 2.710 18520
724 1 4 . 1 1 34 34 GLY C C 34 171.900 171.900 175.242 -3.342 18520
725 1 4 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.377 -1.377 18520
726 1 4 . 1 1 34 34 GLY H H 34 8.400 8.400 8.798 -0.398 18520
727 1 4 . 1 1 35 35 LEU N N 35 121.800 121.800 120.975 0.825 18520
728 1 4 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.350 -0.120 18520
729 1 4 . 1 1 35 35 LEU C C 35 174.600 174.600 178.070 -3.470 18520
730 1 4 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.487 -0.687 18520
731 1 4 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.068 0.132 18520
732 1 4 . 1 1 35 35 LEU H H 35 8.050 8.050 7.430 0.620 18520
733 1 5 . 1 1 2 2 GLN N N 2 122.100 122.100 121.915 0.185 18520
734 1 5 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.434 -0.314 18520
735 1 5 . 1 1 2 2 GLN C C 2 173.600 173.600 176.267 -2.667 18520
736 1 5 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.088 -0.388 18520
737 1 5 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.354 -0.153 18520
738 1 5 . 1 1 2 2 GLN H H 2 8.340 8.340 8.203 0.137 18520
739 1 5 . 1 1 3 3 HIS N N 3 120.300 120.300 119.813 0.487 18520
740 1 5 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.728 -0.238 18520
741 1 5 . 1 1 3 3 HIS C C 3 173.400 173.400 175.235 -1.835 18520
742 1 5 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.338 0.362 18520
743 1 5 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.370 -0.570 18520
744 1 5 . 1 1 3 3 HIS H H 3 8.440 8.440 8.444 -0.004 18520
745 1 5 . 1 1 4 4 GLY N N 4 110.300 110.300 109.710 0.590 18520
746 1 5 . 1 1 4 4 GLY C C 4 171.900 171.900 174.805 -2.905 18520
747 1 5 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.416 -0.416 18520
748 1 5 . 1 1 4 4 GLY H H 4 8.370 8.370 8.753 -0.383 18520
749 1 5 . 1 1 5 5 ARG N N 5 120.800 120.800 121.312 -0.512 18520
750 1 5 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.507 -0.267 18520
751 1 5 . 1 1 5 5 ARG C C 5 174.700 174.700 176.085 -1.385 18520
752 1 5 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.125 -0.325 18520
753 1 5 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.759 -0.259 18520
754 1 5 . 1 1 5 5 ARG H H 5 8.240 8.240 8.271 -0.031 18520
755 1 5 . 1 1 6 6 THR N N 6 116.100 116.100 114.599 1.501 18520
756 1 5 . 1 1 6 6 THR HA H 6 4.120 4.120 4.554 -0.434 18520
757 1 5 . 1 1 6 6 THR C C 6 172.600 172.600 173.325 -0.725 18520
758 1 5 . 1 1 6 6 THR CA C 6 61.900 61.900 60.050 1.850 18520
759 1 5 . 1 1 6 6 THR CB C 6 69.500 69.500 70.912 -1.413 18520
760 1 5 . 1 1 6 6 THR H H 6 8.240 8.240 8.340 -0.100 18520
761 1 5 . 1 1 7 7 GLN N N 7 122.000 122.000 120.388 1.612 18520
762 1 5 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.289 -0.169 18520
763 1 5 . 1 1 7 7 GLN C C 7 173.400 173.400 175.106 -1.706 18520
764 1 5 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.694 0.106 18520
765 1 5 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.651 -0.351 18520
766 1 5 . 1 1 7 7 GLN H H 7 8.390 8.390 8.566 -0.176 18520
767 1 5 . 1 1 8 8 ASP N N 8 121.400 121.400 128.550 -7.150 18520
768 1 5 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.669 -0.289 18520
769 1 5 . 1 1 8 8 ASP C C 8 173.700 173.700 176.123 -2.423 18520
770 1 5 . 1 1 8 8 ASP CA C 8 54.300 54.300 53.973 0.327 18520
771 1 5 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.098 -0.298 18520
772 1 5 . 1 1 8 8 ASP H H 8 8.180 8.180 8.679 -0.499 18520
773 1 5 . 1 1 9 9 GLU N N 9 120.600 120.600 125.843 -5.243 18520
774 1 5 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.277 -0.137 18520
775 1 5 . 1 1 9 9 GLU C C 9 173.700 173.700 176.154 -2.454 18520
776 1 5 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.615 -1.015 18520
777 1 5 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.694 0.106 18520
778 1 5 . 1 1 9 9 GLU H H 9 8.050 8.050 8.503 -0.453 18520
779 1 5 . 1 1 10 10 ASN N N 10 124.100 124.100 122.966 1.134 18520
780 1 5 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.923 -0.243 18520
781 1 5 . 1 1 10 10 ASN C C 10 172.400 172.400 175.275 -2.875 18520
782 1 5 . 1 1 10 10 ASN CA C 10 51.900 51.900 50.431 1.469 18520
783 1 5 . 1 1 10 10 ASN CB C 10 39.400 39.400 39.015 0.385 18520
784 1 5 . 1 1 10 10 ASN H H 10 8.950 8.950 8.618 0.332 18520
785 1 5 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.343 -0.093 18520
786 1 5 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.476 -0.476 18520
787 1 5 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.130 0.270 18520
788 1 5 . 1 1 12 12 VAL N N 12 119.100 119.100 117.340 1.760 18520
789 1 5 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.761 -0.161 18520
790 1 5 . 1 1 12 12 VAL C C 12 175.300 175.300 178.026 -2.726 18520
791 1 5 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.681 -0.381 18520
792 1 5 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.659 -0.559 18520
793 1 5 . 1 1 12 12 VAL H H 12 8.190 8.190 8.826 -0.636 18520
794 1 5 . 1 1 13 13 VAL N N 13 120.000 120.000 120.573 -0.573 18520
795 1 5 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.699 -0.229 18520
796 1 5 . 1 1 13 13 VAL C C 13 175.400 175.400 177.831 -2.431 18520
797 1 5 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.393 0.407 18520
798 1 5 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.611 -0.111 18520
799 1 5 . 1 1 13 13 VAL H H 13 7.430 7.430 7.764 -0.334 18520
800 1 5 . 1 1 14 14 HIS N N 14 116.900 116.900 120.616 -3.716 18520
801 1 5 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.273 -0.353 18520
802 1 5 . 1 1 14 14 HIS C C 14 174.400 174.400 176.837 -2.437 18520
803 1 5 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.826 -0.126 18520
804 1 5 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.856 -0.556 18520
805 1 5 . 1 1 14 14 HIS H H 14 8.320 8.320 8.376 -0.056 18520
806 1 5 . 1 1 15 15 PHE N N 15 118.600 118.600 120.462 -1.862 18520
807 1 5 . 1 1 15 15 PHE HA H 15 3.970 3.970 3.949 0.021 18520
808 1 5 . 1 1 15 15 PHE C C 15 175.200 175.200 177.049 -1.849 18520
809 1 5 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.508 -0.308 18520
810 1 5 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.830 0.170 18520
811 1 5 . 1 1 15 15 PHE H H 15 7.770 7.770 8.451 -0.681 18520
812 1 5 . 1 1 16 16 PHE N N 16 116.500 116.500 119.808 -3.308 18520
813 1 5 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.843 0.077 18520
814 1 5 . 1 1 16 16 PHE C C 16 175.500 175.500 177.124 -1.624 18520
815 1 5 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.914 -0.214 18520
816 1 5 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.191 0.010 18520
817 1 5 . 1 1 16 16 PHE H H 16 7.890 7.890 8.479 -0.589 18520
818 1 5 . 1 1 17 17 LYS N N 17 117.900 117.900 118.732 -0.832 18520
819 1 5 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.785 -0.085 18520
820 1 5 . 1 1 17 17 LYS C C 17 175.900 175.900 179.051 -3.151 18520
821 1 5 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.191 0.509 18520
822 1 5 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.239 0.061 18520
823 1 5 . 1 1 17 17 LYS H H 17 8.430 8.430 8.373 0.057 18520
824 1 5 . 1 1 18 18 ASN N N 18 115.200 115.200 117.405 -2.205 18520
825 1 5 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.309 -0.039 18520
826 1 5 . 1 1 18 18 ASN C C 18 173.900 173.900 176.984 -3.084 18520
827 1 5 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.332 -0.832 18520
828 1 5 . 1 1 18 18 ASN CB C 18 38.500 38.500 37.977 0.523 18520
829 1 5 . 1 1 18 18 ASN H H 18 7.460 7.460 7.858 -0.398 18520
830 1 5 . 1 1 19 19 ILE N N 19 117.600 117.600 118.439 -0.839 18520
831 1 5 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.700 -0.020 18520
832 1 5 . 1 1 19 19 ILE C C 19 173.800 173.800 176.767 -2.967 18520
833 1 5 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.723 -0.823 18520
834 1 5 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.195 -0.395 18520
835 1 5 . 1 1 19 19 ILE H H 19 7.170 7.170 7.274 -0.104 18520
836 1 5 . 1 1 20 20 VAL N N 20 113.300 113.300 118.261 -4.961 18520
837 1 5 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.794 0.146 18520
838 1 5 . 1 1 20 20 VAL C C 20 173.400 173.400 176.210 -2.810 18520
839 1 5 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.965 -1.765 18520
840 1 5 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.321 -0.321 18520
841 1 5 . 1 1 20 20 VAL H H 20 7.210 7.210 7.552 -0.342 18520
842 1 5 . 1 1 21 21 THR N N 21 117.300 117.300 117.405 -0.105 18520
843 1 5 . 1 1 21 21 THR HA H 21 4.320 4.320 4.491 -0.171 18520
844 1 5 . 1 1 21 21 THR C C 21 180.100 180.100 172.638 7.462 18520
845 1 5 . 1 1 21 21 THR CA C 21 58.200 58.200 60.561 -2.361 18520
846 1 5 . 1 1 21 21 THR CB C 21 69.500 69.500 69.117 0.383 18520
847 1 5 . 1 1 21 21 THR H H 21 7.600 7.600 7.561 0.039 18520
848 1 5 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.432 -0.192 18520
849 1 5 . 1 1 22 22 PRO C C 22 174.800 174.800 176.867 -2.067 18520
850 1 5 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.253 -0.453 18520
851 1 5 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.392 -0.692 18520
852 1 5 . 1 1 23 23 ARG N N 23 121.500 121.500 118.085 3.415 18520
853 1 5 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.074 0.086 18520
854 1 5 . 1 1 23 23 ARG C C 23 174.200 174.200 175.574 -1.374 18520
855 1 5 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.862 -1.062 18520
856 1 5 . 1 1 23 23 ARG CB C 23 30.600 30.600 28.222 2.378 18520
857 1 5 . 1 1 23 23 ARG H H 23 8.440 8.440 8.607 -0.167 18520
858 1 5 . 1 1 24 24 THR N N 24 118.500 118.500 116.034 2.466 18520
859 1 5 . 1 1 24 24 THR HA H 24 4.360 4.360 4.519 -0.159 18520
860 1 5 . 1 1 24 24 THR C C 24 180.200 180.200 173.456 6.744 18520
861 1 5 . 1 1 24 24 THR CA C 24 59.700 59.700 60.728 -1.028 18520
862 1 5 . 1 1 24 24 THR CB C 24 69.600 69.600 69.590 0.010 18520
863 1 5 . 1 1 24 24 THR H H 24 8.150 8.150 8.211 -0.061 18520
864 1 5 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.701 -0.211 18520
865 1 5 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.271 -0.071 18520
866 1 5 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.152 -0.652 18520
867 1 5 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.320 0.200 18520
868 1 5 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.240 -1.140 18520
869 1 5 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.137 -0.637 18520
870 1 5 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.475 -0.225 18520
871 1 5 . 1 1 27 27 PRO C C 27 175.000 175.000 176.315 -1.315 18520
872 1 5 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.431 0.369 18520
873 1 5 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.293 -0.593 18520
874 1 5 . 1 1 28 28 SER N N 28 115.800 115.800 119.132 -3.332 18520
875 1 5 . 1 1 28 28 SER HA H 28 4.210 4.210 4.617 -0.407 18520
876 1 5 . 1 1 28 28 SER C C 28 172.600 172.600 174.102 -1.502 18520
877 1 5 . 1 1 28 28 SER CA C 28 58.100 58.100 58.339 -0.239 18520
878 1 5 . 1 1 28 28 SER CB C 28 63.400 63.400 64.680 -1.280 18520
879 1 5 . 1 1 28 28 SER H H 28 8.300 8.300 8.942 -0.642 18520
880 1 5 . 1 1 29 29 GLN N N 29 122.000 122.000 120.986 1.014 18520
881 1 5 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.650 -0.470 18520
882 1 5 . 1 1 29 29 GLN C C 29 174.200 174.200 176.660 -2.460 18520
883 1 5 . 1 1 29 29 GLN CA C 29 55.700 55.700 53.714 1.986 18520
884 1 5 . 1 1 29 29 GLN CB C 29 29.100 29.100 32.770 -3.670 18520
885 1 5 . 1 1 29 29 GLN H H 29 8.360 8.360 8.630 -0.270 18520
886 1 5 . 1 1 30 30 GLY N N 30 109.900 109.900 107.550 2.350 18520
887 1 5 . 1 1 30 30 GLY C C 30 172.000 172.000 173.276 -1.276 18520
888 1 5 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.081 0.919 18520
889 1 5 . 1 1 30 30 GLY H H 30 8.310 8.310 8.332 -0.022 18520
890 1 5 . 1 1 31 31 LYS N N 31 120.800 120.800 120.007 0.793 18520
891 1 5 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.233 -0.093 18520
892 1 5 . 1 1 31 31 LYS C C 31 175.100 175.100 176.757 -1.657 18520
893 1 5 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.013 -0.913 18520
894 1 5 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.649 0.051 18520
895 1 5 . 1 1 31 31 LYS H H 31 8.180 8.180 8.241 -0.061 18520
896 1 5 . 1 1 32 32 GLY N N 32 109.900 109.900 112.210 -2.310 18520
897 1 5 . 1 1 32 32 GLY C C 32 171.900 171.900 173.163 -1.263 18520
898 1 5 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.447 0.553 18520
899 1 5 . 1 1 32 32 GLY H H 32 8.390 8.390 8.437 -0.047 18520
900 1 5 . 1 1 33 33 ARG N N 33 120.600 120.600 121.382 -0.782 18520
901 1 5 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.652 -0.512 18520
902 1 5 . 1 1 33 33 ARG C C 33 174.800 174.800 177.264 -2.464 18520
903 1 5 . 1 1 33 33 ARG CA C 33 55.900 55.900 55.409 0.491 18520
904 1 5 . 1 1 33 33 ARG CB C 33 30.300 30.300 32.282 -1.982 18520
905 1 5 . 1 1 33 33 ARG H H 33 8.190 8.190 8.628 -0.438 18520
906 1 5 . 1 1 34 34 GLY N N 34 110.000 110.000 115.317 -5.317 18520
907 1 5 . 1 1 34 34 GLY C C 34 171.900 171.900 174.841 -2.941 18520
908 1 5 . 1 1 34 34 GLY CA C 34 45.000 45.000 47.082 -2.082 18520
909 1 5 . 1 1 34 34 GLY H H 34 8.400 8.400 9.159 -0.759 18520
910 1 5 . 1 1 35 35 LEU N N 35 121.800 121.800 120.640 1.160 18520
911 1 5 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.450 -0.220 18520
912 1 5 . 1 1 35 35 LEU C C 35 174.600 174.600 177.873 -3.273 18520
913 1 5 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.919 -0.119 18520
914 1 5 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.077 0.124 18520
915 1 5 . 1 1 35 35 LEU H H 35 8.050 8.050 7.864 0.186 18520
916 1 6 . 1 1 2 2 GLN N N 2 122.100 122.100 126.058 -3.958 18520
917 1 6 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.346 -0.226 18520
918 1 6 . 1 1 2 2 GLN C C 2 173.600 173.600 175.947 -2.347 18520
919 1 6 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.761 -0.061 18520
920 1 6 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.813 -0.613 18520
921 1 6 . 1 1 2 2 GLN H H 2 8.340 8.340 8.544 -0.204 18520
922 1 6 . 1 1 3 3 HIS N N 3 120.300 120.300 119.594 0.706 18520
923 1 6 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.373 0.117 18520
924 1 6 . 1 1 3 3 HIS C C 3 173.400 173.400 175.139 -1.739 18520
925 1 6 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.237 -0.537 18520
926 1 6 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.732 -0.932 18520
927 1 6 . 1 1 3 3 HIS H H 3 8.440 8.440 8.245 0.195 18520
928 1 6 . 1 1 4 4 GLY N N 4 110.300 110.300 107.239 3.061 18520
929 1 6 . 1 1 4 4 GLY C C 4 171.900 171.900 172.770 -0.870 18520
930 1 6 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.266 0.734 18520
931 1 6 . 1 1 4 4 GLY H H 4 8.370 8.370 8.719 -0.349 18520
932 1 6 . 1 1 5 5 ARG N N 5 120.800 120.800 119.572 1.228 18520
933 1 6 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.541 -0.301 18520
934 1 6 . 1 1 5 5 ARG C C 5 174.700 174.700 177.468 -2.768 18520
935 1 6 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.735 0.065 18520
936 1 6 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.480 -0.980 18520
937 1 6 . 1 1 5 5 ARG H H 5 8.240 8.240 8.668 -0.428 18520
938 1 6 . 1 1 6 6 THR N N 6 116.100 116.100 122.845 -6.745 18520
939 1 6 . 1 1 6 6 THR HA H 6 4.120 4.120 4.168 -0.048 18520
940 1 6 . 1 1 6 6 THR C C 6 172.600 172.600 176.841 -4.241 18520
941 1 6 . 1 1 6 6 THR CA C 6 61.900 61.900 66.156 -4.256 18520
942 1 6 . 1 1 6 6 THR CB C 6 69.500 69.500 68.908 0.592 18520
943 1 6 . 1 1 6 6 THR H H 6 8.240 8.240 8.767 -0.527 18520
944 1 6 . 1 1 7 7 GLN N N 7 122.000 122.000 120.808 1.192 18520
945 1 6 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.207 -0.087 18520
946 1 6 . 1 1 7 7 GLN C C 7 173.400 173.400 176.549 -3.149 18520
947 1 6 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.477 -2.677 18520
948 1 6 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.121 1.179 18520
949 1 6 . 1 1 7 7 GLN H H 7 8.390 8.390 8.426 -0.036 18520
950 1 6 . 1 1 8 8 ASP N N 8 121.400 121.400 117.026 4.374 18520
951 1 6 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.609 -0.229 18520
952 1 6 . 1 1 8 8 ASP C C 8 173.700 173.700 176.656 -2.956 18520
953 1 6 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.927 -1.627 18520
954 1 6 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.386 -0.586 18520
955 1 6 . 1 1 8 8 ASP H H 8 8.180 8.180 7.917 0.263 18520
956 1 6 . 1 1 9 9 GLU N N 9 120.600 120.600 118.464 2.136 18520
957 1 6 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.498 -0.358 18520
958 1 6 . 1 1 9 9 GLU C C 9 173.700 173.700 175.218 -1.518 18520
959 1 6 . 1 1 9 9 GLU CA C 9 55.600 55.600 54.980 0.620 18520
960 1 6 . 1 1 9 9 GLU CB C 9 30.800 30.800 32.714 -1.914 18520
961 1 6 . 1 1 9 9 GLU H H 9 8.050 8.050 8.220 -0.170 18520
962 1 6 . 1 1 10 10 ASN N N 10 124.100 124.100 120.986 3.114 18520
963 1 6 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.786 -0.106 18520
964 1 6 . 1 1 10 10 ASN C C 10 172.400 172.400 175.451 -3.051 18520
965 1 6 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.142 -0.242 18520
966 1 6 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.872 1.528 18520
967 1 6 . 1 1 10 10 ASN H H 10 8.950 8.950 8.642 0.308 18520
968 1 6 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.577 -0.327 18520
969 1 6 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.522 -0.522 18520
970 1 6 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.081 0.319 18520
971 1 6 . 1 1 12 12 VAL N N 12 119.100 119.100 119.458 -0.358 18520
972 1 6 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.852 -0.252 18520
973 1 6 . 1 1 12 12 VAL C C 12 175.300 175.300 178.406 -3.106 18520
974 1 6 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.025 0.275 18520
975 1 6 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.355 -0.254 18520
976 1 6 . 1 1 12 12 VAL H H 12 8.190 8.190 7.975 0.215 18520
977 1 6 . 1 1 13 13 VAL N N 13 120.000 120.000 120.366 -0.366 18520
978 1 6 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.632 -0.162 18520
979 1 6 . 1 1 13 13 VAL C C 13 175.400 175.400 178.083 -2.683 18520
980 1 6 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.066 0.734 18520
981 1 6 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.301 0.199 18520
982 1 6 . 1 1 13 13 VAL H H 13 7.430 7.430 7.860 -0.430 18520
983 1 6 . 1 1 14 14 HIS N N 14 116.900 116.900 118.320 -1.420 18520
984 1 6 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.347 -0.427 18520
985 1 6 . 1 1 14 14 HIS C C 14 174.400 174.400 177.710 -3.310 18520
986 1 6 . 1 1 14 14 HIS CA C 14 59.700 59.700 58.903 0.797 18520
987 1 6 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.410 -0.110 18520
988 1 6 . 1 1 14 14 HIS H H 14 8.320 8.320 8.051 0.269 18520
989 1 6 . 1 1 15 15 PHE N N 15 118.600 118.600 121.854 -3.254 18520
990 1 6 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.079 -0.109 18520
991 1 6 . 1 1 15 15 PHE C C 15 175.200 175.200 176.895 -1.695 18520
992 1 6 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.324 -0.124 18520
993 1 6 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.680 0.320 18520
994 1 6 . 1 1 15 15 PHE H H 15 7.770 7.770 8.299 -0.529 18520
995 1 6 . 1 1 16 16 PHE N N 16 116.500 116.500 119.119 -2.619 18520
996 1 6 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.849 0.071 18520
997 1 6 . 1 1 16 16 PHE C C 16 175.500 175.500 177.145 -1.645 18520
998 1 6 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.714 -0.014 18520
999 1 6 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.290 -0.090 18520
1000 1 6 . 1 1 16 16 PHE H H 16 7.890 7.890 8.059 -0.169 18520
1001 1 6 . 1 1 17 17 LYS N N 17 117.900 117.900 118.059 -0.159 18520
1002 1 6 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.804 -0.104 18520
1003 1 6 . 1 1 17 17 LYS C C 17 175.900 175.900 178.773 -2.873 18520
1004 1 6 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.482 0.218 18520
1005 1 6 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.278 0.022 18520
1006 1 6 . 1 1 17 17 LYS H H 17 8.430 8.430 8.089 0.341 18520
1007 1 6 . 1 1 18 18 ASN N N 18 115.200 115.200 116.464 -1.264 18520
1008 1 6 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.582 -0.312 18520
1009 1 6 . 1 1 18 18 ASN C C 18 173.900 173.900 176.089 -2.189 18520
1010 1 6 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.845 -0.345 18520
1011 1 6 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.276 0.224 18520
1012 1 6 . 1 1 18 18 ASN H H 18 7.460 7.460 8.119 -0.659 18520
1013 1 6 . 1 1 19 19 ILE N N 19 117.600 117.600 117.975 -0.375 18520
1014 1 6 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.813 -0.133 18520
1015 1 6 . 1 1 19 19 ILE C C 19 173.800 173.800 177.210 -3.410 18520
1016 1 6 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.536 -0.636 18520
1017 1 6 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.642 -0.842 18520
1018 1 6 . 1 1 19 19 ILE H H 19 7.170 7.170 7.287 -0.117 18520
1019 1 6 . 1 1 20 20 VAL N N 20 113.300 113.300 113.677 -0.377 18520
1020 1 6 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.042 -0.102 18520
1021 1 6 . 1 1 20 20 VAL C C 20 173.400 173.400 176.173 -2.773 18520
1022 1 6 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.252 -1.052 18520
1023 1 6 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.225 -0.225 18520
1024 1 6 . 1 1 20 20 VAL H H 20 7.210 7.210 7.315 -0.105 18520
1025 1 6 . 1 1 21 21 THR N N 21 117.300 117.300 118.467 -1.167 18520
1026 1 6 . 1 1 21 21 THR HA H 21 4.320 4.320 4.765 -0.445 18520
1027 1 6 . 1 1 21 21 THR C C 21 180.100 180.100 172.230 7.870 18520
1028 1 6 . 1 1 21 21 THR CA C 21 58.200 58.200 59.174 -0.974 18520
1029 1 6 . 1 1 21 21 THR CB C 21 69.500 69.500 70.215 -0.715 18520
1030 1 6 . 1 1 21 21 THR H H 21 7.600 7.600 7.789 -0.189 18520
1031 1 6 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.497 -0.257 18520
1032 1 6 . 1 1 22 22 PRO C C 22 174.800 174.800 176.967 -2.167 18520
1033 1 6 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.473 0.327 18520
1034 1 6 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.481 -0.781 18520
1035 1 6 . 1 1 23 23 ARG N N 23 121.500 121.500 119.869 1.631 18520
1036 1 6 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.279 -0.119 18520
1037 1 6 . 1 1 23 23 ARG C C 23 174.200 174.200 176.466 -2.266 18520
1038 1 6 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.559 -1.759 18520
1039 1 6 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.772 0.828 18520
1040 1 6 . 1 1 23 23 ARG H H 23 8.440 8.440 8.609 -0.169 18520
1041 1 6 . 1 1 24 24 THR N N 24 118.500 118.500 116.532 1.968 18520
1042 1 6 . 1 1 24 24 THR HA H 24 4.360 4.360 4.630 -0.270 18520
1043 1 6 . 1 1 24 24 THR C C 24 180.200 180.200 172.042 8.158 18520
1044 1 6 . 1 1 24 24 THR CA C 24 59.700 59.700 58.005 1.695 18520
1045 1 6 . 1 1 24 24 THR CB C 24 69.600 69.600 70.061 -0.461 18520
1046 1 6 . 1 1 24 24 THR H H 24 8.150 8.150 8.132 0.018 18520
1047 1 6 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.377 0.113 18520
1048 1 6 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.088 -0.888 18520
1049 1 6 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.730 -0.230 18520
1050 1 6 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.583 -0.063 18520
1051 1 6 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.178 -0.079 18520
1052 1 6 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.466 -0.966 18520
1053 1 6 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.525 -0.275 18520
1054 1 6 . 1 1 27 27 PRO C C 27 175.000 175.000 177.081 -2.081 18520
1055 1 6 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.394 0.406 18520
1056 1 6 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.622 -0.922 18520
1057 1 6 . 1 1 28 28 SER N N 28 115.800 115.800 115.503 0.297 18520
1058 1 6 . 1 1 28 28 SER HA H 28 4.210 4.210 4.294 -0.084 18520
1059 1 6 . 1 1 28 28 SER C C 28 172.600 172.600 175.185 -2.585 18520
1060 1 6 . 1 1 28 28 SER CA C 28 58.100 58.100 58.018 0.082 18520
1061 1 6 . 1 1 28 28 SER CB C 28 63.400 63.400 63.908 -0.508 18520
1062 1 6 . 1 1 28 28 SER H H 28 8.300 8.300 8.407 -0.107 18520
1063 1 6 . 1 1 29 29 GLN N N 29 122.000 122.000 124.023 -2.023 18520
1064 1 6 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.152 0.028 18520
1065 1 6 . 1 1 29 29 GLN C C 29 174.200 174.200 176.419 -2.219 18520
1066 1 6 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.636 -0.936 18520
1067 1 6 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.176 -0.076 18520
1068 1 6 . 1 1 29 29 GLN H H 29 8.360 8.360 8.468 -0.108 18520
1069 1 6 . 1 1 30 30 GLY N N 30 109.900 109.900 115.155 -5.255 18520
1070 1 6 . 1 1 30 30 GLY C C 30 172.000 172.000 174.313 -2.313 18520
1071 1 6 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.366 -0.366 18520
1072 1 6 . 1 1 30 30 GLY H H 30 8.310 8.310 8.717 -0.407 18520
1073 1 6 . 1 1 31 31 LYS N N 31 120.800 120.800 120.940 -0.140 18520
1074 1 6 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.484 -0.344 18520
1075 1 6 . 1 1 31 31 LYS C C 31 175.100 175.100 177.177 -2.077 18520
1076 1 6 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.184 0.915 18520
1077 1 6 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.707 -1.007 18520
1078 1 6 . 1 1 31 31 LYS H H 31 8.180 8.180 7.955 0.225 18520
1079 1 6 . 1 1 32 32 GLY N N 32 109.900 109.900 108.389 1.511 18520
1080 1 6 . 1 1 32 32 GLY C C 32 171.900 171.900 174.276 -2.376 18520
1081 1 6 . 1 1 32 32 GLY CA C 32 45.000 45.000 43.860 1.140 18520
1082 1 6 . 1 1 32 32 GLY H H 32 8.390 8.390 8.442 -0.052 18520
1083 1 6 . 1 1 33 33 ARG N N 33 120.600 120.600 120.056 0.544 18520
1084 1 6 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.320 -0.180 18520
1085 1 6 . 1 1 33 33 ARG C C 33 174.800 174.800 176.390 -1.590 18520
1086 1 6 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.535 -0.635 18520
1087 1 6 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.548 -0.248 18520
1088 1 6 . 1 1 33 33 ARG H H 33 8.190 8.190 8.537 -0.347 18520
1089 1 6 . 1 1 34 34 GLY N N 34 110.000 110.000 106.560 3.440 18520
1090 1 6 . 1 1 34 34 GLY C C 34 171.900 171.900 174.013 -2.113 18520
1091 1 6 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.228 -0.228 18520
1092 1 6 . 1 1 34 34 GLY H H 34 8.400 8.400 8.287 0.113 18520
1093 1 6 . 1 1 35 35 LEU N N 35 121.800 121.800 119.136 2.664 18520
1094 1 6 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.583 -0.353 18520
1095 1 6 . 1 1 35 35 LEU C C 35 174.600 174.600 176.878 -2.278 18520
1096 1 6 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.139 0.660 18520
1097 1 6 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.883 -0.683 18520
1098 1 6 . 1 1 35 35 LEU H H 35 8.050 8.050 7.965 0.085 18520
1099 1 7 . 1 1 2 2 GLN N N 2 122.100 122.100 126.178 -4.078 18520
1100 1 7 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.290 -0.170 18520
1101 1 7 . 1 1 2 2 GLN C C 2 173.600 173.600 174.846 -1.246 18520
1102 1 7 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.056 0.644 18520
1103 1 7 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.636 -0.436 18520
1104 1 7 . 1 1 2 2 GLN H H 2 8.340 8.340 8.401 -0.061 18520
1105 1 7 . 1 1 3 3 HIS N N 3 120.300 120.300 124.671 -4.371 18520
1106 1 7 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.710 -0.220 18520
1107 1 7 . 1 1 3 3 HIS C C 3 173.400 173.400 175.298 -1.898 18520
1108 1 7 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.059 0.641 18520
1109 1 7 . 1 1 3 3 HIS CB C 3 29.800 29.800 33.065 -3.265 18520
1110 1 7 . 1 1 3 3 HIS H H 3 8.440 8.440 8.396 0.044 18520
1111 1 7 . 1 1 4 4 GLY N N 4 110.300 110.300 107.931 2.369 18520
1112 1 7 . 1 1 4 4 GLY C C 4 171.900 171.900 174.824 -2.924 18520
1113 1 7 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.635 0.365 18520
1114 1 7 . 1 1 4 4 GLY H H 4 8.370 8.370 8.668 -0.298 18520
1115 1 7 . 1 1 5 5 ARG N N 5 120.800 120.800 120.228 0.572 18520
1116 1 7 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.200 0.040 18520
1117 1 7 . 1 1 5 5 ARG C C 5 174.700 174.700 177.174 -2.474 18520
1118 1 7 . 1 1 5 5 ARG CA C 5 55.800 55.800 58.267 -2.467 18520
1119 1 7 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.388 0.112 18520
1120 1 7 . 1 1 5 5 ARG H H 5 8.240 8.240 8.689 -0.449 18520
1121 1 7 . 1 1 6 6 THR N N 6 116.100 116.100 107.879 8.221 18520
1122 1 7 . 1 1 6 6 THR HA H 6 4.120 4.120 4.360 -0.240 18520
1123 1 7 . 1 1 6 6 THR C C 6 172.600 172.600 175.020 -2.420 18520
1124 1 7 . 1 1 6 6 THR CA C 6 61.900 61.900 62.601 -0.701 18520
1125 1 7 . 1 1 6 6 THR CB C 6 69.500 69.500 69.447 0.053 18520
1126 1 7 . 1 1 6 6 THR H H 6 8.240 8.240 7.747 0.493 18520
1127 1 7 . 1 1 7 7 GLN N N 7 122.000 122.000 118.238 3.762 18520
1128 1 7 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.476 -0.356 18520
1129 1 7 . 1 1 7 7 GLN C C 7 173.400 173.400 175.058 -1.658 18520
1130 1 7 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.424 0.376 18520
1131 1 7 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.734 0.566 18520
1132 1 7 . 1 1 7 7 GLN H H 7 8.390 8.390 7.939 0.451 18520
1133 1 7 . 1 1 8 8 ASP N N 8 121.400 121.400 121.208 0.192 18520
1134 1 7 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.404 -0.024 18520
1135 1 7 . 1 1 8 8 ASP C C 8 173.700 173.700 176.033 -2.333 18520
1136 1 7 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.548 -0.249 18520
1137 1 7 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.017 -0.217 18520
1138 1 7 . 1 1 8 8 ASP H H 8 8.180 8.180 7.582 0.598 18520
1139 1 7 . 1 1 9 9 GLU N N 9 120.600 120.600 124.298 -3.698 18520
1140 1 7 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.109 0.031 18520
1141 1 7 . 1 1 9 9 GLU C C 9 173.700 173.700 176.014 -2.314 18520
1142 1 7 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.284 -0.684 18520
1143 1 7 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.633 0.167 18520
1144 1 7 . 1 1 9 9 GLU H H 9 8.050 8.050 8.327 -0.277 18520
1145 1 7 . 1 1 10 10 ASN N N 10 124.100 124.100 122.431 1.669 18520
1146 1 7 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.657 0.023 18520
1147 1 7 . 1 1 10 10 ASN C C 10 172.400 172.400 175.253 -2.853 18520
1148 1 7 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.350 -0.450 18520
1149 1 7 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.429 0.971 18520
1150 1 7 . 1 1 10 10 ASN H H 10 8.950 8.950 8.516 0.434 18520
1151 1 7 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.265 -0.015 18520
1152 1 7 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.592 -0.592 18520
1153 1 7 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.070 0.330 18520
1154 1 7 . 1 1 12 12 VAL N N 12 119.100 119.100 118.265 0.835 18520
1155 1 7 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.767 -0.167 18520
1156 1 7 . 1 1 12 12 VAL C C 12 175.300 175.300 178.085 -2.785 18520
1157 1 7 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.939 -0.638 18520
1158 1 7 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.600 -0.500 18520
1159 1 7 . 1 1 12 12 VAL H H 12 8.190 8.190 8.556 -0.366 18520
1160 1 7 . 1 1 13 13 VAL N N 13 120.000 120.000 120.111 -0.111 18520
1161 1 7 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.743 -0.273 18520
1162 1 7 . 1 1 13 13 VAL C C 13 175.400 175.400 178.074 -2.674 18520
1163 1 7 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.278 0.521 18520
1164 1 7 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.483 0.017 18520
1165 1 7 . 1 1 13 13 VAL H H 13 7.430 7.430 7.842 -0.412 18520
1166 1 7 . 1 1 14 14 HIS N N 14 116.900 116.900 120.271 -3.371 18520
1167 1 7 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.301 -0.381 18520
1168 1 7 . 1 1 14 14 HIS C C 14 174.400 174.400 177.091 -2.691 18520
1169 1 7 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.780 -0.080 18520
1170 1 7 . 1 1 14 14 HIS CB C 14 29.300 29.300 30.008 -0.708 18520
1171 1 7 . 1 1 14 14 HIS H H 14 8.320 8.320 8.858 -0.538 18520
1172 1 7 . 1 1 15 15 PHE N N 15 118.600 118.600 120.795 -2.195 18520
1173 1 7 . 1 1 15 15 PHE HA H 15 3.970 3.970 3.987 -0.017 18520
1174 1 7 . 1 1 15 15 PHE C C 15 175.200 175.200 177.044 -1.844 18520
1175 1 7 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.511 -0.311 18520
1176 1 7 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.822 0.178 18520
1177 1 7 . 1 1 15 15 PHE H H 15 7.770 7.770 8.375 -0.605 18520
1178 1 7 . 1 1 16 16 PHE N N 16 116.500 116.500 119.566 -3.066 18520
1179 1 7 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.827 0.093 18520
1180 1 7 . 1 1 16 16 PHE C C 16 175.500 175.500 177.008 -1.508 18520
1181 1 7 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.752 -0.052 18520
1182 1 7 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.193 0.007 18520
1183 1 7 . 1 1 16 16 PHE H H 16 7.890 7.890 8.301 -0.411 18520
1184 1 7 . 1 1 17 17 LYS N N 17 117.900 117.900 118.465 -0.565 18520
1185 1 7 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.688 0.012 18520
1186 1 7 . 1 1 17 17 LYS C C 17 175.900 175.900 178.877 -2.977 18520
1187 1 7 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.592 0.108 18520
1188 1 7 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.092 0.208 18520
1189 1 7 . 1 1 17 17 LYS H H 17 8.430 8.430 8.221 0.209 18520
1190 1 7 . 1 1 18 18 ASN N N 18 115.200 115.200 117.123 -1.923 18520
1191 1 7 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.289 -0.019 18520
1192 1 7 . 1 1 18 18 ASN C C 18 173.900 173.900 177.149 -3.249 18520
1193 1 7 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.676 -1.177 18520
1194 1 7 . 1 1 18 18 ASN CB C 18 38.500 38.500 37.991 0.509 18520
1195 1 7 . 1 1 18 18 ASN H H 18 7.460 7.460 7.928 -0.468 18520
1196 1 7 . 1 1 19 19 ILE N N 19 117.600 117.600 118.786 -1.186 18520
1197 1 7 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.650 0.030 18520
1198 1 7 . 1 1 19 19 ILE C C 19 173.800 173.800 177.328 -3.528 18520
1199 1 7 . 1 1 19 19 ILE CA C 19 62.900 62.900 64.079 -1.179 18520
1200 1 7 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.066 -0.266 18520
1201 1 7 . 1 1 19 19 ILE H H 19 7.170 7.170 7.132 0.038 18520
1202 1 7 . 1 1 20 20 VAL N N 20 113.300 113.300 113.033 0.267 18520
1203 1 7 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.998 -0.058 18520
1204 1 7 . 1 1 20 20 VAL C C 20 173.400 173.400 176.257 -2.857 18520
1205 1 7 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.438 -1.238 18520
1206 1 7 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.465 -0.465 18520
1207 1 7 . 1 1 20 20 VAL H H 20 7.210 7.210 7.326 -0.116 18520
1208 1 7 . 1 1 21 21 THR N N 21 117.300 117.300 117.884 -0.584 18520
1209 1 7 . 1 1 21 21 THR HA H 21 4.320 4.320 4.679 -0.359 18520
1210 1 7 . 1 1 21 21 THR C C 21 180.100 180.100 172.513 7.587 18520
1211 1 7 . 1 1 21 21 THR CA C 21 58.200 58.200 58.907 -0.707 18520
1212 1 7 . 1 1 21 21 THR CB C 21 69.500 69.500 69.413 0.087 18520
1213 1 7 . 1 1 21 21 THR H H 21 7.600 7.600 7.766 -0.166 18520
1214 1 7 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.261 -0.021 18520
1215 1 7 . 1 1 22 22 PRO C C 22 174.800 174.800 177.213 -2.413 18520
1216 1 7 . 1 1 22 22 PRO CA C 22 62.800 62.800 64.604 -1.804 18520
1217 1 7 . 1 1 22 22 PRO CB C 22 31.700 31.700 31.961 -0.261 18520
1218 1 7 . 1 1 23 23 ARG N N 23 121.500 121.500 115.661 5.839 18520
1219 1 7 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.593 -0.433 18520
1220 1 7 . 1 1 23 23 ARG C C 23 174.200 174.200 175.872 -1.672 18520
1221 1 7 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.045 0.755 18520
1222 1 7 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.704 0.896 18520
1223 1 7 . 1 1 23 23 ARG H H 23 8.440 8.440 7.930 0.510 18520
1224 1 7 . 1 1 24 24 THR N N 24 118.500 118.500 118.113 0.387 18520
1225 1 7 . 1 1 24 24 THR HA H 24 4.360 4.360 4.344 0.016 18520
1226 1 7 . 1 1 24 24 THR C C 24 180.200 180.200 173.735 6.465 18520
1227 1 7 . 1 1 24 24 THR CA C 24 59.700 59.700 60.818 -1.118 18520
1228 1 7 . 1 1 24 24 THR CB C 24 69.600 69.600 69.806 -0.206 18520
1229 1 7 . 1 1 24 24 THR H H 24 8.150 8.150 7.472 0.678 18520
1230 1 7 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.715 -0.225 18520
1231 1 7 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.506 -0.306 18520
1232 1 7 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.235 -0.735 18520
1233 1 7 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.590 -0.070 18520
1234 1 7 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.231 -0.132 18520
1235 1 7 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.841 -0.341 18520
1236 1 7 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.275 -0.025 18520
1237 1 7 . 1 1 27 27 PRO C C 27 175.000 175.000 176.874 -1.874 18520
1238 1 7 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.319 -0.519 18520
1239 1 7 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.571 0.129 18520
1240 1 7 . 1 1 28 28 SER N N 28 115.800 115.800 118.326 -2.526 18520
1241 1 7 . 1 1 28 28 SER HA H 28 4.210 4.210 4.556 -0.346 18520
1242 1 7 . 1 1 28 28 SER C C 28 172.600 172.600 174.407 -1.807 18520
1243 1 7 . 1 1 28 28 SER CA C 28 58.100 58.100 58.947 -0.847 18520
1244 1 7 . 1 1 28 28 SER CB C 28 63.400 63.400 64.166 -0.766 18520
1245 1 7 . 1 1 28 28 SER H H 28 8.300 8.300 8.041 0.259 18520
1246 1 7 . 1 1 29 29 GLN N N 29 122.000 122.000 123.020 -1.020 18520
1247 1 7 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.562 -0.382 18520
1248 1 7 . 1 1 29 29 GLN C C 29 174.200 174.200 175.767 -1.567 18520
1249 1 7 . 1 1 29 29 GLN CA C 29 55.700 55.700 55.757 -0.056 18520
1250 1 7 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.710 -1.610 18520
1251 1 7 . 1 1 29 29 GLN H H 29 8.360 8.360 8.512 -0.152 18520
1252 1 7 . 1 1 30 30 GLY N N 30 109.900 109.900 109.044 0.856 18520
1253 1 7 . 1 1 30 30 GLY C C 30 172.000 172.000 174.429 -2.429 18520
1254 1 7 . 1 1 30 30 GLY CA C 30 45.000 45.000 43.720 1.280 18520
1255 1 7 . 1 1 30 30 GLY H H 30 8.310 8.310 8.512 -0.202 18520
1256 1 7 . 1 1 31 31 LYS N N 31 120.800 120.800 119.875 0.925 18520
1257 1 7 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.257 -0.117 18520
1258 1 7 . 1 1 31 31 LYS C C 31 175.100 175.100 177.088 -1.988 18520
1259 1 7 . 1 1 31 31 LYS CA C 31 56.100 56.100 56.718 -0.618 18520
1260 1 7 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.350 0.350 18520
1261 1 7 . 1 1 31 31 LYS H H 31 8.180 8.180 8.496 -0.316 18520
1262 1 7 . 1 1 32 32 GLY N N 32 109.900 109.900 109.041 0.859 18520
1263 1 7 . 1 1 32 32 GLY C C 32 171.900 171.900 173.787 -1.887 18520
1264 1 7 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.295 0.705 18520
1265 1 7 . 1 1 32 32 GLY H H 32 8.390 8.390 7.693 0.697 18520
1266 1 7 . 1 1 33 33 ARG N N 33 120.600 120.600 119.146 1.454 18520
1267 1 7 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.335 -0.195 18520
1268 1 7 . 1 1 33 33 ARG C C 33 174.800 174.800 177.860 -3.060 18520
1269 1 7 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.067 -0.167 18520
1270 1 7 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.936 -0.636 18520
1271 1 7 . 1 1 33 33 ARG H H 33 8.190 8.190 8.250 -0.060 18520
1272 1 7 . 1 1 34 34 GLY N N 34 110.000 110.000 109.975 0.025 18520
1273 1 7 . 1 1 34 34 GLY C C 34 171.900 171.900 174.561 -2.661 18520
1274 1 7 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.640 -1.640 18520
1275 1 7 . 1 1 34 34 GLY H H 34 8.400 8.400 8.889 -0.489 18520
1276 1 7 . 1 1 35 35 LEU N N 35 121.800 121.800 119.233 2.567 18520
1277 1 7 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.487 -0.257 18520
1278 1 7 . 1 1 35 35 LEU C C 35 174.600 174.600 177.412 -2.812 18520
1279 1 7 . 1 1 35 35 LEU CA C 35 54.800 54.800 53.849 0.951 18520
1280 1 7 . 1 1 35 35 LEU CB C 35 42.200 42.200 41.856 0.344 18520
1281 1 7 . 1 1 35 35 LEU H H 35 8.050 8.050 7.725 0.325 18520
1282 1 8 . 1 1 2 2 GLN N N 2 122.100 122.100 123.226 -1.126 18520
1283 1 8 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.318 -0.198 18520
1284 1 8 . 1 1 2 2 GLN C C 2 173.600 173.600 175.354 -1.754 18520
1285 1 8 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.440 0.261 18520
1286 1 8 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.519 -0.319 18520
1287 1 8 . 1 1 2 2 GLN H H 2 8.340 8.340 8.106 0.234 18520
1288 1 8 . 1 1 3 3 HIS N N 3 120.300 120.300 125.184 -4.884 18520
1289 1 8 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.526 -0.036 18520
1290 1 8 . 1 1 3 3 HIS C C 3 173.400 173.400 175.299 -1.899 18520
1291 1 8 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.758 -1.058 18520
1292 1 8 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.504 -1.704 18520
1293 1 8 . 1 1 3 3 HIS H H 3 8.440 8.440 8.801 -0.361 18520
1294 1 8 . 1 1 4 4 GLY N N 4 110.300 110.300 113.778 -3.478 18520
1295 1 8 . 1 1 4 4 GLY C C 4 171.900 171.900 172.755 -0.855 18520
1296 1 8 . 1 1 4 4 GLY CA C 4 45.000 45.000 43.975 1.025 18520
1297 1 8 . 1 1 4 4 GLY H H 4 8.370 8.370 8.307 0.063 18520
1298 1 8 . 1 1 5 5 ARG N N 5 120.800 120.800 119.906 0.894 18520
1299 1 8 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.569 -0.329 18520
1300 1 8 . 1 1 5 5 ARG C C 5 174.700 174.700 177.929 -3.229 18520
1301 1 8 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.610 0.190 18520
1302 1 8 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.706 -1.206 18520
1303 1 8 . 1 1 5 5 ARG H H 5 8.240 8.240 8.591 -0.351 18520
1304 1 8 . 1 1 6 6 THR N N 6 116.100 116.100 120.913 -4.813 18520
1305 1 8 . 1 1 6 6 THR HA H 6 4.120 4.120 4.211 -0.091 18520
1306 1 8 . 1 1 6 6 THR C C 6 172.600 172.600 176.954 -4.354 18520
1307 1 8 . 1 1 6 6 THR CA C 6 61.900 61.900 66.373 -4.473 18520
1308 1 8 . 1 1 6 6 THR CB C 6 69.500 69.500 68.821 0.679 18520
1309 1 8 . 1 1 6 6 THR H H 6 8.240 8.240 9.044 -0.804 18520
1310 1 8 . 1 1 7 7 GLN N N 7 122.000 122.000 119.296 2.704 18520
1311 1 8 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.195 -0.075 18520
1312 1 8 . 1 1 7 7 GLN C C 7 173.400 173.400 176.562 -3.162 18520
1313 1 8 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.301 -2.501 18520
1314 1 8 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.277 1.023 18520
1315 1 8 . 1 1 7 7 GLN H H 7 8.390 8.390 8.586 -0.196 18520
1316 1 8 . 1 1 8 8 ASP N N 8 121.400 121.400 117.938 3.462 18520
1317 1 8 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.592 -0.212 18520
1318 1 8 . 1 1 8 8 ASP C C 8 173.700 173.700 176.996 -3.296 18520
1319 1 8 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.521 -1.221 18520
1320 1 8 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.989 -0.189 18520
1321 1 8 . 1 1 8 8 ASP H H 8 8.180 8.180 8.234 -0.054 18520
1322 1 8 . 1 1 9 9 GLU N N 9 120.600 120.600 119.107 1.493 18520
1323 1 8 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.415 -0.275 18520
1324 1 8 . 1 1 9 9 GLU C C 9 173.700 173.700 176.110 -2.410 18520
1325 1 8 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.249 0.351 18520
1326 1 8 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.429 0.371 18520
1327 1 8 . 1 1 9 9 GLU H H 9 8.050 8.050 8.327 -0.277 18520
1328 1 8 . 1 1 10 10 ASN N N 10 124.100 124.100 120.141 3.959 18520
1329 1 8 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.857 -0.177 18520
1330 1 8 . 1 1 10 10 ASN C C 10 172.400 172.400 175.414 -3.014 18520
1331 1 8 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.562 0.338 18520
1332 1 8 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.919 1.481 18520
1333 1 8 . 1 1 10 10 ASN H H 10 8.950 8.950 8.483 0.467 18520
1334 1 8 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.612 -0.362 18520
1335 1 8 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.621 -0.621 18520
1336 1 8 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.099 0.301 18520
1337 1 8 . 1 1 12 12 VAL N N 12 119.100 119.100 119.459 -0.359 18520
1338 1 8 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.893 -0.293 18520
1339 1 8 . 1 1 12 12 VAL C C 12 175.300 175.300 178.390 -3.090 18520
1340 1 8 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.947 0.353 18520
1341 1 8 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.420 -0.320 18520
1342 1 8 . 1 1 12 12 VAL H H 12 8.190 8.190 7.995 0.195 18520
1343 1 8 . 1 1 13 13 VAL N N 13 120.000 120.000 120.795 -0.795 18520
1344 1 8 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.612 -0.142 18520
1345 1 8 . 1 1 13 13 VAL C C 13 175.400 175.400 178.004 -2.604 18520
1346 1 8 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.093 0.707 18520
1347 1 8 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.238 0.262 18520
1348 1 8 . 1 1 13 13 VAL H H 13 7.430 7.430 7.871 -0.441 18520
1349 1 8 . 1 1 14 14 HIS N N 14 116.900 116.900 118.626 -1.726 18520
1350 1 8 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.211 -0.291 18520
1351 1 8 . 1 1 14 14 HIS C C 14 174.400 174.400 177.786 -3.386 18520
1352 1 8 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.366 0.334 18520
1353 1 8 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.504 -0.204 18520
1354 1 8 . 1 1 14 14 HIS H H 14 8.320 8.320 8.266 0.054 18520
1355 1 8 . 1 1 15 15 PHE N N 15 118.600 118.600 120.972 -2.372 18520
1356 1 8 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.116 -0.146 18520
1357 1 8 . 1 1 15 15 PHE C C 15 175.200 175.200 177.258 -2.058 18520
1358 1 8 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.442 -0.242 18520
1359 1 8 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.923 0.077 18520
1360 1 8 . 1 1 15 15 PHE H H 15 7.770 7.770 8.287 -0.517 18520
1361 1 8 . 1 1 16 16 PHE N N 16 116.500 116.500 119.236 -2.736 18520
1362 1 8 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.876 0.044 18520
1363 1 8 . 1 1 16 16 PHE C C 16 175.500 175.500 177.229 -1.729 18520
1364 1 8 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.945 -0.245 18520
1365 1 8 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.228 -0.028 18520
1366 1 8 . 1 1 16 16 PHE H H 16 7.890 7.890 8.468 -0.578 18520
1367 1 8 . 1 1 17 17 LYS N N 17 117.900 117.900 118.127 -0.227 18520
1368 1 8 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.761 -0.061 18520
1369 1 8 . 1 1 17 17 LYS C C 17 175.900 175.900 179.111 -3.211 18520
1370 1 8 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.551 0.149 18520
1371 1 8 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.163 0.136 18520
1372 1 8 . 1 1 17 17 LYS H H 17 8.430 8.430 8.288 0.142 18520
1373 1 8 . 1 1 18 18 ASN N N 18 115.200 115.200 115.982 -0.782 18520
1374 1 8 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.517 -0.247 18520
1375 1 8 . 1 1 18 18 ASN C C 18 173.900 173.900 175.529 -1.629 18520
1376 1 8 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.071 -0.570 18520
1377 1 8 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.105 0.395 18520
1378 1 8 . 1 1 18 18 ASN H H 18 7.460 7.460 7.911 -0.451 18520
1379 1 8 . 1 1 19 19 ILE N N 19 117.600 117.600 117.240 0.360 18520
1380 1 8 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.868 -0.188 18520
1381 1 8 . 1 1 19 19 ILE C C 19 173.800 173.800 177.135 -3.335 18520
1382 1 8 . 1 1 19 19 ILE CA C 19 62.900 62.900 61.924 0.976 18520
1383 1 8 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.298 -0.498 18520
1384 1 8 . 1 1 19 19 ILE H H 19 7.170 7.170 7.254 -0.084 18520
1385 1 8 . 1 1 20 20 VAL N N 20 113.300 113.300 113.322 -0.022 18520
1386 1 8 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.001 -0.061 18520
1387 1 8 . 1 1 20 20 VAL C C 20 173.400 173.400 176.143 -2.743 18520
1388 1 8 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.142 -0.942 18520
1389 1 8 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.439 -0.439 18520
1390 1 8 . 1 1 20 20 VAL H H 20 7.210 7.210 7.460 -0.250 18520
1391 1 8 . 1 1 21 21 THR N N 21 117.300 117.300 112.134 5.166 18520
1392 1 8 . 1 1 21 21 THR HA H 21 4.320 4.320 4.749 -0.429 18520
1393 1 8 . 1 1 21 21 THR C C 21 180.100 180.100 171.995 8.105 18520
1394 1 8 . 1 1 21 21 THR CA C 21 58.200 58.200 58.469 -0.269 18520
1395 1 8 . 1 1 21 21 THR CB C 21 69.500 69.500 69.895 -0.395 18520
1396 1 8 . 1 1 21 21 THR H H 21 7.600 7.600 7.700 -0.100 18520
1397 1 8 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.322 -0.082 18520
1398 1 8 . 1 1 22 22 PRO C C 22 174.800 174.800 177.024 -2.224 18520
1399 1 8 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.078 -0.278 18520
1400 1 8 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.064 -0.364 18520
1401 1 8 . 1 1 23 23 ARG N N 23 121.500 121.500 124.540 -3.040 18520
1402 1 8 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.210 -0.050 18520
1403 1 8 . 1 1 23 23 ARG C C 23 174.200 174.200 176.258 -2.058 18520
1404 1 8 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.473 -1.673 18520
1405 1 8 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.031 0.569 18520
1406 1 8 . 1 1 23 23 ARG H H 23 8.440 8.440 8.597 -0.157 18520
1407 1 8 . 1 1 24 24 THR N N 24 118.500 118.500 122.793 -4.293 18520
1408 1 8 . 1 1 24 24 THR HA H 24 4.360 4.360 4.546 -0.186 18520
1409 1 8 . 1 1 24 24 THR C C 24 180.200 180.200 172.210 7.990 18520
1410 1 8 . 1 1 24 24 THR CA C 24 59.700 59.700 59.165 0.535 18520
1411 1 8 . 1 1 24 24 THR CB C 24 69.600 69.600 69.890 -0.290 18520
1412 1 8 . 1 1 24 24 THR H H 24 8.150 8.150 8.127 0.023 18520
1413 1 8 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.387 0.103 18520
1414 1 8 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.971 -0.771 18520
1415 1 8 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.104 -0.604 18520
1416 1 8 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.121 0.399 18520
1417 1 8 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.009 -0.909 18520
1418 1 8 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.594 -1.094 18520
1419 1 8 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.487 -0.237 18520
1420 1 8 . 1 1 27 27 PRO C C 27 175.000 175.000 176.860 -1.860 18520
1421 1 8 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.557 0.243 18520
1422 1 8 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.746 -1.046 18520
1423 1 8 . 1 1 28 28 SER N N 28 115.800 115.800 116.449 -0.649 18520
1424 1 8 . 1 1 28 28 SER HA H 28 4.210 4.210 4.415 -0.205 18520
1425 1 8 . 1 1 28 28 SER C C 28 172.600 172.600 174.551 -1.951 18520
1426 1 8 . 1 1 28 28 SER CA C 28 58.100 58.100 57.755 0.345 18520
1427 1 8 . 1 1 28 28 SER CB C 28 63.400 63.400 64.059 -0.659 18520
1428 1 8 . 1 1 28 28 SER H H 28 8.300 8.300 8.413 -0.113 18520
1429 1 8 . 1 1 29 29 GLN N N 29 122.000 122.000 120.999 1.001 18520
1430 1 8 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.226 -0.046 18520
1431 1 8 . 1 1 29 29 GLN C C 29 174.200 174.200 177.066 -2.866 18520
1432 1 8 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.359 -1.659 18520
1433 1 8 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.971 0.129 18520
1434 1 8 . 1 1 29 29 GLN H H 29 8.360 8.360 8.579 -0.219 18520
1435 1 8 . 1 1 30 30 GLY N N 30 109.900 109.900 109.653 0.247 18520
1436 1 8 . 1 1 30 30 GLY C C 30 172.000 172.000 174.505 -2.505 18520
1437 1 8 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.830 0.170 18520
1438 1 8 . 1 1 30 30 GLY H H 30 8.310 8.310 8.733 -0.423 18520
1439 1 8 . 1 1 31 31 LYS N N 31 120.800 120.800 122.004 -1.204 18520
1440 1 8 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.634 -0.494 18520
1441 1 8 . 1 1 31 31 LYS C C 31 175.100 175.100 176.920 -1.820 18520
1442 1 8 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.050 1.050 18520
1443 1 8 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.445 -0.745 18520
1444 1 8 . 1 1 31 31 LYS H H 31 8.180 8.180 7.581 0.599 18520
1445 1 8 . 1 1 32 32 GLY N N 32 109.900 109.900 108.696 1.204 18520
1446 1 8 . 1 1 32 32 GLY C C 32 171.900 171.900 174.850 -2.950 18520
1447 1 8 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.404 0.596 18520
1448 1 8 . 1 1 32 32 GLY H H 32 8.390 8.390 8.570 -0.180 18520
1449 1 8 . 1 1 33 33 ARG N N 33 120.600 120.600 120.387 0.213 18520
1450 1 8 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.173 -0.033 18520
1451 1 8 . 1 1 33 33 ARG C C 33 174.800 174.800 178.893 -4.093 18520
1452 1 8 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.870 -2.970 18520
1453 1 8 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.337 -0.037 18520
1454 1 8 . 1 1 33 33 ARG H H 33 8.190 8.190 8.680 -0.490 18520
1455 1 8 . 1 1 34 34 GLY N N 34 110.000 110.000 108.433 1.567 18520
1456 1 8 . 1 1 34 34 GLY C C 34 171.900 171.900 175.425 -3.525 18520
1457 1 8 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.170 -1.170 18520
1458 1 8 . 1 1 34 34 GLY H H 34 8.400 8.400 8.738 -0.338 18520
1459 1 8 . 1 1 35 35 LEU N N 35 121.800 121.800 120.823 0.977 18520
1460 1 8 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.248 -0.018 18520
1461 1 8 . 1 1 35 35 LEU C C 35 174.600 174.600 177.802 -3.202 18520
1462 1 8 . 1 1 35 35 LEU CA C 35 54.800 54.800 56.026 -1.226 18520
1463 1 8 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.322 -0.122 18520
1464 1 8 . 1 1 35 35 LEU H H 35 8.050 8.050 7.646 0.404 18520
1465 1 9 . 1 1 2 2 GLN N N 2 122.100 122.100 121.943 0.157 18520
1466 1 9 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.324 -0.204 18520
1467 1 9 . 1 1 2 2 GLN C C 2 173.600 173.600 176.001 -2.401 18520
1468 1 9 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.254 -0.554 18520
1469 1 9 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.415 -0.215 18520
1470 1 9 . 1 1 2 2 GLN H H 2 8.340 8.340 8.287 0.053 18520
1471 1 9 . 1 1 3 3 HIS N N 3 120.300 120.300 121.520 -1.220 18520
1472 1 9 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.606 -0.116 18520
1473 1 9 . 1 1 3 3 HIS C C 3 173.400 173.400 174.710 -1.310 18520
1474 1 9 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.765 -0.065 18520
1475 1 9 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.588 -0.788 18520
1476 1 9 . 1 1 3 3 HIS H H 3 8.440 8.440 8.233 0.207 18520
1477 1 9 . 1 1 4 4 GLY N N 4 110.300 110.300 107.787 2.513 18520
1478 1 9 . 1 1 4 4 GLY C C 4 171.900 171.900 173.584 -1.684 18520
1479 1 9 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.426 0.574 18520
1480 1 9 . 1 1 4 4 GLY H H 4 8.370 8.370 9.102 -0.732 18520
1481 1 9 . 1 1 5 5 ARG N N 5 120.800 120.800 118.665 2.135 18520
1482 1 9 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.242 -0.002 18520
1483 1 9 . 1 1 5 5 ARG C C 5 174.700 174.700 178.022 -3.322 18520
1484 1 9 . 1 1 5 5 ARG CA C 5 55.800 55.800 57.190 -1.389 18520
1485 1 9 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.948 -0.448 18520
1486 1 9 . 1 1 5 5 ARG H H 5 8.240 8.240 8.576 -0.336 18520
1487 1 9 . 1 1 6 6 THR N N 6 116.100 116.100 115.936 0.164 18520
1488 1 9 . 1 1 6 6 THR HA H 6 4.120 4.120 3.985 0.135 18520
1489 1 9 . 1 1 6 6 THR C C 6 172.600 172.600 176.038 -3.438 18520
1490 1 9 . 1 1 6 6 THR CA C 6 61.900 61.900 66.400 -4.500 18520
1491 1 9 . 1 1 6 6 THR CB C 6 69.500 69.500 68.964 0.536 18520
1492 1 9 . 1 1 6 6 THR H H 6 8.240 8.240 8.532 -0.292 18520
1493 1 9 . 1 1 7 7 GLN N N 7 122.000 122.000 119.023 2.977 18520
1494 1 9 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.135 -0.015 18520
1495 1 9 . 1 1 7 7 GLN C C 7 173.400 173.400 177.160 -3.760 18520
1496 1 9 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.508 -2.708 18520
1497 1 9 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.751 0.549 18520
1498 1 9 . 1 1 7 7 GLN H H 7 8.390 8.390 8.335 0.055 18520
1499 1 9 . 1 1 8 8 ASP N N 8 121.400 121.400 117.841 3.559 18520
1500 1 9 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.628 -0.248 18520
1501 1 9 . 1 1 8 8 ASP C C 8 173.700 173.700 175.713 -2.013 18520
1502 1 9 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.630 -1.331 18520
1503 1 9 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.141 -0.341 18520
1504 1 9 . 1 1 8 8 ASP H H 8 8.180 8.180 8.168 0.012 18520
1505 1 9 . 1 1 9 9 GLU N N 9 120.600 120.600 120.067 0.533 18520
1506 1 9 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.486 -0.346 18520
1507 1 9 . 1 1 9 9 GLU C C 9 173.700 173.700 174.787 -1.087 18520
1508 1 9 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.294 0.306 18520
1509 1 9 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.513 -0.713 18520
1510 1 9 . 1 1 9 9 GLU H H 9 8.050 8.050 8.180 -0.130 18520
1511 1 9 . 1 1 10 10 ASN N N 10 124.100 124.100 125.469 -1.369 18520
1512 1 9 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.745 -0.065 18520
1513 1 9 . 1 1 10 10 ASN C C 10 172.400 172.400 175.081 -2.681 18520
1514 1 9 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.172 -0.272 18520
1515 1 9 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.713 1.687 18520
1516 1 9 . 1 1 10 10 ASN H H 10 8.950 8.950 8.805 0.145 18520
1517 1 9 . 1 1 11 11 PRO HA H 11 4.250 4.250 3.839 0.411 18520
1518 1 9 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.668 -0.668 18520
1519 1 9 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.616 0.784 18520
1520 1 9 . 1 1 12 12 VAL N N 12 119.100 119.100 116.116 2.984 18520
1521 1 9 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.633 -0.033 18520
1522 1 9 . 1 1 12 12 VAL C C 12 175.300 175.300 177.979 -2.679 18520
1523 1 9 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.963 0.338 18520
1524 1 9 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.476 -0.376 18520
1525 1 9 . 1 1 12 12 VAL H H 12 8.190 8.190 8.103 0.087 18520
1526 1 9 . 1 1 13 13 VAL N N 13 120.000 120.000 120.340 -0.340 18520
1527 1 9 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.581 -0.111 18520
1528 1 9 . 1 1 13 13 VAL C C 13 175.400 175.400 177.530 -2.130 18520
1529 1 9 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.469 0.331 18520
1530 1 9 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.412 0.088 18520
1531 1 9 . 1 1 13 13 VAL H H 13 7.430 7.430 7.450 -0.020 18520
1532 1 9 . 1 1 14 14 HIS N N 14 116.900 116.900 121.109 -4.209 18520
1533 1 9 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.286 -0.366 18520
1534 1 9 . 1 1 14 14 HIS C C 14 174.400 174.400 177.806 -3.406 18520
1535 1 9 . 1 1 14 14 HIS CA C 14 59.700 59.700 60.056 -0.356 18520
1536 1 9 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.804 -0.504 18520
1537 1 9 . 1 1 14 14 HIS H H 14 8.320 8.320 8.198 0.122 18520
1538 1 9 . 1 1 15 15 PHE N N 15 118.600 118.600 117.971 0.629 18520
1539 1 9 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.162 -0.192 18520
1540 1 9 . 1 1 15 15 PHE C C 15 175.200 175.200 178.087 -2.887 18520
1541 1 9 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.458 1.742 18520
1542 1 9 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.382 1.618 18520
1543 1 9 . 1 1 15 15 PHE H H 15 7.770 7.770 8.134 -0.364 18520
1544 1 9 . 1 1 16 16 PHE N N 16 116.500 116.500 120.474 -3.974 18520
1545 1 9 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.000 -0.080 18520
1546 1 9 . 1 1 16 16 PHE C C 16 175.500 175.500 177.215 -1.715 18520
1547 1 9 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.215 -0.515 18520
1548 1 9 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.221 -0.021 18520
1549 1 9 . 1 1 16 16 PHE H H 16 7.890 7.890 8.558 -0.668 18520
1550 1 9 . 1 1 17 17 LYS N N 17 117.900 117.900 118.560 -0.660 18520
1551 1 9 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.689 0.011 18520
1552 1 9 . 1 1 17 17 LYS C C 17 175.900 175.900 178.862 -2.962 18520
1553 1 9 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.757 -0.057 18520
1554 1 9 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.106 0.194 18520
1555 1 9 . 1 1 17 17 LYS H H 17 8.430 8.430 8.437 -0.007 18520
1556 1 9 . 1 1 18 18 ASN N N 18 115.200 115.200 117.504 -2.304 18520
1557 1 9 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.401 -0.131 18520
1558 1 9 . 1 1 18 18 ASN C C 18 173.900 173.900 177.190 -3.290 18520
1559 1 9 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.785 -1.284 18520
1560 1 9 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.410 0.090 18520
1561 1 9 . 1 1 18 18 ASN H H 18 7.460 7.460 7.951 -0.491 18520
1562 1 9 . 1 1 19 19 ILE N N 19 117.600 117.600 117.806 -0.206 18520
1563 1 9 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.824 -0.144 18520
1564 1 9 . 1 1 19 19 ILE C C 19 173.800 173.800 177.218 -3.418 18520
1565 1 9 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.937 -1.037 18520
1566 1 9 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.601 -0.801 18520
1567 1 9 . 1 1 19 19 ILE H H 19 7.170 7.170 7.408 -0.238 18520
1568 1 9 . 1 1 20 20 VAL N N 20 113.300 113.300 112.913 0.387 18520
1569 1 9 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.010 -0.070 18520
1570 1 9 . 1 1 20 20 VAL C C 20 173.400 173.400 176.091 -2.691 18520
1571 1 9 . 1 1 20 20 VAL CA C 20 62.200 62.200 62.731 -0.531 18520
1572 1 9 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.242 -0.242 18520
1573 1 9 . 1 1 20 20 VAL H H 20 7.210 7.210 7.521 -0.311 18520
1574 1 9 . 1 1 21 21 THR N N 21 117.300 117.300 113.041 4.259 18520
1575 1 9 . 1 1 21 21 THR HA H 21 4.320 4.320 4.729 -0.409 18520
1576 1 9 . 1 1 21 21 THR C C 21 180.100 180.100 172.518 7.582 18520
1577 1 9 . 1 1 21 21 THR CA C 21 58.200 58.200 58.691 -0.491 18520
1578 1 9 . 1 1 21 21 THR CB C 21 69.500 69.500 69.953 -0.453 18520
1579 1 9 . 1 1 21 21 THR H H 21 7.600 7.600 7.744 -0.144 18520
1580 1 9 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.316 -0.076 18520
1581 1 9 . 1 1 22 22 PRO C C 22 174.800 174.800 176.470 -1.670 18520
1582 1 9 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.846 -0.046 18520
1583 1 9 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.270 -0.570 18520
1584 1 9 . 1 1 23 23 ARG N N 23 121.500 121.500 121.004 0.496 18520
1585 1 9 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.126 0.034 18520
1586 1 9 . 1 1 23 23 ARG C C 23 174.200 174.200 177.106 -2.906 18520
1587 1 9 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.460 -1.660 18520
1588 1 9 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.498 1.102 18520
1589 1 9 . 1 1 23 23 ARG H H 23 8.440 8.440 8.548 -0.108 18520
1590 1 9 . 1 1 24 24 THR N N 24 118.500 118.500 118.892 -0.392 18520
1591 1 9 . 1 1 24 24 THR HA H 24 4.360 4.360 4.769 -0.409 18520
1592 1 9 . 1 1 24 24 THR C C 24 180.200 180.200 173.681 6.519 18520
1593 1 9 . 1 1 24 24 THR CA C 24 59.700 59.700 58.850 0.850 18520
1594 1 9 . 1 1 24 24 THR CB C 24 69.600 69.600 69.497 0.103 18520
1595 1 9 . 1 1 24 24 THR H H 24 8.150 8.150 8.899 -0.749 18520
1596 1 9 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.751 -0.261 18520
1597 1 9 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.704 -0.504 18520
1598 1 9 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.705 -0.205 18520
1599 1 9 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.712 -0.192 18520
1600 1 9 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.515 -0.415 18520
1601 1 9 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.950 -0.450 18520
1602 1 9 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.434 -0.184 18520
1603 1 9 . 1 1 27 27 PRO C C 27 175.000 175.000 176.509 -1.509 18520
1604 1 9 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.347 0.453 18520
1605 1 9 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.285 -0.585 18520
1606 1 9 . 1 1 28 28 SER N N 28 115.800 115.800 114.574 1.226 18520
1607 1 9 . 1 1 28 28 SER HA H 28 4.210 4.210 4.431 -0.221 18520
1608 1 9 . 1 1 28 28 SER C C 28 172.600 172.600 175.043 -2.443 18520
1609 1 9 . 1 1 28 28 SER CA C 28 58.100 58.100 57.857 0.243 18520
1610 1 9 . 1 1 28 28 SER CB C 28 63.400 63.400 63.905 -0.505 18520
1611 1 9 . 1 1 28 28 SER H H 28 8.300 8.300 8.133 0.167 18520
1612 1 9 . 1 1 29 29 GLN N N 29 122.000 122.000 120.941 1.059 18520
1613 1 9 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.201 -0.021 18520
1614 1 9 . 1 1 29 29 GLN C C 29 174.200 174.200 175.960 -1.760 18520
1615 1 9 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.365 -0.665 18520
1616 1 9 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.843 0.257 18520
1617 1 9 . 1 1 29 29 GLN H H 29 8.360 8.360 8.633 -0.273 18520
1618 1 9 . 1 1 30 30 GLY N N 30 109.900 109.900 115.239 -5.339 18520
1619 1 9 . 1 1 30 30 GLY C C 30 172.000 172.000 174.649 -2.649 18520
1620 1 9 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.641 -0.641 18520
1621 1 9 . 1 1 30 30 GLY H H 30 8.310 8.310 8.639 -0.329 18520
1622 1 9 . 1 1 31 31 LYS N N 31 120.800 120.800 121.199 -0.399 18520
1623 1 9 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.510 -0.370 18520
1624 1 9 . 1 1 31 31 LYS C C 31 175.100 175.100 177.081 -1.981 18520
1625 1 9 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.486 0.614 18520
1626 1 9 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.375 -0.675 18520
1627 1 9 . 1 1 31 31 LYS H H 31 8.180 8.180 7.944 0.236 18520
1628 1 9 . 1 1 32 32 GLY N N 32 109.900 109.900 109.767 0.133 18520
1629 1 9 . 1 1 32 32 GLY C C 32 171.900 171.900 175.035 -3.135 18520
1630 1 9 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.581 0.419 18520
1631 1 9 . 1 1 32 32 GLY H H 32 8.390 8.390 8.516 -0.126 18520
1632 1 9 . 1 1 33 33 ARG N N 33 120.600 120.600 119.559 1.041 18520
1633 1 9 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.223 -0.083 18520
1634 1 9 . 1 1 33 33 ARG C C 33 174.800 174.800 176.769 -1.969 18520
1635 1 9 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.782 -0.882 18520
1636 1 9 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.375 -0.075 18520
1637 1 9 . 1 1 33 33 ARG H H 33 8.190 8.190 8.361 -0.171 18520
1638 1 9 . 1 1 34 34 GLY N N 34 110.000 110.000 107.310 2.690 18520
1639 1 9 . 1 1 34 34 GLY C C 34 171.900 171.900 174.166 -2.266 18520
1640 1 9 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.147 -0.147 18520
1641 1 9 . 1 1 34 34 GLY H H 34 8.400 8.400 8.045 0.355 18520
1642 1 9 . 1 1 35 35 LEU N N 35 121.800 121.800 119.744 2.056 18520
1643 1 9 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.628 -0.398 18520
1644 1 9 . 1 1 35 35 LEU C C 35 174.600 174.600 176.772 -2.172 18520
1645 1 9 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.264 -0.464 18520
1646 1 9 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.878 -0.678 18520
1647 1 9 . 1 1 35 35 LEU H H 35 8.050 8.050 7.829 0.221 18520
1648 1 10 . 1 1 2 2 GLN N N 2 122.100 122.100 122.727 -0.627 18520
1649 1 10 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.023 0.097 18520
1650 1 10 . 1 1 2 2 GLN C C 2 173.600 173.600 176.027 -2.427 18520
1651 1 10 . 1 1 2 2 GLN CA C 2 55.700 55.700 58.013 -2.313 18520
1652 1 10 . 1 1 2 2 GLN CB C 2 29.200 29.200 28.637 0.563 18520
1653 1 10 . 1 1 2 2 GLN H H 2 8.340 8.340 8.529 -0.189 18520
1654 1 10 . 1 1 3 3 HIS N N 3 120.300 120.300 113.833 6.467 18520
1655 1 10 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.796 -0.306 18520
1656 1 10 . 1 1 3 3 HIS C C 3 173.400 173.400 176.629 -3.229 18520
1657 1 10 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.352 -0.652 18520
1658 1 10 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.743 -0.943 18520
1659 1 10 . 1 1 3 3 HIS H H 3 8.440 8.440 8.193 0.247 18520
1660 1 10 . 1 1 4 4 GLY N N 4 110.300 110.300 109.289 1.011 18520
1661 1 10 . 1 1 4 4 GLY C C 4 171.900 171.900 175.566 -3.666 18520
1662 1 10 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.903 -0.903 18520
1663 1 10 . 1 1 4 4 GLY H H 4 8.370 8.370 8.320 0.050 18520
1664 1 10 . 1 1 5 5 ARG N N 5 120.800 120.800 119.756 1.044 18520
1665 1 10 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.265 -0.025 18520
1666 1 10 . 1 1 5 5 ARG C C 5 174.700 174.700 176.577 -1.877 18520
1667 1 10 . 1 1 5 5 ARG CA C 5 55.800 55.800 57.366 -1.566 18520
1668 1 10 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.773 -0.273 18520
1669 1 10 . 1 1 5 5 ARG H H 5 8.240 8.240 7.675 0.565 18520
1670 1 10 . 1 1 6 6 THR N N 6 116.100 116.100 110.344 5.756 18520
1671 1 10 . 1 1 6 6 THR HA H 6 4.120 4.120 4.391 -0.271 18520
1672 1 10 . 1 1 6 6 THR C C 6 172.600 172.600 173.797 -1.197 18520
1673 1 10 . 1 1 6 6 THR CA C 6 61.900 61.900 60.187 1.713 18520
1674 1 10 . 1 1 6 6 THR CB C 6 69.500 69.500 70.484 -0.984 18520
1675 1 10 . 1 1 6 6 THR H H 6 8.240 8.240 7.556 0.684 18520
1676 1 10 . 1 1 7 7 GLN N N 7 122.000 122.000 120.689 1.311 18520
1677 1 10 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.237 -0.117 18520
1678 1 10 . 1 1 7 7 GLN C C 7 173.400 173.400 175.103 -1.703 18520
1679 1 10 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.351 -0.551 18520
1680 1 10 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.410 -0.110 18520
1681 1 10 . 1 1 7 7 GLN H H 7 8.390 8.390 8.518 -0.128 18520
1682 1 10 . 1 1 8 8 ASP N N 8 121.400 121.400 125.476 -4.076 18520
1683 1 10 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.731 -0.351 18520
1684 1 10 . 1 1 8 8 ASP C C 8 173.700 173.700 176.246 -2.546 18520
1685 1 10 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.830 -0.530 18520
1686 1 10 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.807 -0.007 18520
1687 1 10 . 1 1 8 8 ASP H H 8 8.180 8.180 8.442 -0.262 18520
1688 1 10 . 1 1 9 9 GLU N N 9 120.600 120.600 124.632 -4.032 18520
1689 1 10 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.439 -0.299 18520
1690 1 10 . 1 1 9 9 GLU C C 9 173.700 173.700 176.200 -2.500 18520
1691 1 10 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.573 0.027 18520
1692 1 10 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.765 -0.965 18520
1693 1 10 . 1 1 9 9 GLU H H 9 8.050 8.050 8.692 -0.642 18520
1694 1 10 . 1 1 10 10 ASN N N 10 124.100 124.100 122.067 2.033 18520
1695 1 10 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.852 -0.172 18520
1696 1 10 . 1 1 10 10 ASN C C 10 172.400 172.400 175.089 -2.689 18520
1697 1 10 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.266 0.634 18520
1698 1 10 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.930 1.470 18520
1699 1 10 . 1 1 10 10 ASN H H 10 8.950 8.950 8.719 0.231 18520
1700 1 10 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.080 0.170 18520
1701 1 10 . 1 1 11 11 PRO CA C 11 65.000 65.000 64.695 0.305 18520
1702 1 10 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.916 0.484 18520
1703 1 10 . 1 1 12 12 VAL N N 12 119.100 119.100 117.745 1.355 18520
1704 1 10 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.758 -0.158 18520
1705 1 10 . 1 1 12 12 VAL C C 12 175.300 175.300 177.626 -2.326 18520
1706 1 10 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.242 1.058 18520
1707 1 10 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.666 -0.567 18520
1708 1 10 . 1 1 12 12 VAL H H 12 8.190 8.190 7.656 0.534 18520
1709 1 10 . 1 1 13 13 VAL N N 13 120.000 120.000 120.403 -0.403 18520
1710 1 10 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.542 -0.072 18520
1711 1 10 . 1 1 13 13 VAL C C 13 175.400 175.400 177.852 -2.452 18520
1712 1 10 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.248 0.552 18520
1713 1 10 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.418 0.082 18520
1714 1 10 . 1 1 13 13 VAL H H 13 7.430 7.430 7.216 0.214 18520
1715 1 10 . 1 1 14 14 HIS N N 14 116.900 116.900 118.447 -1.547 18520
1716 1 10 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.453 -0.533 18520
1717 1 10 . 1 1 14 14 HIS C C 14 174.400 174.400 178.177 -3.777 18520
1718 1 10 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.232 0.468 18520
1719 1 10 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.618 -0.318 18520
1720 1 10 . 1 1 14 14 HIS H H 14 8.320 8.320 7.340 0.980 18520
1721 1 10 . 1 1 15 15 PHE N N 15 118.600 118.600 120.350 -1.750 18520
1722 1 10 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.334 -0.364 18520
1723 1 10 . 1 1 15 15 PHE C C 15 175.200 175.200 177.689 -2.489 18520
1724 1 10 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.020 2.180 18520
1725 1 10 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.562 1.438 18520
1726 1 10 . 1 1 15 15 PHE H H 15 7.770 7.770 8.233 -0.463 18520
1727 1 10 . 1 1 16 16 PHE N N 16 116.500 116.500 120.751 -4.251 18520
1728 1 10 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.040 -0.120 18520
1729 1 10 . 1 1 16 16 PHE C C 16 175.500 175.500 177.100 -1.600 18520
1730 1 10 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.283 -0.584 18520
1731 1 10 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.178 0.022 18520
1732 1 10 . 1 1 16 16 PHE H H 16 7.890 7.890 8.732 -0.842 18520
1733 1 10 . 1 1 17 17 LYS N N 17 117.900 117.900 118.166 -0.266 18520
1734 1 10 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.789 -0.089 18520
1735 1 10 . 1 1 17 17 LYS C C 17 175.900 175.900 178.859 -2.959 18520
1736 1 10 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.722 -0.022 18520
1737 1 10 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.136 0.164 18520
1738 1 10 . 1 1 17 17 LYS H H 17 8.430 8.430 8.103 0.327 18520
1739 1 10 . 1 1 18 18 ASN N N 18 115.200 115.200 117.664 -2.464 18520
1740 1 10 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.506 -0.236 18520
1741 1 10 . 1 1 18 18 ASN C C 18 173.900 173.900 176.826 -2.926 18520
1742 1 10 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.848 -1.348 18520
1743 1 10 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.541 -0.041 18520
1744 1 10 . 1 1 18 18 ASN H H 18 7.460 7.460 7.907 -0.447 18520
1745 1 10 . 1 1 19 19 ILE N N 19 117.600 117.600 118.685 -1.085 18520
1746 1 10 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.797 -0.117 18520
1747 1 10 . 1 1 19 19 ILE C C 19 173.800 173.800 177.553 -3.753 18520
1748 1 10 . 1 1 19 19 ILE CA C 19 62.900 62.900 64.199 -1.299 18520
1749 1 10 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.423 -0.623 18520
1750 1 10 . 1 1 19 19 ILE H H 19 7.170 7.170 7.629 -0.459 18520
1751 1 10 . 1 1 20 20 VAL N N 20 113.300 113.300 113.120 0.180 18520
1752 1 10 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.055 -0.115 18520
1753 1 10 . 1 1 20 20 VAL C C 20 173.400 173.400 176.265 -2.865 18520
1754 1 10 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.283 -1.083 18520
1755 1 10 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.338 -0.338 18520
1756 1 10 . 1 1 20 20 VAL H H 20 7.210 7.210 7.551 -0.341 18520
1757 1 10 . 1 1 21 21 THR N N 21 117.300 117.300 118.110 -0.810 18520
1758 1 10 . 1 1 21 21 THR HA H 21 4.320 4.320 4.757 -0.437 18520
1759 1 10 . 1 1 21 21 THR C C 21 180.100 180.100 172.637 7.463 18520
1760 1 10 . 1 1 21 21 THR CA C 21 58.200 58.200 58.736 -0.536 18520
1761 1 10 . 1 1 21 21 THR CB C 21 69.500 69.500 70.333 -0.833 18520
1762 1 10 . 1 1 21 21 THR H H 21 7.600 7.600 7.811 -0.211 18520
1763 1 10 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.362 -0.122 18520
1764 1 10 . 1 1 22 22 PRO C C 22 174.800 174.800 176.725 -1.925 18520
1765 1 10 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.907 -1.107 18520
1766 1 10 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.111 -0.411 18520
1767 1 10 . 1 1 23 23 ARG N N 23 121.500 121.500 120.508 0.992 18520
1768 1 10 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.361 -0.201 18520
1769 1 10 . 1 1 23 23 ARG C C 23 174.200 174.200 176.253 -2.053 18520
1770 1 10 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.810 -0.010 18520
1771 1 10 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.482 0.118 18520
1772 1 10 . 1 1 23 23 ARG H H 23 8.440 8.440 7.806 0.634 18520
1773 1 10 . 1 1 24 24 THR N N 24 118.500 118.500 121.275 -2.775 18520
1774 1 10 . 1 1 24 24 THR HA H 24 4.360 4.360 4.361 -0.001 18520
1775 1 10 . 1 1 24 24 THR C C 24 180.200 180.200 173.799 6.401 18520
1776 1 10 . 1 1 24 24 THR CA C 24 59.700 59.700 61.297 -1.597 18520
1777 1 10 . 1 1 24 24 THR CB C 24 69.600 69.600 69.138 0.462 18520
1778 1 10 . 1 1 24 24 THR H H 24 8.150 8.150 8.278 -0.128 18520
1779 1 10 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.714 -0.224 18520
1780 1 10 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.286 -0.086 18520
1781 1 10 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.247 -0.747 18520
1782 1 10 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.480 0.040 18520
1783 1 10 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.285 -0.185 18520
1784 1 10 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.920 -0.420 18520
1785 1 10 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.229 0.021 18520
1786 1 10 . 1 1 27 27 PRO C C 27 175.000 175.000 175.938 -0.938 18520
1787 1 10 . 1 1 27 27 PRO CA C 27 62.800 62.800 61.967 0.834 18520
1788 1 10 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.641 -0.941 18520
1789 1 10 . 1 1 28 28 SER N N 28 115.800 115.800 116.006 -0.206 18520
1790 1 10 . 1 1 28 28 SER HA H 28 4.210 4.210 4.386 -0.176 18520
1791 1 10 . 1 1 28 28 SER C C 28 172.600 172.600 175.033 -2.433 18520
1792 1 10 . 1 1 28 28 SER CA C 28 58.100 58.100 58.451 -0.351 18520
1793 1 10 . 1 1 28 28 SER CB C 28 63.400 63.400 63.684 -0.284 18520
1794 1 10 . 1 1 28 28 SER H H 28 8.300 8.300 8.288 0.012 18520
1795 1 10 . 1 1 29 29 GLN N N 29 122.000 122.000 127.169 -5.169 18520
1796 1 10 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.195 -0.015 18520
1797 1 10 . 1 1 29 29 GLN C C 29 174.200 174.200 176.526 -2.326 18520
1798 1 10 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.828 -1.128 18520
1799 1 10 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.693 -0.593 18520
1800 1 10 . 1 1 29 29 GLN H H 29 8.360 8.360 8.883 -0.523 18520
1801 1 10 . 1 1 30 30 GLY N N 30 109.900 109.900 110.540 -0.640 18520
1802 1 10 . 1 1 30 30 GLY C C 30 172.000 172.000 173.224 -1.224 18520
1803 1 10 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.623 0.377 18520
1804 1 10 . 1 1 30 30 GLY H H 30 8.310 8.310 8.593 -0.283 18520
1805 1 10 . 1 1 31 31 LYS N N 31 120.800 120.800 123.577 -2.777 18520
1806 1 10 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.129 0.011 18520
1807 1 10 . 1 1 31 31 LYS C C 31 175.100 175.100 177.108 -2.008 18520
1808 1 10 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.567 -1.467 18520
1809 1 10 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.680 0.020 18520
1810 1 10 . 1 1 31 31 LYS H H 31 8.180 8.180 8.746 -0.566 18520
1811 1 10 . 1 1 32 32 GLY N N 32 109.900 109.900 110.854 -0.954 18520
1812 1 10 . 1 1 32 32 GLY C C 32 171.900 171.900 174.370 -2.470 18520
1813 1 10 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.759 0.241 18520
1814 1 10 . 1 1 32 32 GLY H H 32 8.390 8.390 8.636 -0.246 18520
1815 1 10 . 1 1 33 33 ARG N N 33 120.600 120.600 120.701 -0.101 18520
1816 1 10 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.338 -0.198 18520
1817 1 10 . 1 1 33 33 ARG C C 33 174.800 174.800 177.056 -2.256 18520
1818 1 10 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.532 -0.632 18520
1819 1 10 . 1 1 33 33 ARG CB C 33 30.300 30.300 31.147 -0.847 18520
1820 1 10 . 1 1 33 33 ARG H H 33 8.190 8.190 7.683 0.507 18520
1821 1 10 . 1 1 34 34 GLY N N 34 110.000 110.000 113.462 -3.462 18520
1822 1 10 . 1 1 34 34 GLY C C 34 171.900 171.900 174.438 -2.538 18520
1823 1 10 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.766 0.234 18520
1824 1 10 . 1 1 34 34 GLY H H 34 8.400 8.400 8.621 -0.221 18520
1825 1 10 . 1 1 35 35 LEU N N 35 121.800 121.800 120.358 1.442 18520
1826 1 10 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.542 -0.312 18520
1827 1 10 . 1 1 35 35 LEU C C 35 174.600 174.600 177.808 -3.208 18520
1828 1 10 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.248 -0.448 18520
1829 1 10 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.610 -0.410 18520
1830 1 10 . 1 1 35 35 LEU H H 35 8.050 8.050 8.659 -0.609 18520
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 29 2.343 0.764 2.254 18520
2 1 1 "Average Difference" HA 31 0.249 0.167 0.188 18520
3 1 1 "Average Difference" C 31 3.058 1.782 2.526 18520
4 1 1 "Average Difference" CA 34 1.037 0.318 1.002 18520
5 1 1 "Average Difference" CB 30 0.843 0.266 0.813 18520
6 1 1 "Average Difference" HN 29 0.342 0.077 0.339 18520
7 1 2 "Average Difference" N 29 2.419 0.187 2.455 18520
8 1 2 "Average Difference" HA 31 0.282 0.192 0.210 18520
9 1 2 "Average Difference" C 31 3.055 1.796 2.512 18520
10 1 2 "Average Difference" CA 34 0.963 0.224 0.951 18520
11 1 2 "Average Difference" CB 30 0.699 0.168 0.691 18520
12 1 2 "Average Difference" HN 29 0.373 0.129 0.356 18520
13 1 3 "Average Difference" N 29 2.473 0.548 2.454 18520
14 1 3 "Average Difference" HA 31 0.253 0.173 0.187 18520
15 1 3 "Average Difference" C 31 3.033 1.738 2.527 18520
16 1 3 "Average Difference" CA 34 1.002 0.456 0.905 18520
17 1 3 "Average Difference" CB 30 0.691 0.278 0.643 18520
18 1 3 "Average Difference" HN 29 0.342 0.068 0.341 18520
19 1 4 "Average Difference" N 29 2.434 0.382 2.446 18520
20 1 4 "Average Difference" HA 31 0.244 0.181 0.168 18520
21 1 4 "Average Difference" C 31 3.129 1.771 2.621 18520
22 1 4 "Average Difference" CA 34 0.820 0.308 0.771 18520
23 1 4 "Average Difference" CB 30 0.652 0.257 0.609 18520
24 1 4 "Average Difference" HN 29 0.357 0.118 0.343 18520
25 1 5 "Average Difference" N 29 2.753 0.848 2.665 18520
26 1 5 "Average Difference" HA 31 0.244 0.175 0.173 18520
27 1 5 "Average Difference" C 31 2.866 1.595 2.421 18520
28 1 5 "Average Difference" CA 34 0.981 0.211 0.972 18520
29 1 5 "Average Difference" CB 30 1.009 0.334 0.969 18520
30 1 5 "Average Difference" HN 29 0.358 0.224 0.284 18520
31 1 6 "Average Difference" N 29 2.561 0.056 2.606 18520
32 1 6 "Average Difference" HA 31 0.248 0.190 0.162 18520
33 1 6 "Average Difference" C 31 3.176 1.754 2.692 18520
34 1 6 "Average Difference" CA 34 1.143 0.273 1.127 18520
35 1 6 "Average Difference" CB 30 0.755 0.264 0.719 18520
36 1 6 "Average Difference" HN 29 0.293 0.106 0.278 18520
37 1 7 "Average Difference" N 29 2.784 -0.073 2.832 18520
38 1 7 "Average Difference" HA 31 0.210 0.143 0.157 18520
39 1 7 "Average Difference" C 31 2.952 1.753 2.415 18520
40 1 7 "Average Difference" CA 34 0.886 0.335 0.832 18520
41 1 7 "Average Difference" CB 30 0.798 0.183 0.790 18520
42 1 7 "Average Difference" HN 29 0.397 0.022 0.404 18520
43 1 8 "Average Difference" N 29 2.479 0.319 2.502 18520
44 1 8 "Average Difference" HA 31 0.224 0.149 0.169 18520
45 1 8 "Average Difference" C 31 3.365 1.959 2.782 18520
46 1 8 "Average Difference" CA 34 1.265 0.446 1.202 18520
47 1 8 "Average Difference" CB 30 0.674 0.161 0.666 18520
48 1 8 "Average Difference" HN 29 0.353 0.145 0.327 18520
49 1 9 "Average Difference" N 29 2.254 -0.296 2.274 18520
50 1 9 "Average Difference" HA 31 0.233 0.148 0.183 18520
51 1 9 "Average Difference" C 31 3.058 1.846 2.478 18520
52 1 9 "Average Difference" CA 34 1.164 0.450 1.089 18520
53 1 9 "Average Difference" CB 30 0.656 0.055 0.664 18520
54 1 9 "Average Difference" HN 29 0.316 0.132 0.292 18520
55 1 10 "Average Difference" N 29 2.680 0.545 2.670 18520
56 1 10 "Average Difference" HA 31 0.219 0.154 0.158 18520
57 1 10 "Average Difference" C 31 3.015 1.822 2.442 18520
58 1 10 "Average Difference" CA 34 0.995 0.288 0.967 18520
59 1 10 "Average Difference" CB 30 0.649 0.194 0.630 18520
60 1 10 "Average Difference" HN 29 0.461 0.054 0.466 18520
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 18520
_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 GLN N N 2 122.100 122.100 123.573 -1.473 18520
2 1 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.345 -0.225 18520
3 1 . 1 1 2 2 GLN C C 2 173.600 173.600 175.541 -1.941 18520
4 1 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.740 -0.039 18520
5 1 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.646 -0.446 18520
6 1 . 1 1 2 2 GLN H H 2 8.340 8.340 8.385 -0.045 18520
7 1 . 1 1 3 3 HIS N N 3 120.300 120.300 121.514 -1.214 18520
8 1 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.583 -0.093 18520
9 1 . 1 1 3 3 HIS C C 3 173.400 173.400 175.350 -1.950 18520
10 1 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.183 -0.483 18520
11 1 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.158 -1.359 18520
12 1 . 1 1 3 3 HIS H H 3 8.440 8.440 8.444 -0.004 18520
13 1 . 1 1 4 4 GLY N N 4 110.300 110.300 110.269 0.032 18520
14 1 . 1 1 4 4 GLY C C 4 171.900 171.900 173.719 -1.819 18520
15 1 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.706 0.294 18520
16 1 . 1 1 4 4 GLY H H 4 8.370 8.370 8.419 -0.049 18520
17 1 . 1 1 5 5 ARG N N 5 120.800 120.800 120.134 0.666 18520
18 1 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.460 -0.220 18520
19 1 . 1 1 5 5 ARG C C 5 174.700 174.700 177.007 -2.307 18520
20 1 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.462 -0.662 18520
21 1 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.065 -0.565 18520
22 1 . 1 1 5 5 ARG H H 5 8.240 8.240 8.454 -0.214 18520
23 1 . 1 1 6 6 THR N N 6 116.100 116.100 116.064 0.036 18520
24 1 . 1 1 6 6 THR HA H 6 4.120 4.120 4.378 -0.259 18520
25 1 . 1 1 6 6 THR C C 6 172.600 172.600 174.991 -2.391 18520
26 1 . 1 1 6 6 THR CA C 6 61.900 61.900 63.045 -1.145 18520
27 1 . 1 1 6 6 THR CB C 6 69.500 69.500 69.741 -0.241 18520
28 1 . 1 1 6 6 THR H H 6 8.240 8.240 8.378 -0.138 18520
29 1 . 1 1 7 7 GLN N N 7 122.000 122.000 120.607 1.393 18520
30 1 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.304 -0.184 18520
31 1 . 1 1 7 7 GLN C C 7 173.400 173.400 175.813 -2.413 18520
32 1 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.749 -0.949 18520
33 1 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.010 0.290 18520
34 1 . 1 1 7 7 GLN H H 7 8.390 8.390 8.399 -0.009 18520
35 1 . 1 1 8 8 ASP N N 8 121.400 121.400 121.466 -0.066 18520
36 1 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.598 -0.218 18520
37 1 . 1 1 8 8 ASP C C 8 173.700 173.700 176.106 -2.406 18520
38 1 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.954 -0.654 18520
39 1 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.136 -0.336 18520
40 1 . 1 1 8 8 ASP H H 8 8.180 8.180 8.307 -0.127 18520
41 1 . 1 1 9 9 GLU N N 9 120.600 120.600 121.591 -0.991 18520
42 1 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.342 -0.202 18520
43 1 . 1 1 9 9 GLU C C 9 173.700 173.700 175.694 -1.994 18520
44 1 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.808 -0.208 18520
45 1 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.221 -0.421 18520
46 1 . 1 1 9 9 GLU H H 9 8.050 8.050 8.380 -0.330 18520
47 1 . 1 1 10 10 ASN N N 10 124.100 124.100 122.206 1.894 18520
48 1 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.769 -0.089 18520
49 1 . 1 1 10 10 ASN C C 10 172.400 172.400 175.252 -2.852 18520
50 1 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.764 0.136 18520
51 1 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.027 1.372 18520
52 1 . 1 1 10 10 ASN H H 10 8.950 8.950 8.620 0.330 18520
53 1 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.301 -0.051 18520
54 1 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.395 -0.395 18520
55 1 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.988 0.412 18520
56 1 . 1 1 12 12 VAL N N 12 119.100 119.100 118.548 0.552 18520
57 1 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.767 -0.167 18520
58 1 . 1 1 12 12 VAL C C 12 175.300 175.300 178.152 -2.852 18520
59 1 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.032 0.268 18520
60 1 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.438 -0.338 18520
61 1 . 1 1 12 12 VAL H H 12 8.190 8.190 8.059 0.131 18520
62 1 . 1 1 13 13 VAL N N 13 120.000 120.000 120.336 -0.336 18520
63 1 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.625 -0.155 18520
64 1 . 1 1 13 13 VAL C C 13 175.400 175.400 177.914 -2.514 18520
65 1 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.232 0.568 18520
66 1 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.397 0.103 18520
67 1 . 1 1 13 13 VAL H H 13 7.430 7.430 7.713 -0.283 18520
68 1 . 1 1 14 14 HIS N N 14 116.900 116.900 119.358 -2.458 18520
69 1 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.304 -0.384 18520
70 1 . 1 1 14 14 HIS C C 14 174.400 174.400 177.587 -3.187 18520
71 1 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.412 0.288 18520
72 1 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.774 -0.474 18520
73 1 . 1 1 14 14 HIS H H 14 8.320 8.320 8.179 0.141 18520
74 1 . 1 1 15 15 PHE N N 15 118.600 118.600 120.486 -1.886 18520
75 1 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.101 -0.131 18520
76 1 . 1 1 15 15 PHE C C 15 175.200 175.200 177.300 -2.100 18520
77 1 . 1 1 15 15 PHE CA C 15 61.200 61.200 60.749 0.451 18520
78 1 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.467 0.533 18520
79 1 . 1 1 15 15 PHE H H 15 7.770 7.770 8.227 -0.457 18520
80 1 . 1 1 16 16 PHE N N 16 116.500 116.500 119.508 -3.009 18520
81 1 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.918 0.002 18520
82 1 . 1 1 16 16 PHE C C 16 175.500 175.500 177.221 -1.721 18520
83 1 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.687 0.013 18520
84 1 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.111 0.089 18520
85 1 . 1 1 16 16 PHE H H 16 7.890 7.890 8.379 -0.489 18520
86 1 . 1 1 17 17 LYS N N 17 117.900 117.900 118.301 -0.401 18520
87 1 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.778 -0.078 18520
88 1 . 1 1 17 17 LYS C C 17 175.900 175.900 178.893 -2.993 18520
89 1 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.517 0.183 18520
90 1 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.175 0.125 18520
91 1 . 1 1 17 17 LYS H H 17 8.430 8.430 8.272 0.158 18520
92 1 . 1 1 18 18 ASN N N 18 115.200 115.200 116.921 -1.721 18520
93 1 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.466 -0.196 18520
94 1 . 1 1 18 18 ASN C C 18 173.900 173.900 176.446 -2.546 18520
95 1 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.364 -0.864 18520
96 1 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.256 0.244 18520
97 1 . 1 1 18 18 ASN H H 18 7.460 7.460 8.009 -0.549 18520
98 1 . 1 1 19 19 ILE N N 19 117.600 117.600 118.018 -0.418 18520
99 1 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.797 -0.117 18520
100 1 . 1 1 19 19 ILE C C 19 173.800 173.800 177.210 -3.410 18520
101 1 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.542 -0.642 18520
102 1 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.487 -0.687 18520
103 1 . 1 1 19 19 ILE H H 19 7.170 7.170 7.314 -0.144 18520
104 1 . 1 1 20 20 VAL N N 20 113.300 113.300 113.925 -0.625 18520
105 1 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.012 -0.072 18520
106 1 . 1 1 20 20 VAL C C 20 173.400 173.400 176.191 -2.791 18520
107 1 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.265 -1.065 18520
108 1 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.350 -0.350 18520
109 1 . 1 1 20 20 VAL H H 20 7.210 7.210 7.446 -0.236 18520
110 1 . 1 1 21 21 THR N N 21 117.300 117.300 115.697 1.603 18520
111 1 . 1 1 21 21 THR HA H 21 4.320 4.320 4.722 -0.402 18520
112 1 . 1 1 21 21 THR C C 21 180.100 180.100 172.357 7.743 18520
113 1 . 1 1 21 21 THR CA C 21 58.200 58.200 58.894 -0.694 18520
114 1 . 1 1 21 21 THR CB C 21 69.500 69.500 69.966 -0.466 18520
115 1 . 1 1 21 21 THR H H 21 7.600 7.600 7.710 -0.110 18520
116 1 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.352 -0.112 18520
117 1 . 1 1 22 22 PRO C C 22 174.800 174.800 176.898 -2.098 18520
118 1 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.350 -0.550 18520
119 1 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.167 -0.467 18520
120 1 . 1 1 23 23 ARG N N 23 121.500 121.500 120.386 1.114 18520
121 1 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.288 -0.128 18520
122 1 . 1 1 23 23 ARG C C 23 174.200 174.200 176.302 -2.102 18520
123 1 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.658 -0.858 18520
124 1 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.846 0.754 18520
125 1 . 1 1 23 23 ARG H H 23 8.440 8.440 8.266 0.174 18520
126 1 . 1 1 24 24 THR N N 24 118.500 118.500 119.523 -1.023 18520
127 1 . 1 1 24 24 THR HA H 24 4.360 4.360 4.521 -0.161 18520
128 1 . 1 1 24 24 THR C C 24 180.200 180.200 173.248 6.952 18520
129 1 . 1 1 24 24 THR CA C 24 59.700 59.700 60.129 -0.429 18520
130 1 . 1 1 24 24 THR CB C 24 69.600 69.600 69.579 0.022 18520
131 1 . 1 1 24 24 THR H H 24 8.150 8.150 8.339 -0.189 18520
132 1 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.578 -0.088 18520
133 1 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.735 -0.535 18520
134 1 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.061 -0.561 18520
135 1 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.459 0.061 18520
136 1 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.623 -0.523 18520
137 1 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.123 -0.623 18520
138 1 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.425 -0.176 18520
139 1 . 1 1 27 27 PRO C C 27 175.000 175.000 176.630 -1.630 18520
140 1 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.734 0.066 18520
141 1 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.271 -0.571 18520
142 1 . 1 1 28 28 SER N N 28 115.800 115.800 116.709 -0.909 18520
143 1 . 1 1 28 28 SER HA H 28 4.210 4.210 4.475 -0.265 18520
144 1 . 1 1 28 28 SER C C 28 172.600 172.600 174.583 -1.983 18520
145 1 . 1 1 28 28 SER CA C 28 58.100 58.100 58.142 -0.042 18520
146 1 . 1 1 28 28 SER CB C 28 63.400 63.400 64.111 -0.711 18520
147 1 . 1 1 28 28 SER H H 28 8.300 8.300 8.382 -0.082 18520
148 1 . 1 1 29 29 GLN N N 29 122.000 122.000 122.841 -0.841 18520
149 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.356 -0.176 18520
150 1 . 1 1 29 29 GLN C C 29 174.200 174.200 176.651 -2.451 18520
151 1 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.128 -0.428 18520
152 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.883 -0.783 18520
153 1 . 1 1 29 29 GLN H H 29 8.360 8.360 8.619 -0.258 18520
154 1 . 1 1 30 30 GLY N N 30 109.900 109.900 111.717 -1.817 18520
155 1 . 1 1 30 30 GLY C C 30 172.000 172.000 174.339 -2.340 18520
156 1 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.098 -0.098 18520
157 1 . 1 1 30 30 GLY H H 30 8.310 8.310 8.654 -0.344 18520
158 1 . 1 1 31 31 LYS N N 31 120.800 120.800 121.364 -0.564 18520
159 1 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.360 -0.220 18520
160 1 . 1 1 31 31 LYS C C 31 175.100 175.100 177.239 -2.139 18520
161 1 . 1 1 31 31 LYS CA C 31 56.100 56.100 56.442 -0.342 18520
162 1 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.936 -0.236 18520
163 1 . 1 1 31 31 LYS H H 31 8.180 8.180 8.189 -0.009 18520
164 1 . 1 1 32 32 GLY N N 32 109.900 109.900 109.452 0.448 18520
165 1 . 1 1 32 32 GLY C C 32 171.900 171.900 174.853 -2.953 18520
166 1 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.882 0.118 18520
167 1 . 1 1 32 32 GLY H H 32 8.390 8.390 8.389 0.001 18520
168 1 . 1 1 33 33 ARG N N 33 120.600 120.600 120.734 -0.134 18520
169 1 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.304 -0.164 18520
170 1 . 1 1 33 33 ARG C C 33 174.800 174.800 177.395 -2.595 18520
171 1 . 1 1 33 33 ARG CA C 33 55.900 55.900 57.002 -1.102 18520
172 1 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.797 -0.497 18520
173 1 . 1 1 33 33 ARG H H 33 8.190 8.190 8.220 -0.030 18520
174 1 . 1 1 34 34 GLY N N 34 110.000 110.000 108.770 1.230 18520
175 1 . 1 1 34 34 GLY C C 34 171.900 171.900 174.658 -2.758 18520
176 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.776 -0.776 18520
177 1 . 1 1 34 34 GLY H H 34 8.400 8.400 8.543 -0.143 18520
178 1 . 1 1 35 35 LEU N N 35 121.800 121.800 120.392 1.408 18520
179 1 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.471 -0.241 18520
180 1 . 1 1 35 35 LEU C C 35 174.600 174.600 177.291 -2.691 18520
181 1 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.953 -0.153 18520
182 1 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.492 -0.292 18520
183 1 . 1 1 35 35 LEU H H 35 8.050 8.050 7.863 0.187 18520
stop_
save_