data_17768
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17768
_Entry.PDB_ID 2LFP
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 17768
_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 6 6 TRP HA H 3 4.240 4.240 4.665 -0.425 17768
2 1 1 . 1 1 6 6 TRP CB C 3 29.900 29.900 29.626 0.274 17768
3 1 1 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.255 0.545 17768
4 1 1 . 1 1 8 8 LEU CB C 5 39.700 39.700 40.792 -1.092 17768
5 1 1 . 1 1 9 9 ALA N N 6 122.500 122.500 123.483 -0.983 17768
6 1 1 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.891 -0.911 17768
7 1 1 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.409 -0.709 17768
8 1 1 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.557 1.243 17768
9 1 1 . 1 1 9 9 ALA H H 6 8.150 8.150 8.317 -0.167 17768
10 1 1 . 1 1 10 10 SER N N 7 112.300 112.300 114.153 -1.853 17768
11 1 1 . 1 1 10 10 SER HA H 7 3.660 3.660 3.971 -0.311 17768
12 1 1 . 1 1 10 10 SER CA C 7 62.300 62.300 61.289 1.011 17768
13 1 1 . 1 1 10 10 SER H H 7 7.910 7.910 8.194 -0.284 17768
14 1 1 . 1 1 11 11 ARG N N 8 122.300 122.300 121.504 0.796 17768
15 1 1 . 1 1 11 11 ARG HA H 8 3.950 3.950 3.959 -0.009 17768
16 1 1 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.773 0.827 17768
17 1 1 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.762 0.038 17768
18 1 1 . 1 1 11 11 ARG H H 8 7.390 7.390 7.354 0.036 17768
19 1 1 . 1 1 12 12 ALA N N 9 121.500 121.500 121.743 -0.243 17768
20 1 1 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.756 0.114 17768
21 1 1 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.232 0.768 17768
22 1 1 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.989 2.211 17768
23 1 1 . 1 1 12 12 ALA H H 9 7.720 7.720 7.627 0.093 17768
24 1 1 . 1 1 13 13 LEU N N 10 119.000 119.000 118.341 0.659 17768
25 1 1 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.884 -0.974 17768
26 1 1 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.452 0.148 17768
27 1 1 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.176 -0.176 17768
28 1 1 . 1 1 13 13 LEU H H 10 7.940 7.940 7.197 0.743 17768
29 1 1 . 1 1 14 14 GLN N N 11 119.300 119.300 119.767 -0.467 17768
30 1 1 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.856 -0.506 17768
31 1 1 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.612 2.088 17768
32 1 1 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.373 -0.373 17768
33 1 1 . 1 1 14 14 GLN H H 11 7.390 7.390 7.714 -0.324 17768
34 1 1 . 1 1 15 15 LYS N N 12 116.200 116.200 121.181 -4.981 17768
35 1 1 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.041 -0.421 17768
36 1 1 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.066 -0.766 17768
37 1 1 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.953 -0.153 17768
38 1 1 . 1 1 15 15 LYS H H 12 7.470 7.470 7.383 0.087 17768
39 1 1 . 1 1 16 16 ALA N N 13 121.700 121.700 121.114 0.586 17768
40 1 1 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.257 -0.087 17768
41 1 1 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.030 0.370 17768
42 1 1 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.564 1.036 17768
43 1 1 . 1 1 16 16 ALA H H 13 8.560 8.560 7.958 0.602 17768
44 1 1 . 1 1 17 17 THR N N 14 108.700 108.700 117.114 -8.414 17768
45 1 1 . 1 1 17 17 THR HA H 14 3.650 3.650 4.430 -0.780 17768
46 1 1 . 1 1 17 17 THR CA C 14 66.500 66.500 66.298 0.202 17768
47 1 1 . 1 1 17 17 THR CB C 14 69.300 69.300 68.913 0.387 17768
48 1 1 . 1 1 17 17 THR H H 14 8.210 8.210 8.088 0.122 17768
49 1 1 . 1 1 18 18 VAL N N 15 122.600 122.600 121.324 1.276 17768
50 1 1 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.738 -0.338 17768
51 1 1 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.888 1.512 17768
52 1 1 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.361 0.139 17768
53 1 1 . 1 1 18 18 VAL H H 15 7.570 7.570 8.276 -0.706 17768
54 1 1 . 1 1 19 19 GLU N N 16 117.400 117.400 120.551 -3.151 17768
55 1 1 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.221 -0.051 17768
56 1 1 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.766 -0.065 17768
57 1 1 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.408 -0.208 17768
58 1 1 . 1 1 19 19 GLU H H 16 7.560 7.560 8.194 -0.634 17768
59 1 1 . 1 1 20 20 ASN N N 17 120.900 120.900 118.444 2.456 17768
60 1 1 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.635 -0.405 17768
61 1 1 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.216 0.984 17768
62 1 1 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.298 -0.398 17768
63 1 1 . 1 1 20 20 ASN H H 17 8.150 8.150 8.083 0.067 17768
64 1 1 . 1 1 21 21 LEU N N 18 119.500 119.500 120.801 -1.301 17768
65 1 1 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.161 -0.241 17768
66 1 1 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.804 2.296 17768
67 1 1 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.928 0.672 17768
68 1 1 . 1 1 21 21 LEU H H 18 8.500 8.500 8.226 0.274 17768
69 1 1 . 1 1 22 22 GLU N N 19 112.100 112.100 116.413 -4.313 17768
70 1 1 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.168 0.432 17768
71 1 1 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.321 0.379 17768
72 1 1 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.176 0.024 17768
73 1 1 . 1 1 22 22 GLU H H 19 8.450 8.450 8.436 0.014 17768
74 1 1 . 1 1 23 23 SER N N 20 110.300 110.300 114.919 -4.619 17768
75 1 1 . 1 1 23 23 SER HA H 20 4.490 4.490 4.537 -0.047 17768
76 1 1 . 1 1 23 23 SER CA C 20 58.600 58.600 60.343 -1.743 17768
77 1 1 . 1 1 23 23 SER H H 20 7.570 7.570 8.040 -0.470 17768
78 1 1 . 1 1 24 24 TYR N N 21 125.300 125.300 125.110 0.190 17768
79 1 1 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.225 0.355 17768
80 1 1 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.458 2.242 17768
81 1 1 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.477 -0.077 17768
82 1 1 . 1 1 24 24 TYR H H 21 7.560 7.560 8.185 -0.625 17768
83 1 1 . 1 1 25 25 GLN N N 22 130.000 130.000 127.297 2.703 17768
84 1 1 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.936 -0.086 17768
85 1 1 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.759 1.041 17768
86 1 1 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.967 0.333 17768
87 1 1 . 1 1 25 25 GLN H H 22 8.710 8.710 8.043 0.667 17768
88 1 1 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.062 -0.052 17768
89 1 1 . 1 1 27 27 LEU N N 24 112.400 112.400 117.733 -5.333 17768
90 1 1 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.115 0.095 17768
91 1 1 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.678 -0.378 17768
92 1 1 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.176 0.924 17768
93 1 1 . 1 1 27 27 LEU H H 24 6.720 6.720 7.412 -0.692 17768
94 1 1 . 1 1 28 28 MET N N 25 116.900 116.900 115.419 1.481 17768
95 1 1 . 1 1 28 28 MET HA H 25 4.510 4.510 4.317 0.193 17768
96 1 1 . 1 1 28 28 MET CA C 25 55.900 55.900 58.374 -2.474 17768
97 1 1 . 1 1 28 28 MET CB C 25 29.100 29.100 32.017 -2.917 17768
98 1 1 . 1 1 28 28 MET H H 25 7.620 7.620 7.465 0.155 17768
99 1 1 . 1 1 29 29 GLU N N 26 116.100 116.100 117.996 -1.896 17768
100 1 1 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.206 -0.066 17768
101 1 1 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.899 0.501 17768
102 1 1 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.404 0.896 17768
103 1 1 . 1 1 29 29 GLU H H 26 8.060 8.060 8.188 -0.128 17768
104 1 1 . 1 1 30 30 MET N N 27 115.100 115.100 118.051 -2.951 17768
105 1 1 . 1 1 30 30 MET HA H 27 4.450 4.450 4.450 -0.000 17768
106 1 1 . 1 1 30 30 MET CA C 27 57.000 57.000 57.137 -0.137 17768
107 1 1 . 1 1 30 30 MET CB C 27 36.500 36.500 34.472 2.028 17768
108 1 1 . 1 1 30 30 MET H H 27 7.920 7.920 7.586 0.334 17768
109 1 1 . 1 1 31 31 VAL N N 28 107.100 107.100 111.474 -4.374 17768
110 1 1 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.805 -0.095 17768
111 1 1 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.631 -1.031 17768
112 1 1 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.947 1.553 17768
113 1 1 . 1 1 31 31 VAL H H 28 7.180 7.180 7.623 -0.443 17768
114 1 1 . 1 1 32 32 ASN N N 29 115.300 115.300 121.208 -5.908 17768
115 1 1 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.749 -0.049 17768
116 1 1 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.626 2.174 17768
117 1 1 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.435 0.965 17768
118 1 1 . 1 1 32 32 ASN H H 29 8.670 8.670 8.750 -0.080 17768
119 1 1 . 1 1 33 33 GLN N N 30 108.900 108.900 119.164 -10.264 17768
120 1 1 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.592 0.028 17768
121 1 1 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.417 1.183 17768
122 1 1 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.590 0.810 17768
123 1 1 . 1 1 33 33 GLN H H 30 7.190 7.190 8.175 -0.985 17768
124 1 1 . 1 1 34 34 VAL N N 31 122.000 122.000 116.841 5.159 17768
125 1 1 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.679 0.231 17768
126 1 1 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.497 1.103 17768
127 1 1 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.387 2.413 17768
128 1 1 . 1 1 34 34 VAL H H 31 8.860 8.860 7.912 0.948 17768
129 1 1 . 1 1 35 35 THR N N 32 119.200 119.200 122.384 -3.184 17768
130 1 1 . 1 1 35 35 THR HA H 32 4.900 4.900 4.599 0.301 17768
131 1 1 . 1 1 35 35 THR CA C 32 59.100 59.100 59.944 -0.845 17768
132 1 1 . 1 1 35 35 THR CB C 32 70.100 70.100 71.066 -0.966 17768
133 1 1 . 1 1 35 35 THR H H 32 8.910 8.910 8.435 0.475 17768
134 1 1 . 1 1 36 36 GLU H H 33 8.200 8.200 8.882 -0.682 17768
135 1 1 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.630 -0.510 17768
136 1 1 . 1 1 39 39 GLY N N 36 111.100 111.100 110.198 0.902 17768
137 1 1 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.173 -0.473 17768
138 1 1 . 1 1 39 39 GLY H H 36 8.570 8.570 8.756 -0.186 17768
139 1 1 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.439 -0.619 17768
140 1 1 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.356 0.444 17768
141 1 1 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.473 0.127 17768
142 1 1 . 1 1 40 40 LYS H H 37 7.070 7.070 8.364 -1.294 17768
143 1 1 . 1 1 41 41 ASP N N 38 116.100 116.100 117.254 -1.154 17768
144 1 1 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.674 -0.104 17768
145 1 1 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.745 0.755 17768
146 1 1 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.794 1.006 17768
147 1 1 . 1 1 41 41 ASP H H 38 8.250 8.250 8.376 -0.126 17768
148 1 1 . 1 1 42 42 ASP N N 39 123.300 123.300 122.628 0.672 17768
149 1 1 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.802 -0.352 17768
150 1 1 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.776 0.724 17768
151 1 1 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.745 -2.445 17768
152 1 1 . 1 1 42 42 ASP H H 39 7.070 7.070 7.317 -0.247 17768
153 1 1 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.357 -0.057 17768
154 1 1 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.012 -0.512 17768
155 1 1 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.309 -0.209 17768
156 1 1 . 1 1 44 44 TYR N N 41 122.700 122.700 120.596 2.104 17768
157 1 1 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.936 -0.336 17768
158 1 1 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.641 -0.541 17768
159 1 1 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.454 -0.954 17768
160 1 1 . 1 1 44 44 TYR H H 41 8.200 8.200 8.499 -0.299 17768
161 1 1 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.043 0.557 17768
162 1 1 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.802 -0.302 17768
163 1 1 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.216 2.884 17768
164 1 1 . 1 1 46 46 TYR N N 43 113.000 113.000 116.367 -3.367 17768
165 1 1 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.743 0.417 17768
166 1 1 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.165 0.535 17768
167 1 1 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.619 1.281 17768
168 1 1 . 1 1 46 46 TYR H H 43 8.640 8.640 8.427 0.213 17768
169 1 1 . 1 1 47 47 VAL N N 44 118.300 118.300 121.278 -2.978 17768
170 1 1 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.648 0.852 17768
171 1 1 . 1 1 47 47 VAL CA C 44 60.800 60.800 59.328 1.472 17768
172 1 1 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.572 -0.272 17768
173 1 1 . 1 1 47 47 VAL H H 44 8.210 8.210 8.189 0.021 17768
174 1 1 . 1 1 48 48 VAL N N 45 127.100 127.100 123.291 3.809 17768
175 1 1 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.231 0.279 17768
176 1 1 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.915 0.785 17768
177 1 1 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.509 0.791 17768
178 1 1 . 1 1 48 48 VAL H H 45 9.960 9.960 8.603 1.357 17768
179 1 1 . 1 1 49 49 ILE N N 46 126.500 126.500 123.902 2.598 17768
180 1 1 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.653 -0.663 17768
181 1 1 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.467 0.434 17768
182 1 1 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.798 -0.598 17768
183 1 1 . 1 1 49 49 ILE H H 46 8.160 8.160 8.036 0.124 17768
184 1 1 . 1 1 50 50 GLY N N 47 116.200 116.200 113.701 2.499 17768
185 1 1 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.913 -1.013 17768
186 1 1 . 1 1 50 50 GLY H H 47 8.100 8.100 8.732 -0.632 17768
187 1 1 . 1 1 51 51 ASP N N 48 118.000 118.000 120.033 -2.033 17768
188 1 1 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.223 -0.733 17768
189 1 1 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.514 1.386 17768
190 1 1 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.927 -2.427 17768
191 1 1 . 1 1 51 51 ASP H H 48 8.150 8.150 8.257 -0.107 17768
192 1 1 . 1 1 52 52 GLN N N 49 118.000 118.000 120.502 -2.502 17768
193 1 1 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.655 0.255 17768
194 1 1 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.840 0.160 17768
195 1 1 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.956 0.144 17768
196 1 1 . 1 1 52 52 GLN H H 49 8.400 8.400 8.572 -0.172 17768
197 1 1 . 1 1 53 53 SER N N 50 115.900 115.900 119.349 -3.449 17768
198 1 1 . 1 1 53 53 SER CA C 50 58.200 58.200 59.600 -1.400 17768
199 1 1 . 1 1 53 53 SER CB C 50 64.700 64.700 62.862 1.838 17768
200 1 1 . 1 1 53 53 SER H H 50 8.770 8.770 8.822 -0.052 17768
201 1 1 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.514 -0.214 17768
202 1 1 . 1 1 57 57 PHE N N 54 126.200 126.200 125.331 0.869 17768
203 1 1 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.651 0.209 17768
204 1 1 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.957 -3.857 17768
205 1 1 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.484 -1.084 17768
206 1 1 . 1 1 57 57 PHE H H 54 8.620 8.620 8.272 0.348 17768
207 1 1 . 1 1 59 59 THR HA H 56 4.910 4.910 4.541 0.369 17768
208 1 1 . 1 1 60 60 LYS N N 57 123.900 123.900 120.958 2.942 17768
209 1 1 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.587 0.083 17768
210 1 1 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.593 1.307 17768
211 1 1 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.486 -1.086 17768
212 1 1 . 1 1 60 60 LYS H H 57 8.760 8.760 8.462 0.298 17768
213 1 1 . 1 1 61 61 SER N N 58 113.900 113.900 116.674 -2.774 17768
214 1 1 . 1 1 61 61 SER HA H 58 4.690 4.690 4.667 0.023 17768
215 1 1 . 1 1 61 61 SER CA C 58 55.000 55.000 57.178 -2.178 17768
216 1 1 . 1 1 61 61 SER CB C 58 63.000 63.000 63.689 -0.689 17768
217 1 1 . 1 1 61 61 SER H H 58 8.400 8.400 7.560 0.840 17768
218 1 1 . 1 1 66 66 ASN N N 63 117.100 117.100 118.560 -1.460 17768
219 1 1 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.058 0.602 17768
220 1 1 . 1 1 66 66 ASN CA C 63 53.100 53.100 53.022 0.078 17768
221 1 1 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.900 -0.500 17768
222 1 1 . 1 1 66 66 ASN H H 63 8.260 8.260 7.655 0.605 17768
223 1 1 . 1 1 67 67 ILE N N 64 120.300 120.300 121.936 -1.636 17768
224 1 1 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.459 0.161 17768
225 1 1 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.375 0.925 17768
226 1 1 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.201 1.999 17768
227 1 1 . 1 1 67 67 ILE H H 64 8.910 8.910 8.858 0.052 17768
228 1 1 . 1 1 68 68 THR N N 65 124.100 124.100 122.959 1.141 17768
229 1 1 . 1 1 68 68 THR HA H 65 5.490 5.490 5.107 0.383 17768
230 1 1 . 1 1 68 68 THR CA C 65 61.900 61.900 61.093 0.808 17768
231 1 1 . 1 1 68 68 THR CB C 65 70.200 70.200 71.128 -0.928 17768
232 1 1 . 1 1 68 68 THR H H 65 8.940 8.940 8.330 0.610 17768
233 1 1 . 1 1 69 69 MET N N 66 126.700 126.700 126.386 0.314 17768
234 1 1 . 1 1 69 69 MET HA H 66 5.050 5.050 4.666 0.384 17768
235 1 1 . 1 1 69 69 MET CA C 66 55.100 55.100 54.856 0.244 17768
236 1 1 . 1 1 69 69 MET CB C 66 38.100 38.100 36.809 1.291 17768
237 1 1 . 1 1 69 69 MET H H 66 9.200 9.200 9.245 -0.045 17768
238 1 1 . 1 1 70 70 ASP N N 67 123.500 123.500 125.986 -2.486 17768
239 1 1 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.368 0.042 17768
240 1 1 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.209 0.791 17768
241 1 1 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.556 -1.056 17768
242 1 1 . 1 1 70 70 ASP H H 67 7.720 7.720 8.123 -0.403 17768
243 1 1 . 1 1 71 71 PHE N N 68 116.900 116.900 118.403 -1.503 17768
244 1 1 . 1 1 71 71 PHE HA H 68 4.830 4.830 4.698 0.132 17768
245 1 1 . 1 1 71 71 PHE CA C 68 57.000 57.000 56.165 0.835 17768
246 1 1 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.970 1.030 17768
247 1 1 . 1 1 71 71 PHE H H 68 9.130 9.130 8.783 0.347 17768
248 1 1 . 1 1 72 72 HIS N N 69 120.400 120.400 120.753 -0.353 17768
249 1 1 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.001 0.429 17768
250 1 1 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.252 0.948 17768
251 1 1 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.463 3.637 17768
252 1 1 . 1 1 72 72 HIS H H 69 9.350 9.350 9.033 0.317 17768
253 1 1 . 1 1 73 73 VAL N N 70 124.900 124.900 121.683 3.217 17768
254 1 1 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.233 0.207 17768
255 1 1 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.415 1.585 17768
256 1 1 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.939 0.361 17768
257 1 1 . 1 1 73 73 VAL H H 70 9.610 9.610 8.499 1.111 17768
258 1 1 . 1 1 74 74 TRP N N 71 129.500 129.500 126.364 3.136 17768
259 1 1 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.130 -0.190 17768
260 1 1 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.837 -0.037 17768
261 1 1 . 1 1 74 74 TRP CB C 71 31.000 31.000 31.303 -0.303 17768
262 1 1 . 1 1 74 74 TRP H H 71 8.790 8.790 8.599 0.191 17768
263 1 1 . 1 1 75 75 GLY CA C 72 44.400 44.400 45.168 -0.768 17768
264 1 1 . 1 1 76 76 GLY N N 73 105.500 105.500 109.642 -4.142 17768
265 1 1 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.732 -0.932 17768
266 1 1 . 1 1 76 76 GLY H H 73 8.710 8.710 8.139 0.571 17768
267 1 1 . 1 1 77 77 THR N N 74 114.200 114.200 112.565 1.635 17768
268 1 1 . 1 1 77 77 THR HA H 74 4.460 4.460 4.990 -0.530 17768
269 1 1 . 1 1 77 77 THR CA C 74 62.700 62.700 61.575 1.125 17768
270 1 1 . 1 1 77 77 THR CB C 74 70.000 70.000 70.226 -0.226 17768
271 1 1 . 1 1 77 77 THR H H 74 9.010 9.010 7.987 1.023 17768
272 1 1 . 1 1 78 78 THR N N 75 110.800 110.800 114.927 -4.127 17768
273 1 1 . 1 1 78 78 THR CA C 75 59.100 59.100 59.782 -0.682 17768
274 1 1 . 1 1 78 78 THR H H 75 7.960 7.960 7.897 0.063 17768
275 1 1 . 1 1 79 79 ARG CA C 76 60.300 60.300 60.016 0.284 17768
276 1 1 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.261 -0.661 17768
277 1 1 . 1 1 80 80 ALA N N 77 120.500 120.500 119.172 1.328 17768
278 1 1 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.228 -0.208 17768
279 1 1 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.548 0.852 17768
280 1 1 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.166 0.534 17768
281 1 1 . 1 1 80 80 ALA H H 77 8.290 8.290 8.327 -0.037 17768
282 1 1 . 1 1 81 81 GLU N N 78 118.800 118.800 119.266 -0.466 17768
283 1 1 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.146 -0.106 17768
284 1 1 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.233 0.468 17768
285 1 1 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.132 1.368 17768
286 1 1 . 1 1 81 81 GLU H H 78 7.930 7.930 7.933 -0.003 17768
287 1 1 . 1 1 82 82 ALA N N 79 119.700 119.700 121.867 -2.167 17768
288 1 1 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.035 -0.155 17768
289 1 1 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.409 0.091 17768
290 1 1 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.213 0.187 17768
291 1 1 . 1 1 82 82 ALA H H 79 7.470 7.470 7.727 -0.257 17768
292 1 1 . 1 1 83 83 GLN N N 80 120.700 120.700 118.755 1.945 17768
293 1 1 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.202 -0.372 17768
294 1 1 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.279 0.922 17768
295 1 1 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.631 0.069 17768
296 1 1 . 1 1 83 83 GLN H H 80 8.690 8.690 8.028 0.662 17768
297 1 1 . 1 1 84 84 ASP N N 81 123.100 123.100 121.499 1.601 17768
298 1 1 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.376 -0.006 17768
299 1 1 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.936 0.564 17768
300 1 1 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.806 -0.506 17768
301 1 1 . 1 1 84 84 ASP H H 81 8.480 8.480 7.711 0.769 17768
302 1 1 . 1 1 85 85 ILE N N 82 119.300 119.300 116.004 3.296 17768
303 1 1 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.908 -0.368 17768
304 1 1 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.690 2.010 17768
305 1 1 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.786 0.714 17768
306 1 1 . 1 1 85 85 ILE H H 82 8.340 8.340 8.385 -0.045 17768
307 1 1 . 1 1 86 86 SER N N 83 114.800 114.800 117.055 -2.255 17768
308 1 1 . 1 1 86 86 SER HA H 83 4.560 4.560 4.054 0.506 17768
309 1 1 . 1 1 86 86 SER CA C 83 63.500 63.500 61.801 1.699 17768
310 1 1 . 1 1 86 86 SER H H 83 7.880 7.880 8.056 -0.176 17768
311 1 1 . 1 1 87 87 SER N N 84 117.400 117.400 118.170 -0.770 17768
312 1 1 . 1 1 87 87 SER HA H 84 4.400 4.400 4.231 0.169 17768
313 1 1 . 1 1 87 87 SER CA C 84 58.100 58.100 61.008 -2.908 17768
314 1 1 . 1 1 87 87 SER H H 84 8.320 8.320 8.530 -0.210 17768
315 1 1 . 1 1 88 88 ARG N N 85 121.100 121.100 121.749 -0.649 17768
316 1 1 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.186 -0.096 17768
317 1 1 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.575 0.125 17768
318 1 1 . 1 1 88 88 ARG H H 85 7.780 7.780 8.220 -0.440 17768
319 1 1 . 1 1 89 89 VAL N N 86 121.200 121.200 120.390 0.810 17768
320 1 1 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.634 -0.274 17768
321 1 1 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.193 1.307 17768
322 1 1 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.548 -0.548 17768
323 1 1 . 1 1 89 89 VAL H H 86 8.190 8.190 7.988 0.202 17768
324 1 1 . 1 1 90 90 LEU N N 87 117.500 117.500 119.832 -2.332 17768
325 1 1 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.882 -0.192 17768
326 1 1 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.115 0.185 17768
327 1 1 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.324 -0.024 17768
328 1 1 . 1 1 90 90 LEU H H 87 7.330 7.330 7.848 -0.518 17768
329 1 1 . 1 1 91 91 GLU N N 88 118.500 118.500 119.790 -1.290 17768
330 1 1 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.863 -0.243 17768
331 1 1 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.059 0.041 17768
332 1 1 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.514 1.086 17768
333 1 1 . 1 1 91 91 GLU H H 88 7.810 7.810 8.219 -0.409 17768
334 1 1 . 1 1 92 92 ALA N N 89 121.800 121.800 121.504 0.296 17768
335 1 1 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.806 -0.746 17768
336 1 1 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.671 -0.271 17768
337 1 1 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.860 1.340 17768
338 1 1 . 1 1 92 92 ALA H H 89 7.820 7.820 7.756 0.064 17768
339 1 1 . 1 1 93 93 LEU N N 90 113.600 113.600 117.652 -4.052 17768
340 1 1 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.053 -0.033 17768
341 1 1 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.934 -0.734 17768
342 1 1 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.198 1.502 17768
343 1 1 . 1 1 93 93 LEU H H 90 7.570 7.570 7.950 -0.380 17768
344 1 1 . 1 1 94 94 THR N N 91 102.400 102.400 109.552 -7.152 17768
345 1 1 . 1 1 94 94 THR HA H 91 4.510 4.510 4.467 0.043 17768
346 1 1 . 1 1 94 94 THR CA C 91 61.500 61.500 62.006 -0.506 17768
347 1 1 . 1 1 94 94 THR CB C 91 71.300 71.300 69.309 1.991 17768
348 1 1 . 1 1 94 94 THR H H 91 7.280 7.280 7.608 -0.328 17768
349 1 1 . 1 1 95 95 TYR N N 92 123.600 123.600 125.358 -1.758 17768
350 1 1 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.298 0.032 17768
351 1 1 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.755 -0.055 17768
352 1 1 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.157 -1.557 17768
353 1 1 . 1 1 95 95 TYR H H 92 7.900 7.900 8.180 -0.280 17768
354 1 1 . 1 1 96 96 LYS N N 93 117.500 117.500 119.924 -2.424 17768
355 1 1 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.524 0.026 17768
356 1 1 . 1 1 96 96 LYS CA C 93 53.700 53.700 53.088 0.612 17768
357 1 1 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.823 0.677 17768
358 1 1 . 1 1 96 96 LYS H H 93 7.000 7.000 7.402 -0.402 17768
359 1 1 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.395 -0.025 17768
360 1 1 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.558 1.042 17768
361 1 1 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.345 0.355 17768
362 1 1 . 1 1 98 98 LEU N N 95 125.400 125.400 124.179 1.221 17768
363 1 1 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.492 0.129 17768
364 1 1 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.723 -0.923 17768
365 1 1 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.225 2.375 17768
366 1 1 . 1 1 98 98 LEU H H 95 8.380 8.380 8.604 -0.224 17768
367 1 1 . 1 1 99 99 MET N N 96 123.100 123.100 123.195 -0.095 17768
368 1 1 . 1 1 99 99 MET HA H 96 5.480 5.480 5.162 0.318 17768
369 1 1 . 1 1 99 99 MET CA C 96 55.200 55.200 54.762 0.438 17768
370 1 1 . 1 1 99 99 MET CB C 96 37.200 37.200 37.035 0.165 17768
371 1 1 . 1 1 99 99 MET H H 96 8.480 8.480 8.193 0.287 17768
372 1 1 . 1 1 100 100 PHE N N 97 122.900 122.900 122.922 -0.022 17768
373 1 1 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.092 -0.702 17768
374 1 1 . 1 1 100 100 PHE CA C 97 60.300 60.300 56.618 3.682 17768
375 1 1 . 1 1 100 100 PHE CB C 97 43.100 43.100 44.005 -0.905 17768
376 1 1 . 1 1 100 100 PHE H H 97 8.640 8.640 8.971 -0.331 17768
377 1 1 . 1 1 101 101 GLU N N 98 125.300 125.300 124.956 0.344 17768
378 1 1 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.809 -0.379 17768
379 1 1 . 1 1 101 101 GLU CA C 98 58.200 58.200 57.218 0.982 17768
380 1 1 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.118 1.282 17768
381 1 1 . 1 1 101 101 GLU H H 98 8.640 8.640 8.171 0.469 17768
382 1 1 . 1 1 102 102 GLY N N 99 107.100 107.100 110.117 -3.017 17768
383 1 1 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.303 1.397 17768
384 1 1 . 1 1 102 102 GLY H H 99 8.250 8.250 8.132 0.118 17768
385 1 1 . 1 1 103 103 PHE N N 100 120.200 120.200 121.545 -1.345 17768
386 1 1 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.709 0.021 17768
387 1 1 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.759 1.141 17768
388 1 1 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.906 2.094 17768
389 1 1 . 1 1 103 103 PHE H H 100 8.310 8.310 8.121 0.189 17768
390 1 1 . 1 1 104 104 THR N N 101 116.100 116.100 118.228 -2.128 17768
391 1 1 . 1 1 104 104 THR HA H 101 4.970 4.970 4.458 0.512 17768
392 1 1 . 1 1 104 104 THR CA C 101 61.900 61.900 60.858 1.042 17768
393 1 1 . 1 1 104 104 THR CB C 101 71.400 71.400 71.034 0.366 17768
394 1 1 . 1 1 104 104 THR H H 101 8.250 8.250 8.343 -0.093 17768
395 1 1 . 1 1 105 105 PHE N N 102 123.200 123.200 122.521 0.679 17768
396 1 1 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.864 0.746 17768
397 1 1 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.114 -0.514 17768
398 1 1 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.093 1.507 17768
399 1 1 . 1 1 105 105 PHE H H 102 8.840 8.840 7.970 0.870 17768
400 1 1 . 1 1 106 106 VAL N N 103 120.000 120.000 121.480 -1.480 17768
401 1 1 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.470 0.030 17768
402 1 1 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.365 0.835 17768
403 1 1 . 1 1 106 106 VAL CB C 103 35.200 35.200 36.056 -0.856 17768
404 1 1 . 1 1 106 106 VAL H H 103 8.460 8.460 8.337 0.123 17768
405 1 1 . 1 1 107 107 ALA N N 104 130.400 130.400 130.406 -0.006 17768
406 1 1 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.504 -0.664 17768
407 1 1 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.933 0.467 17768
408 1 1 . 1 1 107 107 ALA CB C 104 17.800 17.800 18.642 -0.843 17768
409 1 1 . 1 1 107 107 ALA H H 104 9.210 9.210 8.648 0.562 17768
410 1 1 . 1 1 108 108 LYS N N 105 127.100 127.100 127.092 0.008 17768
411 1 1 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.486 -0.256 17768
412 1 1 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.452 -0.252 17768
413 1 1 . 1 1 108 108 LYS H H 105 8.670 8.670 8.109 0.561 17768
414 1 1 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.451 0.049 17768
415 1 1 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.764 0.436 17768
416 1 1 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.207 1.293 17768
417 1 1 . 1 1 116 116 ILE N N 113 125.200 125.200 121.737 3.463 17768
418 1 1 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.490 0.030 17768
419 1 1 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.437 0.463 17768
420 1 1 . 1 1 116 116 ILE CB C 113 41.700 41.700 41.359 0.341 17768
421 1 1 . 1 1 116 116 ILE H H 113 8.760 8.760 8.106 0.654 17768
422 1 1 . 1 1 117 117 THR N N 114 119.000 119.000 118.080 0.920 17768
423 1 1 . 1 1 117 117 THR HA H 114 4.560 4.560 4.605 -0.045 17768
424 1 1 . 1 1 117 117 THR CA C 114 62.300 62.300 61.681 0.619 17768
425 1 1 . 1 1 117 117 THR CB C 114 69.400 69.400 69.899 -0.499 17768
426 1 1 . 1 1 117 117 THR H H 114 8.380 8.380 8.194 0.186 17768
427 1 1 . 1 1 118 118 ASP N N 115 126.200 126.200 126.317 -0.117 17768
428 1 1 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.962 -0.312 17768
429 1 1 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.307 1.193 17768
430 1 1 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.720 -0.420 17768
431 1 1 . 1 1 118 118 ASP H H 115 8.920 8.920 8.468 0.452 17768
432 1 1 . 1 1 119 119 THR HA H 116 3.990 3.990 4.120 -0.130 17768
433 1 1 . 1 1 119 119 THR CA C 116 64.800 64.800 64.654 0.146 17768
434 1 1 . 1 1 119 119 THR CB C 116 69.200 69.200 69.055 0.145 17768
435 1 1 . 1 1 120 120 ASP N N 117 120.500 120.500 121.043 -0.543 17768
436 1 1 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.700 1.100 17768
437 1 1 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.057 -1.357 17768
438 1 1 . 1 1 120 120 ASP H H 117 8.360 8.360 8.131 0.229 17768
439 1 1 . 1 1 121 121 GLY N N 118 108.600 108.600 108.848 -0.248 17768
440 1 1 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.043 0.757 17768
441 1 1 . 1 1 121 121 GLY H H 118 8.310 8.310 7.736 0.574 17768
442 1 1 . 1 1 122 122 VAL N N 119 118.600 118.600 119.046 -0.446 17768
443 1 1 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.202 -0.002 17768
444 1 1 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.672 1.528 17768
445 1 1 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.913 3.087 17768
446 1 1 . 1 1 122 122 VAL H H 119 8.500 8.500 7.792 0.708 17768
447 1 1 . 1 1 123 123 THR N N 120 123.300 123.300 118.881 4.419 17768
448 1 1 . 1 1 123 123 THR HA H 120 4.030 4.030 4.252 -0.222 17768
449 1 1 . 1 1 123 123 THR CA C 120 64.800 64.800 62.417 2.383 17768
450 1 1 . 1 1 123 123 THR CB C 120 68.400 68.400 69.520 -1.120 17768
451 1 1 . 1 1 123 123 THR H H 120 9.700 9.700 8.086 1.614 17768
452 1 1 . 1 1 124 124 LYS N N 121 125.500 125.500 126.737 -1.237 17768
453 1 1 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.482 0.068 17768
454 1 1 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.585 -1.285 17768
455 1 1 . 1 1 124 124 LYS H H 121 8.650 8.650 8.653 -0.003 17768
456 1 1 . 1 1 125 125 HIS N N 122 121.400 121.400 122.289 -0.889 17768
457 1 1 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.190 -0.110 17768
458 1 1 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.246 -2.646 17768
459 1 1 . 1 1 125 125 HIS CB C 122 31.600 31.600 34.471 -2.871 17768
460 1 1 . 1 1 125 125 HIS H H 122 8.580 8.580 8.586 -0.006 17768
461 1 1 . 1 1 126 126 GLY N N 123 114.000 114.000 110.518 3.482 17768
462 1 1 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.420 -0.220 17768
463 1 1 . 1 1 126 126 GLY H H 123 10.010 10.010 8.849 1.161 17768
464 1 1 . 1 1 127 127 ILE N N 124 124.000 124.000 126.671 -2.671 17768
465 1 1 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.658 -0.178 17768
466 1 1 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.949 1.751 17768
467 1 1 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.483 1.617 17768
468 1 1 . 1 1 127 127 ILE H H 124 8.740 8.740 8.498 0.242 17768
469 1 1 . 1 1 128 128 ILE N N 125 126.200 126.200 130.090 -3.890 17768
470 1 1 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.415 0.365 17768
471 1 1 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.148 -0.048 17768
472 1 1 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.590 1.210 17768
473 1 1 . 1 1 128 128 ILE H H 125 8.640 8.640 8.953 -0.313 17768
474 1 1 . 1 1 129 129 LYS N N 126 126.300 126.300 126.825 -0.525 17768
475 1 1 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.826 0.584 17768
476 1 1 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.564 0.036 17768
477 1 1 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.347 1.753 17768
478 1 1 . 1 1 129 129 LYS H H 126 8.990 8.990 8.547 0.443 17768
479 1 1 . 1 1 130 130 VAL N N 127 126.300 126.300 125.532 0.768 17768
480 1 1 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.237 0.323 17768
481 1 1 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.730 0.369 17768
482 1 1 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.544 0.456 17768
483 1 1 . 1 1 130 130 VAL H H 127 8.880 8.880 9.053 -0.173 17768
484 1 1 . 1 1 131 131 ARG N N 128 126.600 126.600 122.867 3.733 17768
485 1 1 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.984 -0.024 17768
486 1 1 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.663 0.937 17768
487 1 1 . 1 1 131 131 ARG CB C 128 32.600 32.600 34.207 -1.607 17768
488 1 1 . 1 1 131 131 ARG H H 128 8.720 8.720 8.144 0.576 17768
489 1 1 . 1 1 132 132 PHE N N 129 125.700 125.700 121.214 4.486 17768
490 1 1 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.358 0.252 17768
491 1 1 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.104 0.496 17768
492 1 1 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.931 0.469 17768
493 1 1 . 1 1 132 132 PHE H H 129 9.720 9.720 9.210 0.510 17768
494 1 1 . 1 1 133 133 THR N N 130 114.700 114.700 117.751 -3.051 17768
495 1 1 . 1 1 133 133 THR HA H 130 5.070 5.070 4.805 0.265 17768
496 1 1 . 1 1 133 133 THR CA C 130 61.800 61.800 61.598 0.202 17768
497 1 1 . 1 1 133 133 THR CB C 130 71.100 71.100 71.533 -0.433 17768
498 1 1 . 1 1 133 133 THR H H 130 9.100 9.100 9.190 -0.090 17768
499 1 1 . 1 1 134 134 ILE N N 131 123.000 123.000 120.758 2.242 17768
500 1 1 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.406 0.994 17768
501 1 1 . 1 1 134 134 ILE H H 131 8.400 8.400 8.622 -0.222 17768
502 1 2 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.841 -0.601 17768
503 1 2 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.668 -0.768 17768
504 1 2 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.932 0.868 17768
505 1 2 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.651 -1.951 17768
506 1 2 . 1 1 9 9 ALA N N 6 122.500 122.500 120.562 1.938 17768
507 1 2 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.047 -1.067 17768
508 1 2 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.278 -0.578 17768
509 1 2 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.259 0.541 17768
510 1 2 . 1 1 9 9 ALA H H 6 8.150 8.150 8.626 -0.476 17768
511 1 2 . 1 1 10 10 SER N N 7 112.300 112.300 114.153 -1.853 17768
512 1 2 . 1 1 10 10 SER HA H 7 3.660 3.660 3.990 -0.330 17768
513 1 2 . 1 1 10 10 SER CA C 7 62.300 62.300 61.389 0.911 17768
514 1 2 . 1 1 10 10 SER H H 7 7.910 7.910 7.797 0.113 17768
515 1 2 . 1 1 11 11 ARG N N 8 122.300 122.300 120.677 1.623 17768
516 1 2 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.078 -0.128 17768
517 1 2 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.691 0.909 17768
518 1 2 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.929 -0.129 17768
519 1 2 . 1 1 11 11 ARG H H 8 7.390 7.390 7.584 -0.194 17768
520 1 2 . 1 1 12 12 ALA N N 9 121.500 121.500 122.529 -1.029 17768
521 1 2 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.678 0.193 17768
522 1 2 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.388 0.612 17768
523 1 2 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.241 1.959 17768
524 1 2 . 1 1 12 12 ALA H H 9 7.720 7.720 8.344 -0.624 17768
525 1 2 . 1 1 13 13 LEU N N 10 119.000 119.000 119.571 -0.571 17768
526 1 2 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.765 -0.855 17768
527 1 2 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.695 -0.095 17768
528 1 2 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.621 -0.621 17768
529 1 2 . 1 1 13 13 LEU H H 10 7.940 7.940 7.299 0.641 17768
530 1 2 . 1 1 14 14 GLN N N 11 119.300 119.300 118.900 0.400 17768
531 1 2 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.942 -0.592 17768
532 1 2 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.867 1.833 17768
533 1 2 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.317 -0.317 17768
534 1 2 . 1 1 14 14 GLN H H 11 7.390 7.390 8.045 -0.655 17768
535 1 2 . 1 1 15 15 LYS N N 12 116.200 116.200 119.766 -3.566 17768
536 1 2 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.163 -0.543 17768
537 1 2 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.660 -0.360 17768
538 1 2 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.294 0.506 17768
539 1 2 . 1 1 15 15 LYS H H 12 7.470 7.470 7.536 -0.066 17768
540 1 2 . 1 1 16 16 ALA N N 13 121.700 121.700 122.328 -0.628 17768
541 1 2 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.282 -0.112 17768
542 1 2 . 1 1 16 16 ALA CA C 13 55.400 55.400 54.882 0.518 17768
543 1 2 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.351 1.249 17768
544 1 2 . 1 1 16 16 ALA H H 13 8.560 8.560 7.718 0.842 17768
545 1 2 . 1 1 17 17 THR N N 14 108.700 108.700 116.736 -8.036 17768
546 1 2 . 1 1 17 17 THR HA H 14 3.650 3.650 4.348 -0.698 17768
547 1 2 . 1 1 17 17 THR CA C 14 66.500 66.500 66.560 -0.060 17768
548 1 2 . 1 1 17 17 THR CB C 14 69.300 69.300 68.878 0.422 17768
549 1 2 . 1 1 17 17 THR H H 14 8.210 8.210 8.154 0.056 17768
550 1 2 . 1 1 18 18 VAL N N 15 122.600 122.600 121.735 0.865 17768
551 1 2 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.722 -0.322 17768
552 1 2 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.828 1.572 17768
553 1 2 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.564 -0.063 17768
554 1 2 . 1 1 18 18 VAL H H 15 7.570 7.570 8.314 -0.744 17768
555 1 2 . 1 1 19 19 GLU N N 16 117.400 117.400 120.257 -2.857 17768
556 1 2 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.055 0.115 17768
557 1 2 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.755 -0.055 17768
558 1 2 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.405 -0.205 17768
559 1 2 . 1 1 19 19 GLU H H 16 7.560 7.560 8.078 -0.518 17768
560 1 2 . 1 1 20 20 ASN N N 17 120.900 120.900 119.381 1.519 17768
561 1 2 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.719 -0.489 17768
562 1 2 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.505 0.695 17768
563 1 2 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.139 -0.239 17768
564 1 2 . 1 1 20 20 ASN H H 17 8.150 8.150 7.946 0.204 17768
565 1 2 . 1 1 21 21 LEU N N 18 119.500 119.500 119.433 0.067 17768
566 1 2 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.161 -0.241 17768
567 1 2 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.454 1.646 17768
568 1 2 . 1 1 21 21 LEU CB C 18 42.600 42.600 42.024 0.576 17768
569 1 2 . 1 1 21 21 LEU H H 18 8.500 8.500 8.243 0.257 17768
570 1 2 . 1 1 22 22 GLU N N 19 112.100 112.100 114.089 -1.989 17768
571 1 2 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.225 0.375 17768
572 1 2 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.679 1.020 17768
573 1 2 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.122 0.078 17768
574 1 2 . 1 1 22 22 GLU H H 19 8.450 8.450 8.053 0.397 17768
575 1 2 . 1 1 23 23 SER N N 20 110.300 110.300 114.823 -4.523 17768
576 1 2 . 1 1 23 23 SER HA H 20 4.490 4.490 4.519 -0.029 17768
577 1 2 . 1 1 23 23 SER CA C 20 58.600 58.600 58.972 -0.372 17768
578 1 2 . 1 1 23 23 SER H H 20 7.570 7.570 7.952 -0.382 17768
579 1 2 . 1 1 24 24 TYR N N 21 125.300 125.300 124.556 0.744 17768
580 1 2 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.782 0.798 17768
581 1 2 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.765 0.935 17768
582 1 2 . 1 1 24 24 TYR CB C 21 37.400 37.400 38.112 -0.712 17768
583 1 2 . 1 1 24 24 TYR H H 21 7.560 7.560 8.428 -0.868 17768
584 1 2 . 1 1 25 25 GLN N N 22 130.000 130.000 127.281 2.719 17768
585 1 2 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.823 0.027 17768
586 1 2 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.816 0.984 17768
587 1 2 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.597 0.703 17768
588 1 2 . 1 1 25 25 GLN H H 22 8.710 8.710 8.190 0.520 17768
589 1 2 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.360 -0.350 17768
590 1 2 . 1 1 27 27 LEU N N 24 112.400 112.400 117.553 -5.153 17768
591 1 2 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.029 0.181 17768
592 1 2 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.174 0.126 17768
593 1 2 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.608 1.492 17768
594 1 2 . 1 1 27 27 LEU H H 24 6.720 6.720 8.006 -1.286 17768
595 1 2 . 1 1 28 28 MET N N 25 116.900 116.900 115.629 1.271 17768
596 1 2 . 1 1 28 28 MET HA H 25 4.510 4.510 4.147 0.363 17768
597 1 2 . 1 1 28 28 MET CA C 25 55.900 55.900 58.512 -2.612 17768
598 1 2 . 1 1 28 28 MET CB C 25 29.100 29.100 32.616 -3.516 17768
599 1 2 . 1 1 28 28 MET H H 25 7.620 7.620 7.384 0.236 17768
600 1 2 . 1 1 29 29 GLU N N 26 116.100 116.100 117.055 -0.955 17768
601 1 2 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.242 -0.102 17768
602 1 2 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.566 0.834 17768
603 1 2 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.980 0.320 17768
604 1 2 . 1 1 29 29 GLU H H 26 8.060 8.060 7.557 0.503 17768
605 1 2 . 1 1 30 30 MET N N 27 115.100 115.100 118.127 -3.027 17768
606 1 2 . 1 1 30 30 MET HA H 27 4.450 4.450 4.478 -0.028 17768
607 1 2 . 1 1 30 30 MET CA C 27 57.000 57.000 56.057 0.943 17768
608 1 2 . 1 1 30 30 MET CB C 27 36.500 36.500 34.318 2.182 17768
609 1 2 . 1 1 30 30 MET H H 27 7.920 7.920 7.800 0.120 17768
610 1 2 . 1 1 31 31 VAL N N 28 107.100 107.100 116.146 -9.046 17768
611 1 2 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.566 0.144 17768
612 1 2 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.705 -1.105 17768
613 1 2 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.277 2.223 17768
614 1 2 . 1 1 31 31 VAL H H 28 7.180 7.180 7.705 -0.525 17768
615 1 2 . 1 1 32 32 ASN N N 29 115.300 115.300 123.271 -7.971 17768
616 1 2 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.774 -0.074 17768
617 1 2 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.816 1.984 17768
618 1 2 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.780 0.620 17768
619 1 2 . 1 1 32 32 ASN H H 29 8.670 8.670 8.720 -0.050 17768
620 1 2 . 1 1 33 33 GLN N N 30 108.900 108.900 119.307 -10.407 17768
621 1 2 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.582 0.038 17768
622 1 2 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.671 0.929 17768
623 1 2 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.428 0.972 17768
624 1 2 . 1 1 33 33 GLN H H 30 7.190 7.190 8.256 -1.066 17768
625 1 2 . 1 1 34 34 VAL N N 31 122.000 122.000 120.764 1.236 17768
626 1 2 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.873 0.037 17768
627 1 2 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.450 1.150 17768
628 1 2 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.416 1.384 17768
629 1 2 . 1 1 34 34 VAL H H 31 8.860 8.860 7.908 0.952 17768
630 1 2 . 1 1 35 35 THR N N 32 119.200 119.200 123.556 -4.356 17768
631 1 2 . 1 1 35 35 THR HA H 32 4.900 4.900 4.665 0.235 17768
632 1 2 . 1 1 35 35 THR CA C 32 59.100 59.100 60.168 -1.068 17768
633 1 2 . 1 1 35 35 THR CB C 32 70.100 70.100 70.847 -0.746 17768
634 1 2 . 1 1 35 35 THR H H 32 8.910 8.910 8.871 0.039 17768
635 1 2 . 1 1 36 36 GLU H H 33 8.200 8.200 8.864 -0.664 17768
636 1 2 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.526 -0.406 17768
637 1 2 . 1 1 39 39 GLY N N 36 111.100 111.100 109.322 1.778 17768
638 1 2 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.535 -0.835 17768
639 1 2 . 1 1 39 39 GLY H H 36 8.570 8.570 8.732 -0.162 17768
640 1 2 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.137 -0.317 17768
641 1 2 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.651 1.149 17768
642 1 2 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.817 0.783 17768
643 1 2 . 1 1 40 40 LYS H H 37 7.070 7.070 8.442 -1.372 17768
644 1 2 . 1 1 41 41 ASP N N 38 116.100 116.100 116.670 -0.570 17768
645 1 2 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.597 -0.027 17768
646 1 2 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.557 -0.057 17768
647 1 2 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.447 0.353 17768
648 1 2 . 1 1 41 41 ASP H H 38 8.250 8.250 8.214 0.036 17768
649 1 2 . 1 1 42 42 ASP N N 39 123.300 123.300 121.924 1.376 17768
650 1 2 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.775 -0.325 17768
651 1 2 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.234 1.266 17768
652 1 2 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.400 -2.100 17768
653 1 2 . 1 1 42 42 ASP H H 39 7.070 7.070 7.230 -0.160 17768
654 1 2 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.247 0.053 17768
655 1 2 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.237 -0.737 17768
656 1 2 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.210 -0.110 17768
657 1 2 . 1 1 44 44 TYR N N 41 122.700 122.700 121.642 1.058 17768
658 1 2 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.809 -0.209 17768
659 1 2 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.596 -0.497 17768
660 1 2 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.775 -1.275 17768
661 1 2 . 1 1 44 44 TYR H H 41 8.200 8.200 8.398 -0.198 17768
662 1 2 . 1 1 45 45 PRO HA H 42 5.600 5.600 4.983 0.617 17768
663 1 2 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.689 -0.189 17768
664 1 2 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.022 3.078 17768
665 1 2 . 1 1 46 46 TYR N N 43 113.000 113.000 115.812 -2.812 17768
666 1 2 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.785 0.376 17768
667 1 2 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.832 0.868 17768
668 1 2 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.440 1.460 17768
669 1 2 . 1 1 46 46 TYR H H 43 8.640 8.640 8.839 -0.199 17768
670 1 2 . 1 1 47 47 VAL N N 44 118.300 118.300 120.677 -2.377 17768
671 1 2 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.780 0.720 17768
672 1 2 . 1 1 47 47 VAL CA C 44 60.800 60.800 59.865 0.935 17768
673 1 2 . 1 1 47 47 VAL CB C 44 35.300 35.300 36.197 -0.896 17768
674 1 2 . 1 1 47 47 VAL H H 44 8.210 8.210 8.232 -0.022 17768
675 1 2 . 1 1 48 48 VAL N N 45 127.100 127.100 125.152 1.948 17768
676 1 2 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.431 0.079 17768
677 1 2 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.035 0.665 17768
678 1 2 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.520 0.780 17768
679 1 2 . 1 1 48 48 VAL H H 45 9.960 9.960 8.597 1.363 17768
680 1 2 . 1 1 49 49 ILE N N 46 126.500 126.500 125.730 0.770 17768
681 1 2 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.760 -0.770 17768
682 1 2 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.827 1.073 17768
683 1 2 . 1 1 49 49 ILE CB C 46 38.200 38.200 36.717 1.484 17768
684 1 2 . 1 1 49 49 ILE H H 46 8.160 8.160 8.331 -0.171 17768
685 1 2 . 1 1 50 50 GLY N N 47 116.200 116.200 114.142 2.058 17768
686 1 2 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.654 -0.754 17768
687 1 2 . 1 1 50 50 GLY H H 47 8.100 8.100 8.693 -0.593 17768
688 1 2 . 1 1 51 51 ASP N N 48 118.000 118.000 119.334 -1.334 17768
689 1 2 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.867 -0.377 17768
690 1 2 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.141 1.759 17768
691 1 2 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.200 -1.700 17768
692 1 2 . 1 1 51 51 ASP H H 48 8.150 8.150 8.343 -0.193 17768
693 1 2 . 1 1 52 52 GLN N N 49 118.000 118.000 122.749 -4.749 17768
694 1 2 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.519 0.391 17768
695 1 2 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.411 -0.411 17768
696 1 2 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.655 0.445 17768
697 1 2 . 1 1 52 52 GLN H H 49 8.400 8.400 8.410 -0.010 17768
698 1 2 . 1 1 53 53 SER N N 50 115.900 115.900 121.378 -5.478 17768
699 1 2 . 1 1 53 53 SER CA C 50 58.200 58.200 58.278 -0.077 17768
700 1 2 . 1 1 53 53 SER CB C 50 64.700 64.700 62.114 2.586 17768
701 1 2 . 1 1 53 53 SER H H 50 8.770 8.770 8.754 0.016 17768
702 1 2 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.595 -0.295 17768
703 1 2 . 1 1 57 57 PHE N N 54 126.200 126.200 125.025 1.175 17768
704 1 2 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.731 0.129 17768
705 1 2 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.918 -4.818 17768
706 1 2 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.952 -1.552 17768
707 1 2 . 1 1 57 57 PHE H H 54 8.620 8.620 8.512 0.108 17768
708 1 2 . 1 1 59 59 THR HA H 56 4.910 4.910 4.462 0.448 17768
709 1 2 . 1 1 60 60 LYS N N 57 123.900 123.900 125.025 -1.125 17768
710 1 2 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.707 -0.037 17768
711 1 2 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.608 0.292 17768
712 1 2 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.066 -1.666 17768
713 1 2 . 1 1 60 60 LYS H H 57 8.760 8.760 8.696 0.064 17768
714 1 2 . 1 1 61 61 SER N N 58 113.900 113.900 117.433 -3.533 17768
715 1 2 . 1 1 61 61 SER HA H 58 4.690 4.690 4.502 0.188 17768
716 1 2 . 1 1 61 61 SER CA C 58 55.000 55.000 57.954 -2.954 17768
717 1 2 . 1 1 61 61 SER CB C 58 63.000 63.000 64.038 -1.038 17768
718 1 2 . 1 1 61 61 SER H H 58 8.400 8.400 8.204 0.196 17768
719 1 2 . 1 1 66 66 ASN N N 63 117.100 117.100 118.234 -1.134 17768
720 1 2 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.669 -0.009 17768
721 1 2 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.737 0.363 17768
722 1 2 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.435 -0.035 17768
723 1 2 . 1 1 66 66 ASN H H 63 8.260 8.260 8.553 -0.293 17768
724 1 2 . 1 1 67 67 ILE N N 64 120.300 120.300 120.287 0.013 17768
725 1 2 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.553 0.067 17768
726 1 2 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.721 0.579 17768
727 1 2 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.119 2.081 17768
728 1 2 . 1 1 67 67 ILE H H 64 8.910 8.910 8.719 0.191 17768
729 1 2 . 1 1 68 68 THR N N 65 124.100 124.100 122.667 1.433 17768
730 1 2 . 1 1 68 68 THR HA H 65 5.490 5.490 5.143 0.347 17768
731 1 2 . 1 1 68 68 THR CA C 65 61.900 61.900 60.434 1.466 17768
732 1 2 . 1 1 68 68 THR CB C 65 70.200 70.200 70.041 0.159 17768
733 1 2 . 1 1 68 68 THR H H 65 8.940 8.940 8.321 0.619 17768
734 1 2 . 1 1 69 69 MET N N 66 126.700 126.700 129.045 -2.345 17768
735 1 2 . 1 1 69 69 MET HA H 66 5.050 5.050 4.722 0.328 17768
736 1 2 . 1 1 69 69 MET CA C 66 55.100 55.100 55.088 0.012 17768
737 1 2 . 1 1 69 69 MET CB C 66 38.100 38.100 36.686 1.414 17768
738 1 2 . 1 1 69 69 MET H H 66 9.200 9.200 9.137 0.063 17768
739 1 2 . 1 1 70 70 ASP N N 67 123.500 123.500 123.652 -0.152 17768
740 1 2 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.069 0.341 17768
741 1 2 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.884 0.116 17768
742 1 2 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.556 -2.056 17768
743 1 2 . 1 1 70 70 ASP H H 67 7.720 7.720 7.994 -0.274 17768
744 1 2 . 1 1 71 71 PHE N N 68 116.900 116.900 116.740 0.160 17768
745 1 2 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.301 -0.471 17768
746 1 2 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.608 1.392 17768
747 1 2 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.887 1.113 17768
748 1 2 . 1 1 71 71 PHE H H 68 9.130 9.130 8.663 0.467 17768
749 1 2 . 1 1 72 72 HIS N N 69 120.400 120.400 119.779 0.621 17768
750 1 2 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.881 0.549 17768
751 1 2 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.400 0.800 17768
752 1 2 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.211 3.889 17768
753 1 2 . 1 1 72 72 HIS H H 69 9.350 9.350 9.279 0.071 17768
754 1 2 . 1 1 73 73 VAL N N 70 124.900 124.900 122.897 2.003 17768
755 1 2 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.312 0.128 17768
756 1 2 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.316 0.684 17768
757 1 2 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.946 0.354 17768
758 1 2 . 1 1 73 73 VAL H H 70 9.610 9.610 8.339 1.271 17768
759 1 2 . 1 1 74 74 TRP N N 71 129.500 129.500 126.643 2.857 17768
760 1 2 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.227 -0.287 17768
761 1 2 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.655 0.145 17768
762 1 2 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.357 -1.357 17768
763 1 2 . 1 1 74 74 TRP H H 71 8.790 8.790 8.913 -0.123 17768
764 1 2 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.183 0.217 17768
765 1 2 . 1 1 76 76 GLY N N 73 105.500 105.500 109.733 -4.233 17768
766 1 2 . 1 1 76 76 GLY CA C 73 44.800 44.800 43.783 1.017 17768
767 1 2 . 1 1 76 76 GLY H H 73 8.710 8.710 8.279 0.431 17768
768 1 2 . 1 1 77 77 THR N N 74 114.200 114.200 112.569 1.631 17768
769 1 2 . 1 1 77 77 THR HA H 74 4.460 4.460 4.052 0.408 17768
770 1 2 . 1 1 77 77 THR CA C 74 62.700 62.700 64.993 -2.293 17768
771 1 2 . 1 1 77 77 THR CB C 74 70.000 70.000 67.973 2.027 17768
772 1 2 . 1 1 77 77 THR H H 74 9.010 9.010 8.651 0.359 17768
773 1 2 . 1 1 78 78 THR N N 75 110.800 110.800 111.376 -0.576 17768
774 1 2 . 1 1 78 78 THR CA C 75 59.100 59.100 59.767 -0.667 17768
775 1 2 . 1 1 78 78 THR H H 75 7.960 7.960 7.761 0.199 17768
776 1 2 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.327 0.973 17768
777 1 2 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.618 -0.018 17768
778 1 2 . 1 1 80 80 ALA N N 77 120.500 120.500 121.294 -0.794 17768
779 1 2 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.166 -0.146 17768
780 1 2 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.499 0.901 17768
781 1 2 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.368 0.332 17768
782 1 2 . 1 1 80 80 ALA H H 77 8.290 8.290 8.138 0.152 17768
783 1 2 . 1 1 81 81 GLU N N 78 118.800 118.800 119.702 -0.902 17768
784 1 2 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.094 -0.054 17768
785 1 2 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.017 0.683 17768
786 1 2 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.619 0.881 17768
787 1 2 . 1 1 81 81 GLU H H 78 7.930 7.930 8.220 -0.290 17768
788 1 2 . 1 1 82 82 ALA N N 79 119.700 119.700 122.118 -2.418 17768
789 1 2 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.015 -0.135 17768
790 1 2 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.526 -0.026 17768
791 1 2 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.305 0.095 17768
792 1 2 . 1 1 82 82 ALA H H 79 7.470 7.470 7.596 -0.126 17768
793 1 2 . 1 1 83 83 GLN N N 80 120.700 120.700 119.162 1.538 17768
794 1 2 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.020 -0.190 17768
795 1 2 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.884 0.316 17768
796 1 2 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.784 -0.084 17768
797 1 2 . 1 1 83 83 GLN H H 80 8.690 8.690 7.861 0.829 17768
798 1 2 . 1 1 84 84 ASP N N 81 123.100 123.100 120.823 2.277 17768
799 1 2 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.416 -0.046 17768
800 1 2 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.488 1.012 17768
801 1 2 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.471 -0.171 17768
802 1 2 . 1 1 84 84 ASP H H 81 8.480 8.480 8.292 0.188 17768
803 1 2 . 1 1 85 85 ILE N N 82 119.300 119.300 116.449 2.851 17768
804 1 2 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.729 -0.189 17768
805 1 2 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.010 1.690 17768
806 1 2 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.462 1.038 17768
807 1 2 . 1 1 85 85 ILE H H 82 8.340 8.340 7.845 0.495 17768
808 1 2 . 1 1 86 86 SER N N 83 114.800 114.800 117.727 -2.927 17768
809 1 2 . 1 1 86 86 SER HA H 83 4.560 4.560 4.084 0.476 17768
810 1 2 . 1 1 86 86 SER CA C 83 63.500 63.500 61.652 1.848 17768
811 1 2 . 1 1 86 86 SER H H 83 7.880 7.880 7.994 -0.114 17768
812 1 2 . 1 1 87 87 SER N N 84 117.400 117.400 118.756 -1.356 17768
813 1 2 . 1 1 87 87 SER HA H 84 4.400 4.400 4.287 0.113 17768
814 1 2 . 1 1 87 87 SER CA C 84 58.100 58.100 61.244 -3.144 17768
815 1 2 . 1 1 87 87 SER H H 84 8.320 8.320 8.460 -0.140 17768
816 1 2 . 1 1 88 88 ARG N N 85 121.100 121.100 121.672 -0.572 17768
817 1 2 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.371 -0.281 17768
818 1 2 . 1 1 88 88 ARG CA C 85 58.700 58.700 57.906 0.794 17768
819 1 2 . 1 1 88 88 ARG H H 85 7.780 7.780 8.694 -0.914 17768
820 1 2 . 1 1 89 89 VAL N N 86 121.200 121.200 120.949 0.251 17768
821 1 2 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.659 -0.299 17768
822 1 2 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.004 1.496 17768
823 1 2 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.153 -0.153 17768
824 1 2 . 1 1 89 89 VAL H H 86 8.190 8.190 8.163 0.027 17768
825 1 2 . 1 1 90 90 LEU N N 87 117.500 117.500 119.778 -2.278 17768
826 1 2 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.938 -0.248 17768
827 1 2 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.226 0.074 17768
828 1 2 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.962 0.338 17768
829 1 2 . 1 1 90 90 LEU H H 87 7.330 7.330 8.054 -0.724 17768
830 1 2 . 1 1 91 91 GLU N N 88 118.500 118.500 119.540 -1.040 17768
831 1 2 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.882 -0.262 17768
832 1 2 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.909 0.191 17768
833 1 2 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.027 1.573 17768
834 1 2 . 1 1 91 91 GLU H H 88 7.810 7.810 7.827 -0.017 17768
835 1 2 . 1 1 92 92 ALA N N 89 121.800 121.800 120.920 0.880 17768
836 1 2 . 1 1 92 92 ALA HA H 89 3.060 3.060 4.042 -0.982 17768
837 1 2 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.925 -0.525 17768
838 1 2 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.711 1.489 17768
839 1 2 . 1 1 92 92 ALA H H 89 7.820 7.820 7.483 0.337 17768
840 1 2 . 1 1 93 93 LEU N N 90 113.600 113.600 116.484 -2.884 17768
841 1 2 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.115 -0.095 17768
842 1 2 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.569 -0.369 17768
843 1 2 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.211 1.490 17768
844 1 2 . 1 1 93 93 LEU H H 90 7.570 7.570 8.058 -0.488 17768
845 1 2 . 1 1 94 94 THR N N 91 102.400 102.400 107.887 -5.487 17768
846 1 2 . 1 1 94 94 THR HA H 91 4.510 4.510 4.426 0.084 17768
847 1 2 . 1 1 94 94 THR CA C 91 61.500 61.500 62.492 -0.992 17768
848 1 2 . 1 1 94 94 THR CB C 91 71.300 71.300 68.856 2.444 17768
849 1 2 . 1 1 94 94 THR H H 91 7.280 7.280 7.527 -0.247 17768
850 1 2 . 1 1 95 95 TYR N N 92 123.600 123.600 123.841 -0.241 17768
851 1 2 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.309 0.021 17768
852 1 2 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.985 -0.285 17768
853 1 2 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.534 -1.934 17768
854 1 2 . 1 1 95 95 TYR H H 92 7.900 7.900 7.874 0.026 17768
855 1 2 . 1 1 96 96 LYS N N 93 117.500 117.500 118.679 -1.179 17768
856 1 2 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.420 0.130 17768
857 1 2 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.628 1.072 17768
858 1 2 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.883 0.617 17768
859 1 2 . 1 1 96 96 LYS H H 93 7.000 7.000 7.385 -0.385 17768
860 1 2 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.492 -0.122 17768
861 1 2 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.535 1.065 17768
862 1 2 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.280 0.420 17768
863 1 2 . 1 1 98 98 LEU N N 95 125.400 125.400 125.924 -0.524 17768
864 1 2 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.405 0.215 17768
865 1 2 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.384 -0.584 17768
866 1 2 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.228 3.372 17768
867 1 2 . 1 1 98 98 LEU H H 95 8.380 8.380 8.632 -0.252 17768
868 1 2 . 1 1 99 99 MET N N 96 123.100 123.100 123.187 -0.087 17768
869 1 2 . 1 1 99 99 MET HA H 96 5.480 5.480 5.202 0.278 17768
870 1 2 . 1 1 99 99 MET CA C 96 55.200 55.200 54.663 0.536 17768
871 1 2 . 1 1 99 99 MET CB C 96 37.200 37.200 36.786 0.414 17768
872 1 2 . 1 1 99 99 MET H H 96 8.480 8.480 8.328 0.152 17768
873 1 2 . 1 1 100 100 PHE N N 97 122.900 122.900 125.322 -2.422 17768
874 1 2 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.893 -0.503 17768
875 1 2 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.677 2.623 17768
876 1 2 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.616 1.484 17768
877 1 2 . 1 1 100 100 PHE H H 97 8.640 8.640 9.180 -0.540 17768
878 1 2 . 1 1 101 101 GLU N N 98 125.300 125.300 125.547 -0.247 17768
879 1 2 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.477 -0.047 17768
880 1 2 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.539 1.661 17768
881 1 2 . 1 1 101 101 GLU CB C 98 28.400 28.400 26.916 1.484 17768
882 1 2 . 1 1 101 101 GLU H H 98 8.640 8.640 8.889 -0.249 17768
883 1 2 . 1 1 102 102 GLY N N 99 107.100 107.100 101.119 5.981 17768
884 1 2 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.967 0.733 17768
885 1 2 . 1 1 102 102 GLY H H 99 8.250 8.250 7.994 0.256 17768
886 1 2 . 1 1 103 103 PHE N N 100 120.200 120.200 122.850 -2.650 17768
887 1 2 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.739 -0.009 17768
888 1 2 . 1 1 103 103 PHE CA C 100 57.900 57.900 54.674 3.226 17768
889 1 2 . 1 1 103 103 PHE CB C 100 43.000 43.000 39.325 3.675 17768
890 1 2 . 1 1 103 103 PHE H H 100 8.310 8.310 7.687 0.623 17768
891 1 2 . 1 1 104 104 THR N N 101 116.100 116.100 115.179 0.921 17768
892 1 2 . 1 1 104 104 THR HA H 101 4.970 4.970 4.820 0.150 17768
893 1 2 . 1 1 104 104 THR CA C 101 61.900 61.900 60.674 1.226 17768
894 1 2 . 1 1 104 104 THR CB C 101 71.400 71.400 70.095 1.305 17768
895 1 2 . 1 1 104 104 THR H H 101 8.250 8.250 8.480 -0.230 17768
896 1 2 . 1 1 105 105 PHE N N 102 123.200 123.200 121.196 2.004 17768
897 1 2 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.991 0.619 17768
898 1 2 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.436 -0.836 17768
899 1 2 . 1 1 105 105 PHE CB C 102 42.600 42.600 42.133 0.467 17768
900 1 2 . 1 1 105 105 PHE H H 102 8.840 8.840 7.910 0.930 17768
901 1 2 . 1 1 106 106 VAL N N 103 120.000 120.000 123.280 -3.280 17768
902 1 2 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.462 0.038 17768
903 1 2 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.028 0.172 17768
904 1 2 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.094 2.106 17768
905 1 2 . 1 1 106 106 VAL H H 103 8.460 8.460 9.314 -0.854 17768
906 1 2 . 1 1 107 107 ALA N N 104 130.400 130.400 131.244 -0.844 17768
907 1 2 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.571 -0.731 17768
908 1 2 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.359 1.041 17768
909 1 2 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.867 -2.067 17768
910 1 2 . 1 1 107 107 ALA H H 104 9.210 9.210 8.800 0.410 17768
911 1 2 . 1 1 108 108 LYS N N 105 127.100 127.100 124.604 2.496 17768
912 1 2 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.497 -0.267 17768
913 1 2 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.387 0.813 17768
914 1 2 . 1 1 108 108 LYS H H 105 8.670 8.670 8.572 0.098 17768
915 1 2 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.233 0.267 17768
916 1 2 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.961 0.239 17768
917 1 2 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.305 1.195 17768
918 1 2 . 1 1 116 116 ILE N N 113 125.200 125.200 128.168 -2.968 17768
919 1 2 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.470 0.050 17768
920 1 2 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.671 -0.771 17768
921 1 2 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.751 0.949 17768
922 1 2 . 1 1 116 116 ILE H H 113 8.760 8.760 8.512 0.248 17768
923 1 2 . 1 1 117 117 THR N N 114 119.000 119.000 119.720 -0.720 17768
924 1 2 . 1 1 117 117 THR HA H 114 4.560 4.560 4.492 0.068 17768
925 1 2 . 1 1 117 117 THR CA C 114 62.300 62.300 61.309 0.990 17768
926 1 2 . 1 1 117 117 THR CB C 114 69.400 69.400 69.572 -0.172 17768
927 1 2 . 1 1 117 117 THR H H 114 8.380 8.380 8.461 -0.081 17768
928 1 2 . 1 1 118 118 ASP N N 115 126.200 126.200 126.291 -0.091 17768
929 1 2 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.852 -0.202 17768
930 1 2 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.670 0.830 17768
931 1 2 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.962 0.339 17768
932 1 2 . 1 1 118 118 ASP H H 115 8.920 8.920 8.715 0.205 17768
933 1 2 . 1 1 119 119 THR HA H 116 3.990 3.990 4.190 -0.200 17768
934 1 2 . 1 1 119 119 THR CA C 116 64.800 64.800 64.552 0.248 17768
935 1 2 . 1 1 119 119 THR CB C 116 69.200 69.200 69.089 0.111 17768
936 1 2 . 1 1 120 120 ASP N N 117 120.500 120.500 120.442 0.058 17768
937 1 2 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.670 1.130 17768
938 1 2 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.899 -1.199 17768
939 1 2 . 1 1 120 120 ASP H H 117 8.360 8.360 7.955 0.405 17768
940 1 2 . 1 1 121 121 GLY N N 118 108.600 108.600 108.334 0.266 17768
941 1 2 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.239 0.561 17768
942 1 2 . 1 1 121 121 GLY H H 118 8.310 8.310 7.753 0.557 17768
943 1 2 . 1 1 122 122 VAL N N 119 118.600 118.600 119.297 -0.697 17768
944 1 2 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.240 -0.040 17768
945 1 2 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.753 2.447 17768
946 1 2 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.093 2.907 17768
947 1 2 . 1 1 122 122 VAL H H 119 8.500 8.500 7.599 0.901 17768
948 1 2 . 1 1 123 123 THR N N 120 123.300 123.300 117.372 5.928 17768
949 1 2 . 1 1 123 123 THR HA H 120 4.030 4.030 4.444 -0.414 17768
950 1 2 . 1 1 123 123 THR CA C 120 64.800 64.800 61.533 3.267 17768
951 1 2 . 1 1 123 123 THR CB C 120 68.400 68.400 70.405 -2.005 17768
952 1 2 . 1 1 123 123 THR H H 120 9.700 9.700 7.931 1.769 17768
953 1 2 . 1 1 124 124 LYS N N 121 125.500 125.500 123.060 2.440 17768
954 1 2 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.367 0.183 17768
955 1 2 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.248 -0.948 17768
956 1 2 . 1 1 124 124 LYS H H 121 8.650 8.650 8.523 0.127 17768
957 1 2 . 1 1 125 125 HIS N N 122 121.400 121.400 121.089 0.311 17768
958 1 2 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.872 0.208 17768
959 1 2 . 1 1 125 125 HIS CA C 122 51.600 51.600 55.464 -3.864 17768
960 1 2 . 1 1 125 125 HIS CB C 122 31.600 31.600 30.490 1.110 17768
961 1 2 . 1 1 125 125 HIS H H 122 8.580 8.580 8.166 0.414 17768
962 1 2 . 1 1 126 126 GLY N N 123 114.000 114.000 109.567 4.433 17768
963 1 2 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.671 -0.471 17768
964 1 2 . 1 1 126 126 GLY H H 123 10.010 10.010 8.539 1.471 17768
965 1 2 . 1 1 127 127 ILE N N 124 124.000 124.000 120.724 3.276 17768
966 1 2 . 1 1 127 127 ILE HA H 124 4.480 4.480 5.052 -0.572 17768
967 1 2 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.751 1.949 17768
968 1 2 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.952 0.148 17768
969 1 2 . 1 1 127 127 ILE H H 124 8.740 8.740 8.329 0.411 17768
970 1 2 . 1 1 128 128 ILE N N 125 126.200 126.200 129.450 -3.250 17768
971 1 2 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.590 0.190 17768
972 1 2 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.078 0.022 17768
973 1 2 . 1 1 128 128 ILE CB C 125 41.800 41.800 42.003 -0.203 17768
974 1 2 . 1 1 128 128 ILE H H 125 8.640 8.640 8.951 -0.311 17768
975 1 2 . 1 1 129 129 LYS N N 126 126.300 126.300 128.730 -2.430 17768
976 1 2 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.763 0.647 17768
977 1 2 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.815 0.785 17768
978 1 2 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.675 1.425 17768
979 1 2 . 1 1 129 129 LYS H H 126 8.990 8.990 8.160 0.830 17768
980 1 2 . 1 1 130 130 VAL N N 127 126.300 126.300 122.226 4.074 17768
981 1 2 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.385 0.175 17768
982 1 2 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.385 1.715 17768
983 1 2 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.389 0.611 17768
984 1 2 . 1 1 130 130 VAL H H 127 8.880 8.880 8.751 0.129 17768
985 1 2 . 1 1 131 131 ARG N N 128 126.600 126.600 126.610 -0.010 17768
986 1 2 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.175 -0.215 17768
987 1 2 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.060 1.540 17768
988 1 2 . 1 1 131 131 ARG CB C 128 32.600 32.600 34.069 -1.469 17768
989 1 2 . 1 1 131 131 ARG H H 128 8.720 8.720 7.781 0.939 17768
990 1 2 . 1 1 132 132 PHE N N 129 125.700 125.700 122.913 2.787 17768
991 1 2 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.711 -0.101 17768
992 1 2 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.759 0.841 17768
993 1 2 . 1 1 132 132 PHE CB C 129 42.400 42.400 43.019 -0.619 17768
994 1 2 . 1 1 132 132 PHE H H 129 9.720 9.720 9.352 0.368 17768
995 1 2 . 1 1 133 133 THR N N 130 114.700 114.700 114.858 -0.158 17768
996 1 2 . 1 1 133 133 THR HA H 130 5.070 5.070 5.059 0.011 17768
997 1 2 . 1 1 133 133 THR CA C 130 61.800 61.800 60.268 1.532 17768
998 1 2 . 1 1 133 133 THR CB C 130 71.100 71.100 70.718 0.382 17768
999 1 2 . 1 1 133 133 THR H H 130 9.100 9.100 9.264 -0.164 17768
1000 1 2 . 1 1 134 134 ILE N N 131 123.000 123.000 120.383 2.617 17768
1001 1 2 . 1 1 134 134 ILE CA C 131 61.400 61.400 61.138 0.262 17768
1002 1 2 . 1 1 134 134 ILE H H 131 8.400 8.400 7.932 0.468 17768
1003 1 3 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.893 -0.653 17768
1004 1 3 . 1 1 6 6 TRP CB C 3 29.900 29.900 29.681 0.219 17768
1005 1 3 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.537 0.263 17768
1006 1 3 . 1 1 8 8 LEU CB C 5 39.700 39.700 42.168 -2.468 17768
1007 1 3 . 1 1 9 9 ALA N N 6 122.500 122.500 120.732 1.768 17768
1008 1 3 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.931 -0.951 17768
1009 1 3 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.933 -0.233 17768
1010 1 3 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.346 1.454 17768
1011 1 3 . 1 1 9 9 ALA H H 6 8.150 8.150 8.468 -0.318 17768
1012 1 3 . 1 1 10 10 SER N N 7 112.300 112.300 113.370 -1.070 17768
1013 1 3 . 1 1 10 10 SER HA H 7 3.660 3.660 4.064 -0.404 17768
1014 1 3 . 1 1 10 10 SER CA C 7 62.300 62.300 61.593 0.707 17768
1015 1 3 . 1 1 10 10 SER H H 7 7.910 7.910 8.166 -0.256 17768
1016 1 3 . 1 1 11 11 ARG N N 8 122.300 122.300 120.013 2.287 17768
1017 1 3 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.097 -0.147 17768
1018 1 3 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.536 1.064 17768
1019 1 3 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.171 -0.371 17768
1020 1 3 . 1 1 11 11 ARG H H 8 7.390 7.390 7.376 0.014 17768
1021 1 3 . 1 1 12 12 ALA N N 9 121.500 121.500 123.002 -1.502 17768
1022 1 3 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.755 0.115 17768
1023 1 3 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.288 0.712 17768
1024 1 3 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.811 2.389 17768
1025 1 3 . 1 1 12 12 ALA H H 9 7.720 7.720 7.917 -0.197 17768
1026 1 3 . 1 1 13 13 LEU N N 10 119.000 119.000 119.992 -0.992 17768
1027 1 3 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.822 -0.912 17768
1028 1 3 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.679 -0.079 17768
1029 1 3 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.503 -0.503 17768
1030 1 3 . 1 1 13 13 LEU H H 10 7.940 7.940 7.402 0.538 17768
1031 1 3 . 1 1 14 14 GLN N N 11 119.300 119.300 118.728 0.572 17768
1032 1 3 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.847 -0.497 17768
1033 1 3 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.894 1.806 17768
1034 1 3 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.205 -0.205 17768
1035 1 3 . 1 1 14 14 GLN H H 11 7.390 7.390 8.203 -0.813 17768
1036 1 3 . 1 1 15 15 LYS N N 12 116.200 116.200 119.941 -3.741 17768
1037 1 3 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.082 -0.462 17768
1038 1 3 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.100 -0.800 17768
1039 1 3 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.169 -0.369 17768
1040 1 3 . 1 1 15 15 LYS H H 12 7.470 7.470 7.429 0.041 17768
1041 1 3 . 1 1 16 16 ALA N N 13 121.700 121.700 121.264 0.436 17768
1042 1 3 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.295 -0.125 17768
1043 1 3 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.006 0.394 17768
1044 1 3 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.462 1.137 17768
1045 1 3 . 1 1 16 16 ALA H H 13 8.560 8.560 7.873 0.687 17768
1046 1 3 . 1 1 17 17 THR N N 14 108.700 108.700 116.517 -7.817 17768
1047 1 3 . 1 1 17 17 THR HA H 14 3.650 3.650 4.090 -0.440 17768
1048 1 3 . 1 1 17 17 THR CA C 14 66.500 66.500 67.399 -0.899 17768
1049 1 3 . 1 1 17 17 THR CB C 14 69.300 69.300 68.559 0.741 17768
1050 1 3 . 1 1 17 17 THR H H 14 8.210 8.210 8.054 0.156 17768
1051 1 3 . 1 1 18 18 VAL N N 15 122.600 122.600 121.301 1.299 17768
1052 1 3 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.818 -0.418 17768
1053 1 3 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.668 1.732 17768
1054 1 3 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.346 0.154 17768
1055 1 3 . 1 1 18 18 VAL H H 15 7.570 7.570 8.478 -0.908 17768
1056 1 3 . 1 1 19 19 GLU N N 16 117.400 117.400 120.268 -2.868 17768
1057 1 3 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.076 0.094 17768
1058 1 3 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.689 0.011 17768
1059 1 3 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.444 -0.244 17768
1060 1 3 . 1 1 19 19 GLU H H 16 7.560 7.560 8.060 -0.500 17768
1061 1 3 . 1 1 20 20 ASN N N 17 120.900 120.900 119.042 1.858 17768
1062 1 3 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.759 -0.529 17768
1063 1 3 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.685 0.515 17768
1064 1 3 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.646 -0.746 17768
1065 1 3 . 1 1 20 20 ASN H H 17 8.150 8.150 7.931 0.219 17768
1066 1 3 . 1 1 21 21 LEU N N 18 119.500 119.500 117.859 1.641 17768
1067 1 3 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.136 -0.216 17768
1068 1 3 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.681 2.419 17768
1069 1 3 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.869 0.731 17768
1070 1 3 . 1 1 21 21 LEU H H 18 8.500 8.500 8.248 0.252 17768
1071 1 3 . 1 1 22 22 GLU N N 19 112.100 112.100 114.570 -2.470 17768
1072 1 3 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.229 0.371 17768
1073 1 3 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.663 1.037 17768
1074 1 3 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.201 -0.001 17768
1075 1 3 . 1 1 22 22 GLU H H 19 8.450 8.450 8.109 0.341 17768
1076 1 3 . 1 1 23 23 SER N N 20 110.300 110.300 114.815 -4.515 17768
1077 1 3 . 1 1 23 23 SER HA H 20 4.490 4.490 4.487 0.003 17768
1078 1 3 . 1 1 23 23 SER CA C 20 58.600 58.600 59.797 -1.197 17768
1079 1 3 . 1 1 23 23 SER H H 20 7.570 7.570 7.998 -0.428 17768
1080 1 3 . 1 1 24 24 TYR N N 21 125.300 125.300 124.883 0.417 17768
1081 1 3 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.880 0.700 17768
1082 1 3 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.227 1.474 17768
1083 1 3 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.441 -0.041 17768
1084 1 3 . 1 1 24 24 TYR H H 21 7.560 7.560 8.443 -0.883 17768
1085 1 3 . 1 1 25 25 GLN N N 22 130.000 130.000 127.185 2.815 17768
1086 1 3 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.787 0.063 17768
1087 1 3 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.734 1.066 17768
1088 1 3 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.869 0.431 17768
1089 1 3 . 1 1 25 25 GLN H H 22 8.710 8.710 7.928 0.782 17768
1090 1 3 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.142 -0.132 17768
1091 1 3 . 1 1 27 27 LEU N N 24 112.400 112.400 116.832 -4.432 17768
1092 1 3 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.163 0.047 17768
1093 1 3 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.925 0.375 17768
1094 1 3 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.012 1.088 17768
1095 1 3 . 1 1 27 27 LEU H H 24 6.720 6.720 8.025 -1.305 17768
1096 1 3 . 1 1 28 28 MET N N 25 116.900 116.900 115.844 1.056 17768
1097 1 3 . 1 1 28 28 MET HA H 25 4.510 4.510 4.170 0.340 17768
1098 1 3 . 1 1 28 28 MET CA C 25 55.900 55.900 58.544 -2.644 17768
1099 1 3 . 1 1 28 28 MET CB C 25 29.100 29.100 32.753 -3.653 17768
1100 1 3 . 1 1 28 28 MET H H 25 7.620 7.620 7.399 0.221 17768
1101 1 3 . 1 1 29 29 GLU N N 26 116.100 116.100 114.263 1.837 17768
1102 1 3 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.346 -0.206 17768
1103 1 3 . 1 1 29 29 GLU CA C 26 58.400 58.400 56.790 1.610 17768
1104 1 3 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.760 0.540 17768
1105 1 3 . 1 1 29 29 GLU H H 26 8.060 8.060 8.072 -0.012 17768
1106 1 3 . 1 1 30 30 MET N N 27 115.100 115.100 118.166 -3.066 17768
1107 1 3 . 1 1 30 30 MET HA H 27 4.450 4.450 4.548 -0.098 17768
1108 1 3 . 1 1 30 30 MET CA C 27 57.000 57.000 55.617 1.383 17768
1109 1 3 . 1 1 30 30 MET CB C 27 36.500 36.500 35.241 1.259 17768
1110 1 3 . 1 1 30 30 MET H H 27 7.920 7.920 7.528 0.392 17768
1111 1 3 . 1 1 31 31 VAL N N 28 107.100 107.100 118.126 -11.026 17768
1112 1 3 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.398 0.312 17768
1113 1 3 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.595 -1.995 17768
1114 1 3 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.031 2.469 17768
1115 1 3 . 1 1 31 31 VAL H H 28 7.180 7.180 8.078 -0.898 17768
1116 1 3 . 1 1 32 32 ASN N N 29 115.300 115.300 123.835 -8.535 17768
1117 1 3 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.761 -0.061 17768
1118 1 3 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.858 1.942 17768
1119 1 3 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.739 0.661 17768
1120 1 3 . 1 1 32 32 ASN H H 29 8.670 8.670 9.061 -0.391 17768
1121 1 3 . 1 1 33 33 GLN N N 30 108.900 108.900 119.508 -10.608 17768
1122 1 3 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.538 0.082 17768
1123 1 3 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.241 0.359 17768
1124 1 3 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.908 0.492 17768
1125 1 3 . 1 1 33 33 GLN H H 30 7.190 7.190 8.126 -0.936 17768
1126 1 3 . 1 1 34 34 VAL N N 31 122.000 122.000 120.904 1.096 17768
1127 1 3 . 1 1 34 34 VAL HA H 31 4.910 4.910 5.172 -0.262 17768
1128 1 3 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.545 1.054 17768
1129 1 3 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.593 2.207 17768
1130 1 3 . 1 1 34 34 VAL H H 31 8.860 8.860 7.900 0.960 17768
1131 1 3 . 1 1 35 35 THR N N 32 119.200 119.200 123.903 -4.703 17768
1132 1 3 . 1 1 35 35 THR HA H 32 4.900 4.900 4.644 0.256 17768
1133 1 3 . 1 1 35 35 THR CA C 32 59.100 59.100 60.613 -1.513 17768
1134 1 3 . 1 1 35 35 THR CB C 32 70.100 70.100 70.886 -0.786 17768
1135 1 3 . 1 1 35 35 THR H H 32 8.910 8.910 8.743 0.167 17768
1136 1 3 . 1 1 36 36 GLU H H 33 8.200 8.200 8.682 -0.482 17768
1137 1 3 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.470 -0.350 17768
1138 1 3 . 1 1 39 39 GLY N N 36 111.100 111.100 108.004 3.096 17768
1139 1 3 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.305 -0.605 17768
1140 1 3 . 1 1 39 39 GLY H H 36 8.570 8.570 8.601 -0.031 17768
1141 1 3 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.075 -0.255 17768
1142 1 3 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.460 0.340 17768
1143 1 3 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.826 0.774 17768
1144 1 3 . 1 1 40 40 LYS H H 37 7.070 7.070 8.550 -1.480 17768
1145 1 3 . 1 1 41 41 ASP N N 38 116.100 116.100 118.353 -2.253 17768
1146 1 3 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.677 -0.107 17768
1147 1 3 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.116 0.384 17768
1148 1 3 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.933 -0.133 17768
1149 1 3 . 1 1 41 41 ASP H H 38 8.250 8.250 8.239 0.011 17768
1150 1 3 . 1 1 42 42 ASP N N 39 123.300 123.300 120.766 2.534 17768
1151 1 3 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.751 -0.301 17768
1152 1 3 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.066 1.433 17768
1153 1 3 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.500 -2.200 17768
1154 1 3 . 1 1 42 42 ASP H H 39 7.070 7.070 7.259 -0.189 17768
1155 1 3 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.469 -0.169 17768
1156 1 3 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.969 -0.469 17768
1157 1 3 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.322 -0.222 17768
1158 1 3 . 1 1 44 44 TYR N N 41 122.700 122.700 121.719 0.981 17768
1159 1 3 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.880 -0.280 17768
1160 1 3 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.481 -1.381 17768
1161 1 3 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.360 -0.860 17768
1162 1 3 . 1 1 44 44 TYR H H 41 8.200 8.200 8.690 -0.490 17768
1163 1 3 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.240 0.360 17768
1164 1 3 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.607 -0.107 17768
1165 1 3 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.595 2.505 17768
1166 1 3 . 1 1 46 46 TYR N N 43 113.000 113.000 116.312 -3.312 17768
1167 1 3 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.825 0.335 17768
1168 1 3 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.409 0.291 17768
1169 1 3 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.758 1.142 17768
1170 1 3 . 1 1 46 46 TYR H H 43 8.640 8.640 8.541 0.099 17768
1171 1 3 . 1 1 47 47 VAL N N 44 118.300 118.300 119.609 -1.309 17768
1172 1 3 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.809 0.691 17768
1173 1 3 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.647 0.153 17768
1174 1 3 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.613 -0.313 17768
1175 1 3 . 1 1 47 47 VAL H H 44 8.210 8.210 8.231 -0.021 17768
1176 1 3 . 1 1 48 48 VAL N N 45 127.100 127.100 122.656 4.444 17768
1177 1 3 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.406 0.104 17768
1178 1 3 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.600 0.100 17768
1179 1 3 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.681 0.619 17768
1180 1 3 . 1 1 48 48 VAL H H 45 9.960 9.960 8.877 1.083 17768
1181 1 3 . 1 1 49 49 ILE N N 46 126.500 126.500 125.982 0.518 17768
1182 1 3 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.744 -0.754 17768
1183 1 3 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.747 0.153 17768
1184 1 3 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.368 -0.168 17768
1185 1 3 . 1 1 49 49 ILE H H 46 8.160 8.160 8.806 -0.646 17768
1186 1 3 . 1 1 50 50 GLY N N 47 116.200 116.200 114.232 1.968 17768
1187 1 3 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.122 -0.222 17768
1188 1 3 . 1 1 50 50 GLY H H 47 8.100 8.100 8.853 -0.753 17768
1189 1 3 . 1 1 51 51 ASP N N 48 118.000 118.000 119.169 -1.169 17768
1190 1 3 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.866 -0.376 17768
1191 1 3 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.564 1.336 17768
1192 1 3 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.253 -1.753 17768
1193 1 3 . 1 1 51 51 ASP H H 48 8.150 8.150 8.293 -0.143 17768
1194 1 3 . 1 1 52 52 GLN N N 49 118.000 118.000 120.577 -2.577 17768
1195 1 3 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.757 0.153 17768
1196 1 3 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.488 0.512 17768
1197 1 3 . 1 1 52 52 GLN CB C 49 31.100 31.100 32.164 -1.064 17768
1198 1 3 . 1 1 52 52 GLN H H 49 8.400 8.400 8.380 0.019 17768
1199 1 3 . 1 1 53 53 SER N N 50 115.900 115.900 114.914 0.986 17768
1200 1 3 . 1 1 53 53 SER CA C 50 58.200 58.200 57.652 0.548 17768
1201 1 3 . 1 1 53 53 SER CB C 50 64.700 64.700 64.438 0.262 17768
1202 1 3 . 1 1 53 53 SER H H 50 8.770 8.770 8.243 0.527 17768
1203 1 3 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.686 -0.386 17768
1204 1 3 . 1 1 57 57 PHE N N 54 126.200 126.200 120.726 5.474 17768
1205 1 3 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.683 0.177 17768
1206 1 3 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.215 -3.115 17768
1207 1 3 . 1 1 57 57 PHE CB C 54 40.400 40.400 42.037 -1.637 17768
1208 1 3 . 1 1 57 57 PHE H H 54 8.620 8.620 8.096 0.524 17768
1209 1 3 . 1 1 59 59 THR HA H 56 4.910 4.910 4.248 0.662 17768
1210 1 3 . 1 1 60 60 LYS N N 57 123.900 123.900 120.099 3.801 17768
1211 1 3 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.749 -0.079 17768
1212 1 3 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.349 0.551 17768
1213 1 3 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.424 -2.024 17768
1214 1 3 . 1 1 60 60 LYS H H 57 8.760 8.760 8.457 0.303 17768
1215 1 3 . 1 1 61 61 SER N N 58 113.900 113.900 115.725 -1.825 17768
1216 1 3 . 1 1 61 61 SER HA H 58 4.690 4.690 4.654 0.036 17768
1217 1 3 . 1 1 61 61 SER CA C 58 55.000 55.000 58.493 -3.493 17768
1218 1 3 . 1 1 61 61 SER CB C 58 63.000 63.000 63.422 -0.422 17768
1219 1 3 . 1 1 61 61 SER H H 58 8.400 8.400 7.822 0.578 17768
1220 1 3 . 1 1 66 66 ASN N N 63 117.100 117.100 119.045 -1.945 17768
1221 1 3 . 1 1 66 66 ASN HA H 63 5.660 5.660 4.996 0.664 17768
1222 1 3 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.620 0.480 17768
1223 1 3 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.176 0.224 17768
1224 1 3 . 1 1 66 66 ASN H H 63 8.260 8.260 8.488 -0.228 17768
1225 1 3 . 1 1 67 67 ILE N N 64 120.300 120.300 119.928 0.372 17768
1226 1 3 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.547 0.073 17768
1227 1 3 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.882 0.418 17768
1228 1 3 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.897 2.303 17768
1229 1 3 . 1 1 67 67 ILE H H 64 8.910 8.910 8.443 0.467 17768
1230 1 3 . 1 1 68 68 THR N N 65 124.100 124.100 119.576 4.524 17768
1231 1 3 . 1 1 68 68 THR HA H 65 5.490 5.490 4.641 0.849 17768
1232 1 3 . 1 1 68 68 THR CA C 65 61.900 61.900 61.299 0.601 17768
1233 1 3 . 1 1 68 68 THR CB C 65 70.200 70.200 69.937 0.263 17768
1234 1 3 . 1 1 68 68 THR H H 65 8.940 8.940 8.358 0.582 17768
1235 1 3 . 1 1 69 69 MET N N 66 126.700 126.700 124.533 2.167 17768
1236 1 3 . 1 1 69 69 MET HA H 66 5.050 5.050 4.835 0.215 17768
1237 1 3 . 1 1 69 69 MET CA C 66 55.100 55.100 54.933 0.167 17768
1238 1 3 . 1 1 69 69 MET CB C 66 38.100 38.100 38.050 0.049 17768
1239 1 3 . 1 1 69 69 MET H H 66 9.200 9.200 8.885 0.315 17768
1240 1 3 . 1 1 70 70 ASP N N 67 123.500 123.500 119.511 3.989 17768
1241 1 3 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.193 0.217 17768
1242 1 3 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.932 0.068 17768
1243 1 3 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.963 -1.463 17768
1244 1 3 . 1 1 70 70 ASP H H 67 7.720 7.720 8.049 -0.329 17768
1245 1 3 . 1 1 71 71 PHE N N 68 116.900 116.900 119.804 -2.904 17768
1246 1 3 . 1 1 71 71 PHE HA H 68 4.830 4.830 4.977 -0.147 17768
1247 1 3 . 1 1 71 71 PHE CA C 68 57.000 57.000 56.000 1.000 17768
1248 1 3 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.463 1.537 17768
1249 1 3 . 1 1 71 71 PHE H H 68 9.130 9.130 8.905 0.225 17768
1250 1 3 . 1 1 72 72 HIS N N 69 120.400 120.400 120.864 -0.464 17768
1251 1 3 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.033 0.397 17768
1252 1 3 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.441 0.759 17768
1253 1 3 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.069 4.032 17768
1254 1 3 . 1 1 72 72 HIS H H 69 9.350 9.350 9.345 0.005 17768
1255 1 3 . 1 1 73 73 VAL N N 70 124.900 124.900 122.939 1.961 17768
1256 1 3 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.332 0.108 17768
1257 1 3 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.197 0.804 17768
1258 1 3 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.206 0.094 17768
1259 1 3 . 1 1 73 73 VAL H H 70 9.610 9.610 8.347 1.263 17768
1260 1 3 . 1 1 74 74 TRP N N 71 129.500 129.500 126.232 3.268 17768
1261 1 3 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.403 -0.463 17768
1262 1 3 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.714 0.086 17768
1263 1 3 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.685 -1.685 17768
1264 1 3 . 1 1 74 74 TRP H H 71 8.790 8.790 8.700 0.090 17768
1265 1 3 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.285 0.115 17768
1266 1 3 . 1 1 76 76 GLY N N 73 105.500 105.500 108.317 -2.817 17768
1267 1 3 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.684 -0.884 17768
1268 1 3 . 1 1 76 76 GLY H H 73 8.710 8.710 8.617 0.093 17768
1269 1 3 . 1 1 77 77 THR N N 74 114.200 114.200 114.200 0.000 17768
1270 1 3 . 1 1 77 77 THR HA H 74 4.460 4.460 4.378 0.082 17768
1271 1 3 . 1 1 77 77 THR CA C 74 62.700 62.700 62.815 -0.115 17768
1272 1 3 . 1 1 77 77 THR CB C 74 70.000 70.000 70.396 -0.396 17768
1273 1 3 . 1 1 77 77 THR H H 74 9.010 9.010 8.027 0.983 17768
1274 1 3 . 1 1 78 78 THR N N 75 110.800 110.800 118.374 -7.574 17768
1275 1 3 . 1 1 78 78 THR CA C 75 59.100 59.100 61.218 -2.118 17768
1276 1 3 . 1 1 78 78 THR H H 75 7.960 7.960 7.950 0.010 17768
1277 1 3 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.262 1.038 17768
1278 1 3 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.963 -0.363 17768
1279 1 3 . 1 1 80 80 ALA N N 77 120.500 120.500 122.349 -1.849 17768
1280 1 3 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.141 -0.121 17768
1281 1 3 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.647 0.753 17768
1282 1 3 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.244 0.456 17768
1283 1 3 . 1 1 80 80 ALA H H 77 8.290 8.290 8.335 -0.045 17768
1284 1 3 . 1 1 81 81 GLU N N 78 118.800 118.800 119.090 -0.290 17768
1285 1 3 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.147 -0.107 17768
1286 1 3 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.097 0.603 17768
1287 1 3 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.436 1.064 17768
1288 1 3 . 1 1 81 81 GLU H H 78 7.930 7.930 8.209 -0.279 17768
1289 1 3 . 1 1 82 82 ALA N N 79 119.700 119.700 120.954 -1.254 17768
1290 1 3 . 1 1 82 82 ALA HA H 79 3.880 3.880 3.961 -0.081 17768
1291 1 3 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.380 0.120 17768
1292 1 3 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.334 0.066 17768
1293 1 3 . 1 1 82 82 ALA H H 79 7.470 7.470 7.632 -0.162 17768
1294 1 3 . 1 1 83 83 GLN N N 80 120.700 120.700 117.818 2.882 17768
1295 1 3 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.003 -0.173 17768
1296 1 3 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.968 0.232 17768
1297 1 3 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.721 -0.021 17768
1298 1 3 . 1 1 83 83 GLN H H 80 8.690 8.690 7.761 0.929 17768
1299 1 3 . 1 1 84 84 ASP N N 81 123.100 123.100 121.740 1.360 17768
1300 1 3 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.425 -0.055 17768
1301 1 3 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.707 0.793 17768
1302 1 3 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.726 -0.426 17768
1303 1 3 . 1 1 84 84 ASP H H 81 8.480 8.480 8.080 0.400 17768
1304 1 3 . 1 1 85 85 ILE N N 82 119.300 119.300 116.912 2.388 17768
1305 1 3 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.805 -0.265 17768
1306 1 3 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.313 1.387 17768
1307 1 3 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.468 1.032 17768
1308 1 3 . 1 1 85 85 ILE H H 82 8.340 8.340 8.548 -0.208 17768
1309 1 3 . 1 1 86 86 SER N N 83 114.800 114.800 116.555 -1.755 17768
1310 1 3 . 1 1 86 86 SER HA H 83 4.560 4.560 4.074 0.486 17768
1311 1 3 . 1 1 86 86 SER CA C 83 63.500 63.500 61.619 1.881 17768
1312 1 3 . 1 1 86 86 SER H H 83 7.880 7.880 7.916 -0.036 17768
1313 1 3 . 1 1 87 87 SER N N 84 117.400 117.400 118.524 -1.124 17768
1314 1 3 . 1 1 87 87 SER HA H 84 4.400 4.400 4.144 0.256 17768
1315 1 3 . 1 1 87 87 SER CA C 84 58.100 58.100 62.255 -4.155 17768
1316 1 3 . 1 1 87 87 SER H H 84 8.320 8.320 7.743 0.577 17768
1317 1 3 . 1 1 88 88 ARG N N 85 121.100 121.100 122.050 -0.950 17768
1318 1 3 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.130 -0.040 17768
1319 1 3 . 1 1 88 88 ARG CA C 85 58.700 58.700 59.521 -0.821 17768
1320 1 3 . 1 1 88 88 ARG H H 85 7.780 7.780 8.275 -0.495 17768
1321 1 3 . 1 1 89 89 VAL N N 86 121.200 121.200 120.369 0.831 17768
1322 1 3 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.612 -0.252 17768
1323 1 3 . 1 1 89 89 VAL CA C 86 67.500 67.500 65.821 1.679 17768
1324 1 3 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.593 -0.593 17768
1325 1 3 . 1 1 89 89 VAL H H 86 8.190 8.190 8.067 0.123 17768
1326 1 3 . 1 1 90 90 LEU N N 87 117.500 117.500 118.867 -1.367 17768
1327 1 3 . 1 1 90 90 LEU HA H 87 3.690 3.690 4.087 -0.397 17768
1328 1 3 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.141 0.159 17768
1329 1 3 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.119 1.181 17768
1330 1 3 . 1 1 90 90 LEU H H 87 7.330 7.330 7.859 -0.529 17768
1331 1 3 . 1 1 91 91 GLU N N 88 118.500 118.500 120.582 -2.082 17768
1332 1 3 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.879 -0.259 17768
1333 1 3 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.793 0.307 17768
1334 1 3 . 1 1 91 91 GLU CB C 88 30.600 30.600 28.985 1.615 17768
1335 1 3 . 1 1 91 91 GLU H H 88 7.810 7.810 8.204 -0.394 17768
1336 1 3 . 1 1 92 92 ALA N N 89 121.800 121.800 121.229 0.571 17768
1337 1 3 . 1 1 92 92 ALA HA H 89 3.060 3.060 4.010 -0.950 17768
1338 1 3 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.855 -0.455 17768
1339 1 3 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.706 1.494 17768
1340 1 3 . 1 1 92 92 ALA H H 89 7.820 7.820 7.616 0.204 17768
1341 1 3 . 1 1 93 93 LEU N N 90 113.600 113.600 115.966 -2.366 17768
1342 1 3 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.097 -0.077 17768
1343 1 3 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.639 -0.439 17768
1344 1 3 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.025 1.675 17768
1345 1 3 . 1 1 93 93 LEU H H 90 7.570 7.570 7.925 -0.355 17768
1346 1 3 . 1 1 94 94 THR N N 91 102.400 102.400 109.020 -6.620 17768
1347 1 3 . 1 1 94 94 THR HA H 91 4.510 4.510 4.499 0.011 17768
1348 1 3 . 1 1 94 94 THR CA C 91 61.500 61.500 61.660 -0.160 17768
1349 1 3 . 1 1 94 94 THR CB C 91 71.300 71.300 69.299 2.001 17768
1350 1 3 . 1 1 94 94 THR H H 91 7.280 7.280 7.477 -0.197 17768
1351 1 3 . 1 1 95 95 TYR N N 92 123.600 123.600 124.888 -1.288 17768
1352 1 3 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.293 0.037 17768
1353 1 3 . 1 1 95 95 TYR CA C 92 59.700 59.700 60.293 -0.593 17768
1354 1 3 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.414 -1.814 17768
1355 1 3 . 1 1 95 95 TYR H H 92 7.900 7.900 8.054 -0.154 17768
1356 1 3 . 1 1 96 96 LYS N N 93 117.500 117.500 119.334 -1.834 17768
1357 1 3 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.501 0.049 17768
1358 1 3 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.658 1.042 17768
1359 1 3 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.956 0.544 17768
1360 1 3 . 1 1 96 96 LYS H H 93 7.000 7.000 8.262 -1.262 17768
1361 1 3 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.492 -0.122 17768
1362 1 3 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.429 1.171 17768
1363 1 3 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.441 0.259 17768
1364 1 3 . 1 1 98 98 LEU N N 95 125.400 125.400 124.604 0.796 17768
1365 1 3 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.535 0.085 17768
1366 1 3 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.801 -1.002 17768
1367 1 3 . 1 1 98 98 LEU CB C 95 43.600 43.600 39.912 3.688 17768
1368 1 3 . 1 1 98 98 LEU H H 95 8.380 8.380 8.650 -0.270 17768
1369 1 3 . 1 1 99 99 MET N N 96 123.100 123.100 122.390 0.710 17768
1370 1 3 . 1 1 99 99 MET HA H 96 5.480 5.480 4.946 0.534 17768
1371 1 3 . 1 1 99 99 MET CA C 96 55.200 55.200 54.565 0.635 17768
1372 1 3 . 1 1 99 99 MET CB C 96 37.200 37.200 37.175 0.025 17768
1373 1 3 . 1 1 99 99 MET H H 96 8.480 8.480 8.310 0.170 17768
1374 1 3 . 1 1 100 100 PHE N N 97 122.900 122.900 124.067 -1.167 17768
1375 1 3 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.007 -0.617 17768
1376 1 3 . 1 1 100 100 PHE CA C 97 60.300 60.300 58.064 2.236 17768
1377 1 3 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.366 1.734 17768
1378 1 3 . 1 1 100 100 PHE H H 97 8.640 8.640 9.077 -0.437 17768
1379 1 3 . 1 1 101 101 GLU N N 98 125.300 125.300 123.883 1.417 17768
1380 1 3 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.644 -0.214 17768
1381 1 3 . 1 1 101 101 GLU CA C 98 58.200 58.200 57.949 0.251 17768
1382 1 3 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.835 0.564 17768
1383 1 3 . 1 1 101 101 GLU H H 98 8.640 8.640 8.631 0.009 17768
1384 1 3 . 1 1 102 102 GLY N N 99 107.100 107.100 107.146 -0.046 17768
1385 1 3 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.489 1.211 17768
1386 1 3 . 1 1 102 102 GLY H H 99 8.250 8.250 7.471 0.779 17768
1387 1 3 . 1 1 103 103 PHE N N 100 120.200 120.200 121.013 -0.813 17768
1388 1 3 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.666 0.064 17768
1389 1 3 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.040 1.860 17768
1390 1 3 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.266 1.734 17768
1391 1 3 . 1 1 103 103 PHE H H 100 8.310 8.310 7.826 0.484 17768
1392 1 3 . 1 1 104 104 THR N N 101 116.100 116.100 120.147 -4.047 17768
1393 1 3 . 1 1 104 104 THR HA H 101 4.970 4.970 4.422 0.548 17768
1394 1 3 . 1 1 104 104 THR CA C 101 61.900 61.900 61.348 0.552 17768
1395 1 3 . 1 1 104 104 THR CB C 101 71.400 71.400 70.588 0.812 17768
1396 1 3 . 1 1 104 104 THR H H 101 8.250 8.250 8.438 -0.189 17768
1397 1 3 . 1 1 105 105 PHE N N 102 123.200 123.200 124.802 -1.602 17768
1398 1 3 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.202 0.408 17768
1399 1 3 . 1 1 105 105 PHE CA C 102 55.600 55.600 54.968 0.632 17768
1400 1 3 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.983 1.617 17768
1401 1 3 . 1 1 105 105 PHE H H 102 8.840 8.840 7.630 1.210 17768
1402 1 3 . 1 1 106 106 VAL N N 103 120.000 120.000 122.918 -2.918 17768
1403 1 3 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.459 0.041 17768
1404 1 3 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.192 0.008 17768
1405 1 3 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.404 0.796 17768
1406 1 3 . 1 1 106 106 VAL H H 103 8.460 8.460 9.186 -0.726 17768
1407 1 3 . 1 1 107 107 ALA N N 104 130.400 130.400 131.159 -0.759 17768
1408 1 3 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.394 -0.554 17768
1409 1 3 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.547 0.853 17768
1410 1 3 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.763 -1.963 17768
1411 1 3 . 1 1 107 107 ALA H H 104 9.210 9.210 8.712 0.498 17768
1412 1 3 . 1 1 108 108 LYS N N 105 127.100 127.100 124.319 2.781 17768
1413 1 3 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.541 -0.311 17768
1414 1 3 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.158 1.042 17768
1415 1 3 . 1 1 108 108 LYS H H 105 8.670 8.670 8.784 -0.114 17768
1416 1 3 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.189 0.311 17768
1417 1 3 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.804 0.396 17768
1418 1 3 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.358 1.142 17768
1419 1 3 . 1 1 116 116 ILE N N 113 125.200 125.200 125.538 -0.338 17768
1420 1 3 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.431 0.089 17768
1421 1 3 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.915 -0.015 17768
1422 1 3 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.167 1.533 17768
1423 1 3 . 1 1 116 116 ILE H H 113 8.760 8.760 8.199 0.561 17768
1424 1 3 . 1 1 117 117 THR N N 114 119.000 119.000 118.864 0.136 17768
1425 1 3 . 1 1 117 117 THR HA H 114 4.560 4.560 4.633 -0.073 17768
1426 1 3 . 1 1 117 117 THR CA C 114 62.300 62.300 61.836 0.464 17768
1427 1 3 . 1 1 117 117 THR CB C 114 69.400 69.400 69.698 -0.298 17768
1428 1 3 . 1 1 117 117 THR H H 114 8.380 8.380 8.258 0.122 17768
1429 1 3 . 1 1 118 118 ASP N N 115 126.200 126.200 126.692 -0.492 17768
1430 1 3 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.855 -0.205 17768
1431 1 3 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.932 0.568 17768
1432 1 3 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.142 1.158 17768
1433 1 3 . 1 1 118 118 ASP H H 115 8.920 8.920 8.620 0.300 17768
1434 1 3 . 1 1 119 119 THR HA H 116 3.990 3.990 4.063 -0.073 17768
1435 1 3 . 1 1 119 119 THR CA C 116 64.800 64.800 64.834 -0.034 17768
1436 1 3 . 1 1 119 119 THR CB C 116 69.200 69.200 68.738 0.462 17768
1437 1 3 . 1 1 120 120 ASP N N 117 120.500 120.500 119.663 0.837 17768
1438 1 3 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.344 0.456 17768
1439 1 3 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.260 -1.560 17768
1440 1 3 . 1 1 120 120 ASP H H 117 8.360 8.360 8.172 0.188 17768
1441 1 3 . 1 1 121 121 GLY N N 118 108.600 108.600 109.691 -1.091 17768
1442 1 3 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.200 0.600 17768
1443 1 3 . 1 1 121 121 GLY H H 118 8.310 8.310 7.994 0.316 17768
1444 1 3 . 1 1 122 122 VAL N N 119 118.600 118.600 119.381 -0.781 17768
1445 1 3 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.266 -0.066 17768
1446 1 3 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.242 1.958 17768
1447 1 3 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.363 2.637 17768
1448 1 3 . 1 1 122 122 VAL H H 119 8.500 8.500 7.878 0.622 17768
1449 1 3 . 1 1 123 123 THR N N 120 123.300 123.300 121.801 1.499 17768
1450 1 3 . 1 1 123 123 THR HA H 120 4.030 4.030 4.251 -0.221 17768
1451 1 3 . 1 1 123 123 THR CA C 120 64.800 64.800 63.392 1.408 17768
1452 1 3 . 1 1 123 123 THR CB C 120 68.400 68.400 69.088 -0.688 17768
1453 1 3 . 1 1 123 123 THR H H 120 9.700 9.700 8.207 1.493 17768
1454 1 3 . 1 1 124 124 LYS N N 121 125.500 125.500 127.959 -2.459 17768
1455 1 3 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.719 -0.169 17768
1456 1 3 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.447 -1.147 17768
1457 1 3 . 1 1 124 124 LYS H H 121 8.650 8.650 8.333 0.317 17768
1458 1 3 . 1 1 125 125 HIS N N 122 121.400 121.400 122.620 -1.220 17768
1459 1 3 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.136 -0.056 17768
1460 1 3 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.619 -3.019 17768
1461 1 3 . 1 1 125 125 HIS CB C 122 31.600 31.600 31.161 0.439 17768
1462 1 3 . 1 1 125 125 HIS H H 122 8.580 8.580 8.695 -0.115 17768
1463 1 3 . 1 1 126 126 GLY N N 123 114.000 114.000 112.514 1.486 17768
1464 1 3 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.178 0.021 17768
1465 1 3 . 1 1 126 126 GLY H H 123 10.010 10.010 8.446 1.564 17768
1466 1 3 . 1 1 127 127 ILE N N 124 124.000 124.000 122.826 1.174 17768
1467 1 3 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.917 -0.437 17768
1468 1 3 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.497 1.203 17768
1469 1 3 . 1 1 127 127 ILE CB C 124 41.100 41.100 41.067 0.033 17768
1470 1 3 . 1 1 127 127 ILE H H 124 8.740 8.740 8.214 0.526 17768
1471 1 3 . 1 1 128 128 ILE N N 125 126.200 126.200 130.012 -3.812 17768
1472 1 3 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.426 0.354 17768
1473 1 3 . 1 1 128 128 ILE CA C 125 60.100 60.100 59.898 0.202 17768
1474 1 3 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.317 2.483 17768
1475 1 3 . 1 1 128 128 ILE H H 125 8.640 8.640 8.863 -0.223 17768
1476 1 3 . 1 1 129 129 LYS N N 126 126.300 126.300 128.430 -2.130 17768
1477 1 3 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.931 0.479 17768
1478 1 3 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.205 1.395 17768
1479 1 3 . 1 1 129 129 LYS CB C 126 36.100 36.100 33.719 2.381 17768
1480 1 3 . 1 1 129 129 LYS H H 126 8.990 8.990 8.404 0.586 17768
1481 1 3 . 1 1 130 130 VAL N N 127 126.300 126.300 123.919 2.381 17768
1482 1 3 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.194 0.366 17768
1483 1 3 . 1 1 130 130 VAL CA C 127 61.100 61.100 61.282 -0.182 17768
1484 1 3 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.530 0.470 17768
1485 1 3 . 1 1 130 130 VAL H H 127 8.880 8.880 8.830 0.050 17768
1486 1 3 . 1 1 131 131 ARG N N 128 126.600 126.600 124.475 2.125 17768
1487 1 3 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.139 -0.179 17768
1488 1 3 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.355 1.245 17768
1489 1 3 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.404 0.196 17768
1490 1 3 . 1 1 131 131 ARG H H 128 8.720 8.720 8.366 0.354 17768
1491 1 3 . 1 1 132 132 PHE N N 129 125.700 125.700 121.100 4.600 17768
1492 1 3 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.561 0.049 17768
1493 1 3 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.464 0.136 17768
1494 1 3 . 1 1 132 132 PHE CB C 129 42.400 42.400 43.479 -1.079 17768
1495 1 3 . 1 1 132 132 PHE H H 129 9.720 9.720 9.369 0.351 17768
1496 1 3 . 1 1 133 133 THR N N 130 114.700 114.700 116.335 -1.635 17768
1497 1 3 . 1 1 133 133 THR HA H 130 5.070 5.070 4.838 0.232 17768
1498 1 3 . 1 1 133 133 THR CA C 130 61.800 61.800 62.007 -0.207 17768
1499 1 3 . 1 1 133 133 THR CB C 130 71.100 71.100 72.441 -1.341 17768
1500 1 3 . 1 1 133 133 THR H H 130 9.100 9.100 9.226 -0.126 17768
1501 1 3 . 1 1 134 134 ILE N N 131 123.000 123.000 123.815 -0.815 17768
1502 1 3 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.153 1.247 17768
1503 1 3 . 1 1 134 134 ILE H H 131 8.400 8.400 8.242 0.158 17768
1504 1 4 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.896 -0.656 17768
1505 1 4 . 1 1 6 6 TRP CB C 3 29.900 29.900 31.424 -1.524 17768
1506 1 4 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.243 1.557 17768
1507 1 4 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.609 -1.909 17768
1508 1 4 . 1 1 9 9 ALA N N 6 122.500 122.500 121.521 0.979 17768
1509 1 4 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.926 -0.946 17768
1510 1 4 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.144 -0.444 17768
1511 1 4 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.832 0.968 17768
1512 1 4 . 1 1 9 9 ALA H H 6 8.150 8.150 7.440 0.710 17768
1513 1 4 . 1 1 10 10 SER N N 7 112.300 112.300 114.248 -1.948 17768
1514 1 4 . 1 1 10 10 SER HA H 7 3.660 3.660 3.806 -0.146 17768
1515 1 4 . 1 1 10 10 SER CA C 7 62.300 62.300 61.206 1.094 17768
1516 1 4 . 1 1 10 10 SER H H 7 7.910 7.910 7.683 0.227 17768
1517 1 4 . 1 1 11 11 ARG N N 8 122.300 122.300 119.932 2.368 17768
1518 1 4 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.112 -0.162 17768
1519 1 4 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.699 0.901 17768
1520 1 4 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.082 -0.282 17768
1521 1 4 . 1 1 11 11 ARG H H 8 7.390 7.390 7.707 -0.317 17768
1522 1 4 . 1 1 12 12 ALA N N 9 121.500 121.500 122.726 -1.226 17768
1523 1 4 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.791 0.079 17768
1524 1 4 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.280 0.720 17768
1525 1 4 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.927 2.272 17768
1526 1 4 . 1 1 12 12 ALA H H 9 7.720 7.720 7.893 -0.173 17768
1527 1 4 . 1 1 13 13 LEU N N 10 119.000 119.000 119.038 -0.038 17768
1528 1 4 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.973 -1.063 17768
1529 1 4 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.295 0.305 17768
1530 1 4 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.789 -0.789 17768
1531 1 4 . 1 1 13 13 LEU H H 10 7.940 7.940 7.279 0.661 17768
1532 1 4 . 1 1 14 14 GLN N N 11 119.300 119.300 118.326 0.974 17768
1533 1 4 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.975 -0.625 17768
1534 1 4 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.564 2.136 17768
1535 1 4 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.317 -0.317 17768
1536 1 4 . 1 1 14 14 GLN H H 11 7.390 7.390 8.228 -0.838 17768
1537 1 4 . 1 1 15 15 LYS N N 12 116.200 116.200 119.788 -3.588 17768
1538 1 4 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.088 -0.468 17768
1539 1 4 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.633 -0.333 17768
1540 1 4 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.250 0.549 17768
1541 1 4 . 1 1 15 15 LYS H H 12 7.470 7.470 7.521 -0.051 17768
1542 1 4 . 1 1 16 16 ALA N N 13 121.700 121.700 122.631 -0.931 17768
1543 1 4 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.225 -0.055 17768
1544 1 4 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.023 0.377 17768
1545 1 4 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.286 1.314 17768
1546 1 4 . 1 1 16 16 ALA H H 13 8.560 8.560 7.714 0.846 17768
1547 1 4 . 1 1 17 17 THR N N 14 108.700 108.700 112.693 -3.993 17768
1548 1 4 . 1 1 17 17 THR HA H 14 3.650 3.650 4.276 -0.626 17768
1549 1 4 . 1 1 17 17 THR CA C 14 66.500 66.500 65.724 0.776 17768
1550 1 4 . 1 1 17 17 THR CB C 14 69.300 69.300 69.149 0.151 17768
1551 1 4 . 1 1 17 17 THR H H 14 8.210 8.210 7.929 0.281 17768
1552 1 4 . 1 1 18 18 VAL N N 15 122.600 122.600 118.434 4.166 17768
1553 1 4 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.726 -0.326 17768
1554 1 4 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.069 2.331 17768
1555 1 4 . 1 1 18 18 VAL CB C 15 31.500 31.500 30.738 0.762 17768
1556 1 4 . 1 1 18 18 VAL H H 15 7.570 7.570 8.143 -0.573 17768
1557 1 4 . 1 1 19 19 GLU N N 16 117.400 117.400 120.826 -3.426 17768
1558 1 4 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.025 0.145 17768
1559 1 4 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.733 -0.034 17768
1560 1 4 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.474 -0.274 17768
1561 1 4 . 1 1 19 19 GLU H H 16 7.560 7.560 8.221 -0.661 17768
1562 1 4 . 1 1 20 20 ASN N N 17 120.900 120.900 119.210 1.690 17768
1563 1 4 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.754 -0.524 17768
1564 1 4 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.074 1.126 17768
1565 1 4 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.893 0.007 17768
1566 1 4 . 1 1 20 20 ASN H H 17 8.150 8.150 8.242 -0.092 17768
1567 1 4 . 1 1 21 21 LEU N N 18 119.500 119.500 120.575 -1.075 17768
1568 1 4 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.223 -0.303 17768
1569 1 4 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.228 1.871 17768
1570 1 4 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.754 0.846 17768
1571 1 4 . 1 1 21 21 LEU H H 18 8.500 8.500 8.650 -0.150 17768
1572 1 4 . 1 1 22 22 GLU N N 19 112.100 112.100 114.787 -2.687 17768
1573 1 4 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.171 0.429 17768
1574 1 4 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.147 0.554 17768
1575 1 4 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.838 0.362 17768
1576 1 4 . 1 1 22 22 GLU H H 19 8.450 8.450 7.965 0.485 17768
1577 1 4 . 1 1 23 23 SER N N 20 110.300 110.300 114.478 -4.178 17768
1578 1 4 . 1 1 23 23 SER HA H 20 4.490 4.490 4.464 0.026 17768
1579 1 4 . 1 1 23 23 SER CA C 20 58.600 58.600 59.868 -1.268 17768
1580 1 4 . 1 1 23 23 SER H H 20 7.570 7.570 8.227 -0.657 17768
1581 1 4 . 1 1 24 24 TYR N N 21 125.300 125.300 124.257 1.043 17768
1582 1 4 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.853 0.727 17768
1583 1 4 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.911 0.789 17768
1584 1 4 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.994 -0.594 17768
1585 1 4 . 1 1 24 24 TYR H H 21 7.560 7.560 7.961 -0.401 17768
1586 1 4 . 1 1 25 25 GLN N N 22 130.000 130.000 127.520 2.480 17768
1587 1 4 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.814 0.036 17768
1588 1 4 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.802 0.998 17768
1589 1 4 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.469 0.831 17768
1590 1 4 . 1 1 25 25 GLN H H 22 8.710 8.710 8.248 0.462 17768
1591 1 4 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.206 -0.196 17768
1592 1 4 . 1 1 27 27 LEU N N 24 112.400 112.400 117.058 -4.658 17768
1593 1 4 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.051 0.159 17768
1594 1 4 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.293 1.007 17768
1595 1 4 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.721 1.379 17768
1596 1 4 . 1 1 27 27 LEU H H 24 6.720 6.720 7.713 -0.993 17768
1597 1 4 . 1 1 28 28 MET N N 25 116.900 116.900 115.856 1.044 17768
1598 1 4 . 1 1 28 28 MET HA H 25 4.510 4.510 4.144 0.366 17768
1599 1 4 . 1 1 28 28 MET CA C 25 55.900 55.900 58.413 -2.513 17768
1600 1 4 . 1 1 28 28 MET CB C 25 29.100 29.100 32.862 -3.762 17768
1601 1 4 . 1 1 28 28 MET H H 25 7.620 7.620 7.330 0.290 17768
1602 1 4 . 1 1 29 29 GLU N N 26 116.100 116.100 115.966 0.134 17768
1603 1 4 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.240 -0.100 17768
1604 1 4 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.129 1.271 17768
1605 1 4 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.724 0.576 17768
1606 1 4 . 1 1 29 29 GLU H H 26 8.060 8.060 8.048 0.012 17768
1607 1 4 . 1 1 30 30 MET N N 27 115.100 115.100 118.667 -3.567 17768
1608 1 4 . 1 1 30 30 MET HA H 27 4.450 4.450 4.565 -0.115 17768
1609 1 4 . 1 1 30 30 MET CA C 27 57.000 57.000 55.749 1.250 17768
1610 1 4 . 1 1 30 30 MET CB C 27 36.500 36.500 34.844 1.656 17768
1611 1 4 . 1 1 30 30 MET H H 27 7.920 7.920 7.501 0.419 17768
1612 1 4 . 1 1 31 31 VAL N N 28 107.100 107.100 118.194 -11.094 17768
1613 1 4 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.738 -0.028 17768
1614 1 4 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.069 -1.469 17768
1615 1 4 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.147 2.353 17768
1616 1 4 . 1 1 31 31 VAL H H 28 7.180 7.180 8.030 -0.850 17768
1617 1 4 . 1 1 32 32 ASN N N 29 115.300 115.300 123.732 -8.432 17768
1618 1 4 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.776 -0.076 17768
1619 1 4 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.773 2.027 17768
1620 1 4 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.808 0.592 17768
1621 1 4 . 1 1 32 32 ASN H H 29 8.670 8.670 8.799 -0.129 17768
1622 1 4 . 1 1 33 33 GLN N N 30 108.900 108.900 118.227 -9.327 17768
1623 1 4 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.669 -0.049 17768
1624 1 4 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.306 1.294 17768
1625 1 4 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.838 1.562 17768
1626 1 4 . 1 1 33 33 GLN H H 30 7.190 7.190 8.324 -1.134 17768
1627 1 4 . 1 1 34 34 VAL N N 31 122.000 122.000 121.400 0.600 17768
1628 1 4 . 1 1 34 34 VAL HA H 31 4.910 4.910 5.083 -0.173 17768
1629 1 4 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.535 1.065 17768
1630 1 4 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.693 2.107 17768
1631 1 4 . 1 1 34 34 VAL H H 31 8.860 8.860 7.821 1.039 17768
1632 1 4 . 1 1 35 35 THR N N 32 119.200 119.200 122.117 -2.917 17768
1633 1 4 . 1 1 35 35 THR HA H 32 4.900 4.900 4.808 0.092 17768
1634 1 4 . 1 1 35 35 THR CA C 32 59.100 59.100 59.927 -0.827 17768
1635 1 4 . 1 1 35 35 THR CB C 32 70.100 70.100 70.553 -0.453 17768
1636 1 4 . 1 1 35 35 THR H H 32 8.910 8.910 8.792 0.118 17768
1637 1 4 . 1 1 36 36 GLU H H 33 8.200 8.200 8.982 -0.782 17768
1638 1 4 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.624 -0.504 17768
1639 1 4 . 1 1 39 39 GLY N N 36 111.100 111.100 112.036 -0.936 17768
1640 1 4 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.768 -1.068 17768
1641 1 4 . 1 1 39 39 GLY H H 36 8.570 8.570 8.725 -0.155 17768
1642 1 4 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.353 -0.533 17768
1643 1 4 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.022 1.778 17768
1644 1 4 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.677 0.923 17768
1645 1 4 . 1 1 40 40 LYS H H 37 7.070 7.070 8.125 -1.055 17768
1646 1 4 . 1 1 41 41 ASP N N 38 116.100 116.100 120.214 -4.114 17768
1647 1 4 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.637 -0.067 17768
1648 1 4 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.919 0.581 17768
1649 1 4 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.600 0.200 17768
1650 1 4 . 1 1 41 41 ASP H H 38 8.250 8.250 7.968 0.282 17768
1651 1 4 . 1 1 42 42 ASP N N 39 123.300 123.300 120.548 2.752 17768
1652 1 4 . 1 1 42 42 ASP HA H 39 4.450 4.450 3.933 0.517 17768
1653 1 4 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.319 1.181 17768
1654 1 4 . 1 1 42 42 ASP CB C 39 39.300 39.300 39.300 -0.000 17768
1655 1 4 . 1 1 42 42 ASP H H 39 7.070 7.070 7.432 -0.362 17768
1656 1 4 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.539 -0.239 17768
1657 1 4 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.659 -0.159 17768
1658 1 4 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.307 -0.207 17768
1659 1 4 . 1 1 44 44 TYR N N 41 122.700 122.700 124.592 -1.892 17768
1660 1 4 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.709 -0.109 17768
1661 1 4 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.718 -0.618 17768
1662 1 4 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.593 -0.093 17768
1663 1 4 . 1 1 44 44 TYR H H 41 8.200 8.200 8.551 -0.351 17768
1664 1 4 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.081 0.519 17768
1665 1 4 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.952 -0.452 17768
1666 1 4 . 1 1 45 45 PRO CB C 42 36.100 36.100 32.815 3.285 17768
1667 1 4 . 1 1 46 46 TYR N N 43 113.000 113.000 118.330 -5.330 17768
1668 1 4 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.806 0.354 17768
1669 1 4 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.100 0.600 17768
1670 1 4 . 1 1 46 46 TYR CB C 43 40.900 40.900 41.038 -0.139 17768
1671 1 4 . 1 1 46 46 TYR H H 43 8.640 8.640 8.809 -0.169 17768
1672 1 4 . 1 1 47 47 VAL N N 44 118.300 118.300 119.941 -1.641 17768
1673 1 4 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.764 0.736 17768
1674 1 4 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.721 0.079 17768
1675 1 4 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.097 0.203 17768
1676 1 4 . 1 1 47 47 VAL H H 44 8.210 8.210 8.148 0.062 17768
1677 1 4 . 1 1 48 48 VAL N N 45 127.100 127.100 120.933 6.167 17768
1678 1 4 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.469 0.041 17768
1679 1 4 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.580 1.120 17768
1680 1 4 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.515 -0.215 17768
1681 1 4 . 1 1 48 48 VAL H H 45 9.960 9.960 8.760 1.200 17768
1682 1 4 . 1 1 49 49 ILE N N 46 126.500 126.500 122.742 3.758 17768
1683 1 4 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.997 -1.007 17768
1684 1 4 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.063 1.837 17768
1685 1 4 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.172 1.028 17768
1686 1 4 . 1 1 49 49 ILE H H 46 8.160 8.160 8.041 0.119 17768
1687 1 4 . 1 1 50 50 GLY N N 47 116.200 116.200 112.897 3.303 17768
1688 1 4 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.559 -0.659 17768
1689 1 4 . 1 1 50 50 GLY H H 47 8.100 8.100 8.774 -0.674 17768
1690 1 4 . 1 1 51 51 ASP N N 48 118.000 118.000 118.464 -0.464 17768
1691 1 4 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.143 -0.653 17768
1692 1 4 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.966 1.934 17768
1693 1 4 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.946 -1.446 17768
1694 1 4 . 1 1 51 51 ASP H H 48 8.150 8.150 8.285 -0.135 17768
1695 1 4 . 1 1 52 52 GLN N N 49 118.000 118.000 121.506 -3.506 17768
1696 1 4 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.679 0.231 17768
1697 1 4 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.580 -0.579 17768
1698 1 4 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.127 0.973 17768
1699 1 4 . 1 1 52 52 GLN H H 49 8.400 8.400 8.552 -0.152 17768
1700 1 4 . 1 1 53 53 SER N N 50 115.900 115.900 118.067 -2.167 17768
1701 1 4 . 1 1 53 53 SER CA C 50 58.200 58.200 57.992 0.208 17768
1702 1 4 . 1 1 53 53 SER CB C 50 64.700 64.700 64.099 0.601 17768
1703 1 4 . 1 1 53 53 SER H H 50 8.770 8.770 8.624 0.146 17768
1704 1 4 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.296 0.004 17768
1705 1 4 . 1 1 57 57 PHE N N 54 126.200 126.200 121.619 4.581 17768
1706 1 4 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.877 -0.017 17768
1707 1 4 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.051 -3.951 17768
1708 1 4 . 1 1 57 57 PHE CB C 54 40.400 40.400 39.948 0.452 17768
1709 1 4 . 1 1 57 57 PHE H H 54 8.620 8.620 7.673 0.947 17768
1710 1 4 . 1 1 59 59 THR HA H 56 4.910 4.910 4.473 0.437 17768
1711 1 4 . 1 1 60 60 LYS N N 57 123.900 123.900 124.519 -0.619 17768
1712 1 4 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.599 0.071 17768
1713 1 4 . 1 1 60 60 LYS CA C 57 56.900 56.900 54.952 1.948 17768
1714 1 4 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.457 -0.057 17768
1715 1 4 . 1 1 60 60 LYS H H 57 8.760 8.760 8.559 0.201 17768
1716 1 4 . 1 1 61 61 SER N N 58 113.900 113.900 118.631 -4.731 17768
1717 1 4 . 1 1 61 61 SER HA H 58 4.690 4.690 4.294 0.396 17768
1718 1 4 . 1 1 61 61 SER CA C 58 55.000 55.000 59.230 -4.230 17768
1719 1 4 . 1 1 61 61 SER CB C 58 63.000 63.000 62.402 0.598 17768
1720 1 4 . 1 1 61 61 SER H H 58 8.400 8.400 8.427 -0.027 17768
1721 1 4 . 1 1 66 66 ASN N N 63 117.100 117.100 116.823 0.277 17768
1722 1 4 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.311 0.349 17768
1723 1 4 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.491 0.609 17768
1724 1 4 . 1 1 66 66 ASN CB C 63 41.400 41.400 42.771 -1.371 17768
1725 1 4 . 1 1 66 66 ASN H H 63 8.260 8.260 7.915 0.345 17768
1726 1 4 . 1 1 67 67 ILE N N 64 120.300 120.300 119.456 0.844 17768
1727 1 4 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.459 0.161 17768
1728 1 4 . 1 1 67 67 ILE CA C 64 61.300 61.300 61.367 -0.067 17768
1729 1 4 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.313 1.887 17768
1730 1 4 . 1 1 67 67 ILE H H 64 8.910 8.910 8.423 0.487 17768
1731 1 4 . 1 1 68 68 THR N N 65 124.100 124.100 124.159 -0.059 17768
1732 1 4 . 1 1 68 68 THR HA H 65 5.490 5.490 5.039 0.451 17768
1733 1 4 . 1 1 68 68 THR CA C 65 61.900 61.900 61.329 0.571 17768
1734 1 4 . 1 1 68 68 THR CB C 65 70.200 70.200 70.092 0.108 17768
1735 1 4 . 1 1 68 68 THR H H 65 8.940 8.940 8.276 0.664 17768
1736 1 4 . 1 1 69 69 MET N N 66 126.700 126.700 126.951 -0.251 17768
1737 1 4 . 1 1 69 69 MET HA H 66 5.050 5.050 4.813 0.237 17768
1738 1 4 . 1 1 69 69 MET CA C 66 55.100 55.100 54.468 0.632 17768
1739 1 4 . 1 1 69 69 MET CB C 66 38.100 38.100 37.373 0.727 17768
1740 1 4 . 1 1 69 69 MET H H 66 9.200 9.200 9.012 0.188 17768
1741 1 4 . 1 1 70 70 ASP N N 67 123.500 123.500 121.289 2.211 17768
1742 1 4 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.140 0.270 17768
1743 1 4 . 1 1 70 70 ASP CA C 67 53.000 53.000 53.019 -0.019 17768
1744 1 4 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.373 -1.873 17768
1745 1 4 . 1 1 70 70 ASP H H 67 7.720 7.720 8.112 -0.392 17768
1746 1 4 . 1 1 71 71 PHE N N 68 116.900 116.900 118.301 -1.401 17768
1747 1 4 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.097 -0.267 17768
1748 1 4 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.977 1.023 17768
1749 1 4 . 1 1 71 71 PHE CB C 68 43.000 43.000 42.124 0.876 17768
1750 1 4 . 1 1 71 71 PHE H H 68 9.130 9.130 8.697 0.433 17768
1751 1 4 . 1 1 72 72 HIS N N 69 120.400 120.400 121.134 -0.734 17768
1752 1 4 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.023 0.407 17768
1753 1 4 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.340 0.860 17768
1754 1 4 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.082 4.018 17768
1755 1 4 . 1 1 72 72 HIS H H 69 9.350 9.350 9.320 0.030 17768
1756 1 4 . 1 1 73 73 VAL N N 70 124.900 124.900 117.750 7.150 17768
1757 1 4 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.734 -0.294 17768
1758 1 4 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.805 2.195 17768
1759 1 4 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.844 1.456 17768
1760 1 4 . 1 1 73 73 VAL H H 70 9.610 9.610 8.330 1.280 17768
1761 1 4 . 1 1 74 74 TRP N N 71 129.500 129.500 126.265 3.235 17768
1762 1 4 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.125 -0.185 17768
1763 1 4 . 1 1 74 74 TRP CA C 71 55.800 55.800 56.100 -0.300 17768
1764 1 4 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.741 -1.741 17768
1765 1 4 . 1 1 74 74 TRP H H 71 8.790 8.790 8.809 -0.019 17768
1766 1 4 . 1 1 75 75 GLY CA C 72 44.400 44.400 45.515 -1.115 17768
1767 1 4 . 1 1 76 76 GLY N N 73 105.500 105.500 107.025 -1.525 17768
1768 1 4 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.516 -0.716 17768
1769 1 4 . 1 1 76 76 GLY H H 73 8.710 8.710 7.979 0.731 17768
1770 1 4 . 1 1 77 77 THR N N 74 114.200 114.200 113.421 0.779 17768
1771 1 4 . 1 1 77 77 THR HA H 74 4.460 4.460 4.485 -0.025 17768
1772 1 4 . 1 1 77 77 THR CA C 74 62.700 62.700 61.860 0.840 17768
1773 1 4 . 1 1 77 77 THR CB C 74 70.000 70.000 69.759 0.241 17768
1774 1 4 . 1 1 77 77 THR H H 74 9.010 9.010 7.903 1.107 17768
1775 1 4 . 1 1 78 78 THR N N 75 110.800 110.800 116.086 -5.286 17768
1776 1 4 . 1 1 78 78 THR CA C 75 59.100 59.100 60.218 -1.118 17768
1777 1 4 . 1 1 78 78 THR H H 75 7.960 7.960 7.921 0.039 17768
1778 1 4 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.068 1.232 17768
1779 1 4 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.362 0.238 17768
1780 1 4 . 1 1 80 80 ALA N N 77 120.500 120.500 121.173 -0.673 17768
1781 1 4 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.380 -0.360 17768
1782 1 4 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.645 0.756 17768
1783 1 4 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.125 0.575 17768
1784 1 4 . 1 1 80 80 ALA H H 77 8.290 8.290 8.522 -0.232 17768
1785 1 4 . 1 1 81 81 GLU N N 78 118.800 118.800 119.280 -0.480 17768
1786 1 4 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.128 -0.088 17768
1787 1 4 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.484 1.216 17768
1788 1 4 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.224 1.276 17768
1789 1 4 . 1 1 81 81 GLU H H 78 7.930 7.930 7.921 0.009 17768
1790 1 4 . 1 1 82 82 ALA N N 79 119.700 119.700 121.912 -2.212 17768
1791 1 4 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.153 -0.273 17768
1792 1 4 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.128 0.372 17768
1793 1 4 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.339 0.061 17768
1794 1 4 . 1 1 82 82 ALA H H 79 7.470 7.470 7.461 0.009 17768
1795 1 4 . 1 1 83 83 GLN N N 80 120.700 120.700 118.385 2.315 17768
1796 1 4 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.176 -0.346 17768
1797 1 4 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.568 0.632 17768
1798 1 4 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.836 -0.136 17768
1799 1 4 . 1 1 83 83 GLN H H 80 8.690 8.690 8.447 0.243 17768
1800 1 4 . 1 1 84 84 ASP N N 81 123.100 123.100 121.526 1.574 17768
1801 1 4 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.373 -0.003 17768
1802 1 4 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.540 0.960 17768
1803 1 4 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.885 -0.584 17768
1804 1 4 . 1 1 84 84 ASP H H 81 8.480 8.480 8.031 0.449 17768
1805 1 4 . 1 1 85 85 ILE N N 82 119.300 119.300 116.543 2.757 17768
1806 1 4 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.747 -0.207 17768
1807 1 4 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.993 1.707 17768
1808 1 4 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.401 1.099 17768
1809 1 4 . 1 1 85 85 ILE H H 82 8.340 8.340 8.045 0.295 17768
1810 1 4 . 1 1 86 86 SER N N 83 114.800 114.800 117.147 -2.347 17768
1811 1 4 . 1 1 86 86 SER HA H 83 4.560 4.560 4.055 0.505 17768
1812 1 4 . 1 1 86 86 SER CA C 83 63.500 63.500 61.840 1.660 17768
1813 1 4 . 1 1 86 86 SER H H 83 7.880 7.880 7.951 -0.071 17768
1814 1 4 . 1 1 87 87 SER N N 84 117.400 117.400 118.519 -1.119 17768
1815 1 4 . 1 1 87 87 SER HA H 84 4.400 4.400 4.202 0.198 17768
1816 1 4 . 1 1 87 87 SER CA C 84 58.100 58.100 61.756 -3.656 17768
1817 1 4 . 1 1 87 87 SER H H 84 8.320 8.320 8.327 -0.007 17768
1818 1 4 . 1 1 88 88 ARG N N 85 121.100 121.100 120.602 0.498 17768
1819 1 4 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.305 -0.215 17768
1820 1 4 . 1 1 88 88 ARG CA C 85 58.700 58.700 57.501 1.199 17768
1821 1 4 . 1 1 88 88 ARG H H 85 7.780 7.780 8.502 -0.722 17768
1822 1 4 . 1 1 89 89 VAL N N 86 121.200 121.200 121.075 0.125 17768
1823 1 4 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.688 -0.328 17768
1824 1 4 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.338 1.161 17768
1825 1 4 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.766 -0.766 17768
1826 1 4 . 1 1 89 89 VAL H H 86 8.190 8.190 8.457 -0.267 17768
1827 1 4 . 1 1 90 90 LEU N N 87 117.500 117.500 120.337 -2.837 17768
1828 1 4 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.953 -0.263 17768
1829 1 4 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.368 -0.068 17768
1830 1 4 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.440 -0.140 17768
1831 1 4 . 1 1 90 90 LEU H H 87 7.330 7.330 8.241 -0.911 17768
1832 1 4 . 1 1 91 91 GLU N N 88 118.500 118.500 119.595 -1.095 17768
1833 1 4 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.877 -0.257 17768
1834 1 4 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.008 0.092 17768
1835 1 4 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.466 1.134 17768
1836 1 4 . 1 1 91 91 GLU H H 88 7.810 7.810 8.059 -0.249 17768
1837 1 4 . 1 1 92 92 ALA N N 89 121.800 121.800 121.326 0.474 17768
1838 1 4 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.919 -0.859 17768
1839 1 4 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.801 -0.401 17768
1840 1 4 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.984 1.216 17768
1841 1 4 . 1 1 92 92 ALA H H 89 7.820 7.820 7.712 0.108 17768
1842 1 4 . 1 1 93 93 LEU N N 90 113.600 113.600 118.425 -4.825 17768
1843 1 4 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.371 -0.351 17768
1844 1 4 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.938 -0.738 17768
1845 1 4 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.323 1.377 17768
1846 1 4 . 1 1 93 93 LEU H H 90 7.570 7.570 7.962 -0.392 17768
1847 1 4 . 1 1 94 94 THR N N 91 102.400 102.400 110.014 -7.614 17768
1848 1 4 . 1 1 94 94 THR HA H 91 4.510 4.510 4.437 0.073 17768
1849 1 4 . 1 1 94 94 THR CA C 91 61.500 61.500 62.861 -1.361 17768
1850 1 4 . 1 1 94 94 THR CB C 91 71.300 71.300 68.754 2.546 17768
1851 1 4 . 1 1 94 94 THR H H 91 7.280 7.280 7.691 -0.411 17768
1852 1 4 . 1 1 95 95 TYR N N 92 123.600 123.600 124.482 -0.882 17768
1853 1 4 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.352 -0.022 17768
1854 1 4 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.401 0.298 17768
1855 1 4 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.261 -1.661 17768
1856 1 4 . 1 1 95 95 TYR H H 92 7.900 7.900 7.883 0.017 17768
1857 1 4 . 1 1 96 96 LYS N N 93 117.500 117.500 119.934 -2.434 17768
1858 1 4 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.519 0.031 17768
1859 1 4 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.741 0.959 17768
1860 1 4 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.291 0.209 17768
1861 1 4 . 1 1 96 96 LYS H H 93 7.000 7.000 7.477 -0.477 17768
1862 1 4 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.410 -0.040 17768
1863 1 4 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.064 1.536 17768
1864 1 4 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.631 0.069 17768
1865 1 4 . 1 1 98 98 LEU N N 95 125.400 125.400 122.723 2.677 17768
1866 1 4 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.428 0.192 17768
1867 1 4 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.836 -1.036 17768
1868 1 4 . 1 1 98 98 LEU CB C 95 43.600 43.600 39.594 4.006 17768
1869 1 4 . 1 1 98 98 LEU H H 95 8.380 8.380 8.726 -0.346 17768
1870 1 4 . 1 1 99 99 MET N N 96 123.100 123.100 122.797 0.303 17768
1871 1 4 . 1 1 99 99 MET HA H 96 5.480 5.480 5.142 0.338 17768
1872 1 4 . 1 1 99 99 MET CA C 96 55.200 55.200 54.739 0.461 17768
1873 1 4 . 1 1 99 99 MET CB C 96 37.200 37.200 36.964 0.236 17768
1874 1 4 . 1 1 99 99 MET H H 96 8.480 8.480 8.325 0.155 17768
1875 1 4 . 1 1 100 100 PHE N N 97 122.900 122.900 125.471 -2.571 17768
1876 1 4 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.915 -0.525 17768
1877 1 4 . 1 1 100 100 PHE CA C 97 60.300 60.300 58.220 2.080 17768
1878 1 4 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.441 1.659 17768
1879 1 4 . 1 1 100 100 PHE H H 97 8.640 8.640 9.070 -0.430 17768
1880 1 4 . 1 1 101 101 GLU N N 98 125.300 125.300 124.485 0.815 17768
1881 1 4 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.656 -0.226 17768
1882 1 4 . 1 1 101 101 GLU CA C 98 58.200 58.200 58.086 0.114 17768
1883 1 4 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.183 0.217 17768
1884 1 4 . 1 1 101 101 GLU H H 98 8.640 8.640 8.578 0.062 17768
1885 1 4 . 1 1 102 102 GLY N N 99 107.100 107.100 108.407 -1.307 17768
1886 1 4 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.492 1.208 17768
1887 1 4 . 1 1 102 102 GLY H H 99 8.250 8.250 7.815 0.435 17768
1888 1 4 . 1 1 103 103 PHE N N 100 120.200 120.200 119.695 0.505 17768
1889 1 4 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.588 0.142 17768
1890 1 4 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.026 1.874 17768
1891 1 4 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.170 1.830 17768
1892 1 4 . 1 1 103 103 PHE H H 100 8.310 8.310 7.314 0.996 17768
1893 1 4 . 1 1 104 104 THR N N 101 116.100 116.100 118.776 -2.676 17768
1894 1 4 . 1 1 104 104 THR HA H 101 4.970 4.970 4.813 0.157 17768
1895 1 4 . 1 1 104 104 THR CA C 101 61.900 61.900 61.536 0.364 17768
1896 1 4 . 1 1 104 104 THR CB C 101 71.400 71.400 70.950 0.450 17768
1897 1 4 . 1 1 104 104 THR H H 101 8.250 8.250 8.348 -0.098 17768
1898 1 4 . 1 1 105 105 PHE N N 102 123.200 123.200 125.364 -2.164 17768
1899 1 4 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.098 0.512 17768
1900 1 4 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.568 0.032 17768
1901 1 4 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.174 1.426 17768
1902 1 4 . 1 1 105 105 PHE H H 102 8.840 8.840 8.259 0.581 17768
1903 1 4 . 1 1 106 106 VAL N N 103 120.000 120.000 122.777 -2.777 17768
1904 1 4 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.451 0.049 17768
1905 1 4 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.063 0.137 17768
1906 1 4 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.623 0.577 17768
1907 1 4 . 1 1 106 106 VAL H H 103 8.460 8.460 9.297 -0.837 17768
1908 1 4 . 1 1 107 107 ALA N N 104 130.400 130.400 130.252 0.148 17768
1909 1 4 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.673 -0.833 17768
1910 1 4 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.546 0.854 17768
1911 1 4 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.912 -2.112 17768
1912 1 4 . 1 1 107 107 ALA H H 104 9.210 9.210 8.707 0.503 17768
1913 1 4 . 1 1 108 108 LYS N N 105 127.100 127.100 125.186 1.914 17768
1914 1 4 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.530 -0.300 17768
1915 1 4 . 1 1 108 108 LYS CA C 105 56.200 56.200 54.597 1.603 17768
1916 1 4 . 1 1 108 108 LYS H H 105 8.670 8.670 8.493 0.177 17768
1917 1 4 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.339 0.161 17768
1918 1 4 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.786 0.414 17768
1919 1 4 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.928 0.572 17768
1920 1 4 . 1 1 116 116 ILE N N 113 125.200 125.200 128.560 -3.360 17768
1921 1 4 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.429 0.091 17768
1922 1 4 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.432 -0.532 17768
1923 1 4 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.931 0.769 17768
1924 1 4 . 1 1 116 116 ILE H H 113 8.760 8.760 8.103 0.657 17768
1925 1 4 . 1 1 117 117 THR N N 114 119.000 119.000 120.735 -1.735 17768
1926 1 4 . 1 1 117 117 THR HA H 114 4.560 4.560 4.609 -0.049 17768
1927 1 4 . 1 1 117 117 THR CA C 114 62.300 62.300 61.102 1.198 17768
1928 1 4 . 1 1 117 117 THR CB C 114 69.400 69.400 69.263 0.137 17768
1929 1 4 . 1 1 117 117 THR H H 114 8.380 8.380 8.267 0.113 17768
1930 1 4 . 1 1 118 118 ASP N N 115 126.200 126.200 127.007 -0.807 17768
1931 1 4 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.928 -0.278 17768
1932 1 4 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.951 0.549 17768
1933 1 4 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.307 0.993 17768
1934 1 4 . 1 1 118 118 ASP H H 115 8.920 8.920 8.670 0.250 17768
1935 1 4 . 1 1 119 119 THR HA H 116 3.990 3.990 4.222 -0.232 17768
1936 1 4 . 1 1 119 119 THR CA C 116 64.800 64.800 63.861 0.939 17768
1937 1 4 . 1 1 119 119 THR CB C 116 69.200 69.200 69.336 -0.136 17768
1938 1 4 . 1 1 120 120 ASP N N 117 120.500 120.500 120.037 0.463 17768
1939 1 4 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.507 1.293 17768
1940 1 4 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.036 -1.336 17768
1941 1 4 . 1 1 120 120 ASP H H 117 8.360 8.360 8.211 0.149 17768
1942 1 4 . 1 1 121 121 GLY N N 118 108.600 108.600 107.604 0.996 17768
1943 1 4 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.227 0.573 17768
1944 1 4 . 1 1 121 121 GLY H H 118 8.310 8.310 8.242 0.068 17768
1945 1 4 . 1 1 122 122 VAL N N 119 118.600 118.600 118.640 -0.040 17768
1946 1 4 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.234 -0.035 17768
1947 1 4 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.764 2.437 17768
1948 1 4 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.075 2.925 17768
1949 1 4 . 1 1 122 122 VAL H H 119 8.500 8.500 7.427 1.073 17768
1950 1 4 . 1 1 123 123 THR N N 120 123.300 123.300 117.607 5.693 17768
1951 1 4 . 1 1 123 123 THR HA H 120 4.030 4.030 4.293 -0.263 17768
1952 1 4 . 1 1 123 123 THR CA C 120 64.800 64.800 63.316 1.484 17768
1953 1 4 . 1 1 123 123 THR CB C 120 68.400 68.400 69.834 -1.434 17768
1954 1 4 . 1 1 123 123 THR H H 120 9.700 9.700 8.422 1.278 17768
1955 1 4 . 1 1 124 124 LYS N N 121 125.500 125.500 128.105 -2.605 17768
1956 1 4 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.718 -0.168 17768
1957 1 4 . 1 1 124 124 LYS CA C 121 54.300 54.300 54.982 -0.682 17768
1958 1 4 . 1 1 124 124 LYS H H 121 8.650 8.650 8.385 0.265 17768
1959 1 4 . 1 1 125 125 HIS N N 122 121.400 121.400 120.342 1.058 17768
1960 1 4 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.952 0.128 17768
1961 1 4 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.511 -2.911 17768
1962 1 4 . 1 1 125 125 HIS CB C 122 31.600 31.600 30.174 1.427 17768
1963 1 4 . 1 1 125 125 HIS H H 122 8.580 8.580 8.379 0.201 17768
1964 1 4 . 1 1 126 126 GLY N N 123 114.000 114.000 111.489 2.511 17768
1965 1 4 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.189 0.011 17768
1966 1 4 . 1 1 126 126 GLY H H 123 10.010 10.010 8.412 1.598 17768
1967 1 4 . 1 1 127 127 ILE N N 124 124.000 124.000 125.962 -1.962 17768
1968 1 4 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.730 -0.250 17768
1969 1 4 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.760 1.940 17768
1970 1 4 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.163 0.938 17768
1971 1 4 . 1 1 127 127 ILE H H 124 8.740 8.740 8.476 0.264 17768
1972 1 4 . 1 1 128 128 ILE N N 125 126.200 126.200 127.835 -1.635 17768
1973 1 4 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.350 0.430 17768
1974 1 4 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.025 0.075 17768
1975 1 4 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.895 0.905 17768
1976 1 4 . 1 1 128 128 ILE H H 125 8.640 8.640 8.853 -0.213 17768
1977 1 4 . 1 1 129 129 LYS N N 126 126.300 126.300 128.230 -1.930 17768
1978 1 4 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.739 0.671 17768
1979 1 4 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.435 1.165 17768
1980 1 4 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.748 1.352 17768
1981 1 4 . 1 1 129 129 LYS H H 126 8.990 8.990 8.488 0.502 17768
1982 1 4 . 1 1 130 130 VAL N N 127 126.300 126.300 124.861 1.439 17768
1983 1 4 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.329 0.231 17768
1984 1 4 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.368 1.732 17768
1985 1 4 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.638 0.362 17768
1986 1 4 . 1 1 130 130 VAL H H 127 8.880 8.880 8.907 -0.027 17768
1987 1 4 . 1 1 131 131 ARG N N 128 126.600 126.600 126.472 0.128 17768
1988 1 4 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.881 0.079 17768
1989 1 4 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.825 0.775 17768
1990 1 4 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.651 -0.051 17768
1991 1 4 . 1 1 131 131 ARG H H 128 8.720 8.720 8.293 0.427 17768
1992 1 4 . 1 1 132 132 PHE N N 129 125.700 125.700 122.085 3.615 17768
1993 1 4 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.576 0.034 17768
1994 1 4 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.146 0.454 17768
1995 1 4 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.906 -0.506 17768
1996 1 4 . 1 1 132 132 PHE H H 129 9.720 9.720 9.235 0.485 17768
1997 1 4 . 1 1 133 133 THR N N 130 114.700 114.700 116.831 -2.131 17768
1998 1 4 . 1 1 133 133 THR HA H 130 5.070 5.070 5.020 0.050 17768
1999 1 4 . 1 1 133 133 THR CA C 130 61.800 61.800 62.184 -0.383 17768
2000 1 4 . 1 1 133 133 THR CB C 130 71.100 71.100 72.689 -1.589 17768
2001 1 4 . 1 1 133 133 THR H H 130 9.100 9.100 9.321 -0.221 17768
2002 1 4 . 1 1 134 134 ILE N N 131 123.000 123.000 126.401 -3.401 17768
2003 1 4 . 1 1 134 134 ILE CA C 131 61.400 61.400 58.696 2.704 17768
2004 1 4 . 1 1 134 134 ILE H H 131 8.400 8.400 8.569 -0.169 17768
2005 1 5 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.426 -0.186 17768
2006 1 5 . 1 1 6 6 TRP CB C 3 29.900 29.900 27.290 2.610 17768
2007 1 5 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.225 0.575 17768
2008 1 5 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.528 -1.828 17768
2009 1 5 . 1 1 9 9 ALA N N 6 122.500 122.500 121.547 0.953 17768
2010 1 5 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.953 -0.973 17768
2011 1 5 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.439 0.261 17768
2012 1 5 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.814 0.986 17768
2013 1 5 . 1 1 9 9 ALA H H 6 8.150 8.150 8.180 -0.030 17768
2014 1 5 . 1 1 10 10 SER N N 7 112.300 112.300 114.736 -2.436 17768
2015 1 5 . 1 1 10 10 SER HA H 7 3.660 3.660 4.116 -0.456 17768
2016 1 5 . 1 1 10 10 SER CA C 7 62.300 62.300 61.486 0.814 17768
2017 1 5 . 1 1 10 10 SER H H 7 7.910 7.910 7.783 0.127 17768
2018 1 5 . 1 1 11 11 ARG N N 8 122.300 122.300 121.035 1.265 17768
2019 1 5 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.056 -0.106 17768
2020 1 5 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.669 0.931 17768
2021 1 5 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.815 -0.015 17768
2022 1 5 . 1 1 11 11 ARG H H 8 7.390 7.390 7.377 0.013 17768
2023 1 5 . 1 1 12 12 ALA N N 9 121.500 121.500 122.151 -0.651 17768
2024 1 5 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.727 0.143 17768
2025 1 5 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.236 0.764 17768
2026 1 5 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.865 2.335 17768
2027 1 5 . 1 1 12 12 ALA H H 9 7.720 7.720 7.986 -0.266 17768
2028 1 5 . 1 1 13 13 LEU N N 10 119.000 119.000 118.729 0.271 17768
2029 1 5 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.856 -0.946 17768
2030 1 5 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.504 0.096 17768
2031 1 5 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.390 -0.390 17768
2032 1 5 . 1 1 13 13 LEU H H 10 7.940 7.940 7.160 0.780 17768
2033 1 5 . 1 1 14 14 GLN N N 11 119.300 119.300 118.058 1.242 17768
2034 1 5 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.830 -0.480 17768
2035 1 5 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.808 1.892 17768
2036 1 5 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.094 -0.094 17768
2037 1 5 . 1 1 14 14 GLN H H 11 7.390 7.390 7.888 -0.498 17768
2038 1 5 . 1 1 15 15 LYS N N 12 116.200 116.200 120.199 -3.999 17768
2039 1 5 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.035 -0.415 17768
2040 1 5 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.096 -0.796 17768
2041 1 5 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.070 -0.270 17768
2042 1 5 . 1 1 15 15 LYS H H 12 7.470 7.470 7.524 -0.054 17768
2043 1 5 . 1 1 16 16 ALA N N 13 121.700 121.700 121.786 -0.086 17768
2044 1 5 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.235 -0.065 17768
2045 1 5 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.137 0.263 17768
2046 1 5 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.216 1.383 17768
2047 1 5 . 1 1 16 16 ALA H H 13 8.560 8.560 7.737 0.823 17768
2048 1 5 . 1 1 17 17 THR N N 14 108.700 108.700 114.362 -5.662 17768
2049 1 5 . 1 1 17 17 THR HA H 14 3.650 3.650 4.152 -0.502 17768
2050 1 5 . 1 1 17 17 THR CA C 14 66.500 66.500 65.909 0.591 17768
2051 1 5 . 1 1 17 17 THR CB C 14 69.300 69.300 68.755 0.545 17768
2052 1 5 . 1 1 17 17 THR H H 14 8.210 8.210 8.136 0.074 17768
2053 1 5 . 1 1 18 18 VAL N N 15 122.600 122.600 121.407 1.193 17768
2054 1 5 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.842 -0.442 17768
2055 1 5 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.742 1.658 17768
2056 1 5 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.208 0.292 17768
2057 1 5 . 1 1 18 18 VAL H H 15 7.570 7.570 8.098 -0.528 17768
2058 1 5 . 1 1 19 19 GLU N N 16 117.400 117.400 120.418 -3.018 17768
2059 1 5 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.077 0.093 17768
2060 1 5 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.645 0.055 17768
2061 1 5 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.493 -0.293 17768
2062 1 5 . 1 1 19 19 GLU H H 16 7.560 7.560 8.346 -0.786 17768
2063 1 5 . 1 1 20 20 ASN N N 17 120.900 120.900 119.260 1.640 17768
2064 1 5 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.647 -0.417 17768
2065 1 5 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.565 0.635 17768
2066 1 5 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.754 -0.854 17768
2067 1 5 . 1 1 20 20 ASN H H 17 8.150 8.150 8.146 0.004 17768
2068 1 5 . 1 1 21 21 LEU N N 18 119.500 119.500 118.794 0.706 17768
2069 1 5 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.294 -0.374 17768
2070 1 5 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.786 2.314 17768
2071 1 5 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.740 0.860 17768
2072 1 5 . 1 1 21 21 LEU H H 18 8.500 8.500 8.314 0.186 17768
2073 1 5 . 1 1 22 22 GLU N N 19 112.100 112.100 116.224 -4.124 17768
2074 1 5 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.248 0.352 17768
2075 1 5 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.798 0.902 17768
2076 1 5 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.844 0.356 17768
2077 1 5 . 1 1 22 22 GLU H H 19 8.450 8.450 8.077 0.373 17768
2078 1 5 . 1 1 23 23 SER N N 20 110.300 110.300 115.446 -5.146 17768
2079 1 5 . 1 1 23 23 SER HA H 20 4.490 4.490 4.462 0.028 17768
2080 1 5 . 1 1 23 23 SER CA C 20 58.600 58.600 60.621 -2.021 17768
2081 1 5 . 1 1 23 23 SER H H 20 7.570 7.570 7.736 -0.166 17768
2082 1 5 . 1 1 24 24 TYR N N 21 125.300 125.300 124.685 0.615 17768
2083 1 5 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.035 0.545 17768
2084 1 5 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.919 1.781 17768
2085 1 5 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.627 -0.227 17768
2086 1 5 . 1 1 24 24 TYR H H 21 7.560 7.560 7.983 -0.423 17768
2087 1 5 . 1 1 25 25 GLN N N 22 130.000 130.000 127.464 2.536 17768
2088 1 5 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.873 -0.023 17768
2089 1 5 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.622 1.178 17768
2090 1 5 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.012 0.288 17768
2091 1 5 . 1 1 25 25 GLN H H 22 8.710 8.710 7.896 0.814 17768
2092 1 5 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.121 -0.111 17768
2093 1 5 . 1 1 27 27 LEU N N 24 112.400 112.400 118.294 -5.894 17768
2094 1 5 . 1 1 27 27 LEU HA H 24 4.210 4.210 3.918 0.292 17768
2095 1 5 . 1 1 27 27 LEU CA C 24 57.300 57.300 58.146 -0.846 17768
2096 1 5 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.648 1.452 17768
2097 1 5 . 1 1 27 27 LEU H H 24 6.720 6.720 7.931 -1.211 17768
2098 1 5 . 1 1 28 28 MET N N 25 116.900 116.900 114.337 2.563 17768
2099 1 5 . 1 1 28 28 MET HA H 25 4.510 4.510 4.407 0.103 17768
2100 1 5 . 1 1 28 28 MET CA C 25 55.900 55.900 58.144 -2.244 17768
2101 1 5 . 1 1 28 28 MET CB C 25 29.100 29.100 32.032 -2.932 17768
2102 1 5 . 1 1 28 28 MET H H 25 7.620 7.620 7.787 -0.167 17768
2103 1 5 . 1 1 29 29 GLU N N 26 116.100 116.100 118.477 -2.377 17768
2104 1 5 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.239 -0.099 17768
2105 1 5 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.856 0.544 17768
2106 1 5 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.402 0.898 17768
2107 1 5 . 1 1 29 29 GLU H H 26 8.060 8.060 7.746 0.314 17768
2108 1 5 . 1 1 30 30 MET N N 27 115.100 115.100 117.366 -2.266 17768
2109 1 5 . 1 1 30 30 MET HA H 27 4.450 4.450 4.492 -0.042 17768
2110 1 5 . 1 1 30 30 MET CA C 27 57.000 57.000 56.273 0.727 17768
2111 1 5 . 1 1 30 30 MET CB C 27 36.500 36.500 34.844 1.656 17768
2112 1 5 . 1 1 30 30 MET H H 27 7.920 7.920 7.707 0.213 17768
2113 1 5 . 1 1 31 31 VAL N N 28 107.100 107.100 116.501 -9.401 17768
2114 1 5 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.578 0.132 17768
2115 1 5 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.518 -0.918 17768
2116 1 5 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.959 1.541 17768
2117 1 5 . 1 1 31 31 VAL H H 28 7.180 7.180 8.033 -0.853 17768
2118 1 5 . 1 1 32 32 ASN N N 29 115.300 115.300 123.414 -8.114 17768
2119 1 5 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.802 -0.102 17768
2120 1 5 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.611 2.189 17768
2121 1 5 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.717 0.684 17768
2122 1 5 . 1 1 32 32 ASN H H 29 8.670 8.670 8.543 0.127 17768
2123 1 5 . 1 1 33 33 GLN N N 30 108.900 108.900 118.088 -9.188 17768
2124 1 5 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.571 0.049 17768
2125 1 5 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.602 0.998 17768
2126 1 5 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.568 0.832 17768
2127 1 5 . 1 1 33 33 GLN H H 30 7.190 7.190 8.206 -1.016 17768
2128 1 5 . 1 1 34 34 VAL N N 31 122.000 122.000 121.332 0.668 17768
2129 1 5 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.774 0.136 17768
2130 1 5 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.727 0.873 17768
2131 1 5 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.149 1.651 17768
2132 1 5 . 1 1 34 34 VAL H H 31 8.860 8.860 8.104 0.756 17768
2133 1 5 . 1 1 35 35 THR N N 32 119.200 119.200 122.842 -3.642 17768
2134 1 5 . 1 1 35 35 THR HA H 32 4.900 4.900 4.722 0.178 17768
2135 1 5 . 1 1 35 35 THR CA C 32 59.100 59.100 60.253 -1.153 17768
2136 1 5 . 1 1 35 35 THR CB C 32 70.100 70.100 70.710 -0.610 17768
2137 1 5 . 1 1 35 35 THR H H 32 8.910 8.910 8.791 0.119 17768
2138 1 5 . 1 1 36 36 GLU H H 33 8.200 8.200 8.904 -0.704 17768
2139 1 5 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.434 -0.314 17768
2140 1 5 . 1 1 39 39 GLY N N 36 111.100 111.100 111.025 0.075 17768
2141 1 5 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.940 -1.240 17768
2142 1 5 . 1 1 39 39 GLY H H 36 8.570 8.570 8.381 0.189 17768
2143 1 5 . 1 1 40 40 LYS HA H 37 3.820 3.820 3.077 0.743 17768
2144 1 5 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.079 1.721 17768
2145 1 5 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.090 1.510 17768
2146 1 5 . 1 1 40 40 LYS H H 37 7.070 7.070 8.000 -0.930 17768
2147 1 5 . 1 1 41 41 ASP N N 38 116.100 116.100 116.201 -0.101 17768
2148 1 5 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.566 0.004 17768
2149 1 5 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.608 -0.108 17768
2150 1 5 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.750 1.050 17768
2151 1 5 . 1 1 41 41 ASP H H 38 8.250 8.250 8.368 -0.118 17768
2152 1 5 . 1 1 42 42 ASP N N 39 123.300 123.300 121.575 1.725 17768
2153 1 5 . 1 1 42 42 ASP HA H 39 4.450 4.450 5.075 -0.625 17768
2154 1 5 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.185 1.315 17768
2155 1 5 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.904 -2.604 17768
2156 1 5 . 1 1 42 42 ASP H H 39 7.070 7.070 7.301 -0.231 17768
2157 1 5 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.669 -0.369 17768
2158 1 5 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.270 -0.770 17768
2159 1 5 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.531 -0.431 17768
2160 1 5 . 1 1 44 44 TYR N N 41 122.700 122.700 120.017 2.683 17768
2161 1 5 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.676 -0.076 17768
2162 1 5 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.760 -0.659 17768
2163 1 5 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.528 -1.028 17768
2164 1 5 . 1 1 44 44 TYR H H 41 8.200 8.200 8.677 -0.477 17768
2165 1 5 . 1 1 45 45 PRO HA H 42 5.600 5.600 4.764 0.836 17768
2166 1 5 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.446 0.054 17768
2167 1 5 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.164 2.936 17768
2168 1 5 . 1 1 46 46 TYR N N 43 113.000 113.000 116.019 -3.019 17768
2169 1 5 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.840 0.320 17768
2170 1 5 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.879 0.821 17768
2171 1 5 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.276 0.624 17768
2172 1 5 . 1 1 46 46 TYR H H 43 8.640 8.640 8.626 0.014 17768
2173 1 5 . 1 1 47 47 VAL N N 44 118.300 118.300 120.007 -1.707 17768
2174 1 5 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.938 0.562 17768
2175 1 5 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.955 -0.155 17768
2176 1 5 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.913 -0.613 17768
2177 1 5 . 1 1 47 47 VAL H H 44 8.210 8.210 8.261 -0.051 17768
2178 1 5 . 1 1 48 48 VAL N N 45 127.100 127.100 123.273 3.827 17768
2179 1 5 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.387 0.123 17768
2180 1 5 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.666 0.034 17768
2181 1 5 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.597 0.703 17768
2182 1 5 . 1 1 48 48 VAL H H 45 9.960 9.960 9.383 0.577 17768
2183 1 5 . 1 1 49 49 ILE N N 46 126.500 126.500 125.618 0.882 17768
2184 1 5 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.925 -0.935 17768
2185 1 5 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.453 0.447 17768
2186 1 5 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.833 -0.633 17768
2187 1 5 . 1 1 49 49 ILE H H 46 8.160 8.160 8.648 -0.488 17768
2188 1 5 . 1 1 50 50 GLY N N 47 116.200 116.200 114.243 1.957 17768
2189 1 5 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.574 -0.674 17768
2190 1 5 . 1 1 50 50 GLY H H 47 8.100 8.100 8.789 -0.688 17768
2191 1 5 . 1 1 51 51 ASP N N 48 118.000 118.000 119.808 -1.808 17768
2192 1 5 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.181 -0.691 17768
2193 1 5 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.233 1.667 17768
2194 1 5 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.402 -1.902 17768
2195 1 5 . 1 1 51 51 ASP H H 48 8.150 8.150 8.242 -0.092 17768
2196 1 5 . 1 1 52 52 GLN N N 49 118.000 118.000 121.266 -3.266 17768
2197 1 5 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.738 0.172 17768
2198 1 5 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.535 -0.535 17768
2199 1 5 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.095 1.005 17768
2200 1 5 . 1 1 52 52 GLN H H 49 8.400 8.400 8.930 -0.530 17768
2201 1 5 . 1 1 53 53 SER N N 50 115.900 115.900 116.694 -0.794 17768
2202 1 5 . 1 1 53 53 SER CA C 50 58.200 58.200 58.272 -0.072 17768
2203 1 5 . 1 1 53 53 SER CB C 50 64.700 64.700 64.190 0.510 17768
2204 1 5 . 1 1 53 53 SER H H 50 8.770 8.770 8.535 0.235 17768
2205 1 5 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.605 -0.305 17768
2206 1 5 . 1 1 57 57 PHE N N 54 126.200 126.200 120.270 5.930 17768
2207 1 5 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.729 0.131 17768
2208 1 5 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.508 -4.408 17768
2209 1 5 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.458 -0.058 17768
2210 1 5 . 1 1 57 57 PHE H H 54 8.620 8.620 8.275 0.345 17768
2211 1 5 . 1 1 59 59 THR HA H 56 4.910 4.910 4.374 0.536 17768
2212 1 5 . 1 1 60 60 LYS N N 57 123.900 123.900 125.047 -1.147 17768
2213 1 5 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.599 0.071 17768
2214 1 5 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.236 0.664 17768
2215 1 5 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.276 -0.876 17768
2216 1 5 . 1 1 60 60 LYS H H 57 8.760 8.760 8.663 0.097 17768
2217 1 5 . 1 1 61 61 SER N N 58 113.900 113.900 114.451 -0.551 17768
2218 1 5 . 1 1 61 61 SER HA H 58 4.690 4.690 4.506 0.184 17768
2219 1 5 . 1 1 61 61 SER CA C 58 55.000 55.000 58.046 -3.046 17768
2220 1 5 . 1 1 61 61 SER CB C 58 63.000 63.000 63.811 -0.811 17768
2221 1 5 . 1 1 61 61 SER H H 58 8.400 8.400 7.649 0.751 17768
2222 1 5 . 1 1 66 66 ASN N N 63 117.100 117.100 116.337 0.763 17768
2223 1 5 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.409 0.251 17768
2224 1 5 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.177 0.923 17768
2225 1 5 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.273 0.127 17768
2226 1 5 . 1 1 66 66 ASN H H 63 8.260 8.260 7.921 0.339 17768
2227 1 5 . 1 1 67 67 ILE N N 64 120.300 120.300 118.884 1.416 17768
2228 1 5 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.503 0.117 17768
2229 1 5 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.331 0.969 17768
2230 1 5 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.565 2.635 17768
2231 1 5 . 1 1 67 67 ILE H H 64 8.910 8.910 8.838 0.072 17768
2232 1 5 . 1 1 68 68 THR N N 65 124.100 124.100 124.386 -0.286 17768
2233 1 5 . 1 1 68 68 THR HA H 65 5.490 5.490 4.808 0.682 17768
2234 1 5 . 1 1 68 68 THR CA C 65 61.900 61.900 60.975 0.925 17768
2235 1 5 . 1 1 68 68 THR CB C 65 70.200 70.200 70.536 -0.336 17768
2236 1 5 . 1 1 68 68 THR H H 65 8.940 8.940 8.384 0.556 17768
2237 1 5 . 1 1 69 69 MET N N 66 126.700 126.700 124.858 1.842 17768
2238 1 5 . 1 1 69 69 MET HA H 66 5.050 5.050 4.836 0.214 17768
2239 1 5 . 1 1 69 69 MET CA C 66 55.100 55.100 53.388 1.712 17768
2240 1 5 . 1 1 69 69 MET CB C 66 38.100 38.100 37.964 0.136 17768
2241 1 5 . 1 1 69 69 MET H H 66 9.200 9.200 9.085 0.115 17768
2242 1 5 . 1 1 70 70 ASP N N 67 123.500 123.500 120.562 2.938 17768
2243 1 5 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.022 0.388 17768
2244 1 5 . 1 1 70 70 ASP CA C 67 53.000 53.000 53.364 -0.364 17768
2245 1 5 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.569 -2.069 17768
2246 1 5 . 1 1 70 70 ASP H H 67 7.720 7.720 8.124 -0.404 17768
2247 1 5 . 1 1 71 71 PHE N N 68 116.900 116.900 117.827 -0.927 17768
2248 1 5 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.160 -0.330 17768
2249 1 5 . 1 1 71 71 PHE CA C 68 57.000 57.000 56.284 0.716 17768
2250 1 5 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.793 1.207 17768
2251 1 5 . 1 1 71 71 PHE H H 68 9.130 9.130 9.084 0.046 17768
2252 1 5 . 1 1 72 72 HIS N N 69 120.400 120.400 121.704 -1.304 17768
2253 1 5 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.180 0.250 17768
2254 1 5 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.310 0.890 17768
2255 1 5 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.526 3.574 17768
2256 1 5 . 1 1 72 72 HIS H H 69 9.350 9.350 9.569 -0.219 17768
2257 1 5 . 1 1 73 73 VAL N N 70 124.900 124.900 118.371 6.529 17768
2258 1 5 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.840 -0.400 17768
2259 1 5 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.698 2.302 17768
2260 1 5 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.456 -0.156 17768
2261 1 5 . 1 1 73 73 VAL H H 70 9.610 9.610 8.601 1.009 17768
2262 1 5 . 1 1 74 74 TRP N N 71 129.500 129.500 125.797 3.703 17768
2263 1 5 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.070 -0.130 17768
2264 1 5 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.779 0.021 17768
2265 1 5 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.874 -1.875 17768
2266 1 5 . 1 1 74 74 TRP H H 71 8.790 8.790 9.032 -0.242 17768
2267 1 5 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.762 -0.362 17768
2268 1 5 . 1 1 76 76 GLY N N 73 105.500 105.500 109.726 -4.226 17768
2269 1 5 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.587 -0.787 17768
2270 1 5 . 1 1 76 76 GLY H H 73 8.710 8.710 8.556 0.154 17768
2271 1 5 . 1 1 77 77 THR N N 74 114.200 114.200 114.457 -0.257 17768
2272 1 5 . 1 1 77 77 THR HA H 74 4.460 4.460 4.545 -0.085 17768
2273 1 5 . 1 1 77 77 THR CA C 74 62.700 62.700 61.939 0.761 17768
2274 1 5 . 1 1 77 77 THR CB C 74 70.000 70.000 70.493 -0.493 17768
2275 1 5 . 1 1 77 77 THR H H 74 9.010 9.010 8.018 0.992 17768
2276 1 5 . 1 1 78 78 THR N N 75 110.800 110.800 117.555 -6.755 17768
2277 1 5 . 1 1 78 78 THR CA C 75 59.100 59.100 61.001 -1.901 17768
2278 1 5 . 1 1 78 78 THR H H 75 7.960 7.960 8.031 -0.071 17768
2279 1 5 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.758 0.541 17768
2280 1 5 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.243 -0.643 17768
2281 1 5 . 1 1 80 80 ALA N N 77 120.500 120.500 120.795 -0.295 17768
2282 1 5 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.080 -0.060 17768
2283 1 5 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.525 0.875 17768
2284 1 5 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.123 0.577 17768
2285 1 5 . 1 1 80 80 ALA H H 77 8.290 8.290 8.181 0.109 17768
2286 1 5 . 1 1 81 81 GLU N N 78 118.800 118.800 118.959 -0.159 17768
2287 1 5 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.059 -0.019 17768
2288 1 5 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.969 0.731 17768
2289 1 5 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.211 1.289 17768
2290 1 5 . 1 1 81 81 GLU H H 78 7.930 7.930 8.051 -0.121 17768
2291 1 5 . 1 1 82 82 ALA N N 79 119.700 119.700 120.877 -1.177 17768
2292 1 5 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.037 -0.157 17768
2293 1 5 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.689 -0.189 17768
2294 1 5 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.373 0.027 17768
2295 1 5 . 1 1 82 82 ALA H H 79 7.470 7.470 7.613 -0.143 17768
2296 1 5 . 1 1 83 83 GLN N N 80 120.700 120.700 118.274 2.426 17768
2297 1 5 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.075 -0.245 17768
2298 1 5 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.927 0.273 17768
2299 1 5 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.387 0.313 17768
2300 1 5 . 1 1 83 83 GLN H H 80 8.690 8.690 7.803 0.887 17768
2301 1 5 . 1 1 84 84 ASP N N 81 123.100 123.100 121.767 1.333 17768
2302 1 5 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.403 -0.033 17768
2303 1 5 . 1 1 84 84 ASP CA C 81 58.500 58.500 58.400 0.100 17768
2304 1 5 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.726 -0.426 17768
2305 1 5 . 1 1 84 84 ASP H H 81 8.480 8.480 8.626 -0.146 17768
2306 1 5 . 1 1 85 85 ILE N N 82 119.300 119.300 117.296 2.004 17768
2307 1 5 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.721 -0.181 17768
2308 1 5 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.559 1.141 17768
2309 1 5 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.597 0.903 17768
2310 1 5 . 1 1 85 85 ILE H H 82 8.340 8.340 8.509 -0.169 17768
2311 1 5 . 1 1 86 86 SER N N 83 114.800 114.800 117.839 -3.039 17768
2312 1 5 . 1 1 86 86 SER HA H 83 4.560 4.560 4.066 0.494 17768
2313 1 5 . 1 1 86 86 SER CA C 83 63.500 63.500 62.543 0.957 17768
2314 1 5 . 1 1 86 86 SER H H 83 7.880 7.880 7.907 -0.027 17768
2315 1 5 . 1 1 87 87 SER N N 84 117.400 117.400 118.719 -1.319 17768
2316 1 5 . 1 1 87 87 SER HA H 84 4.400 4.400 4.138 0.262 17768
2317 1 5 . 1 1 87 87 SER CA C 84 58.100 58.100 61.979 -3.879 17768
2318 1 5 . 1 1 87 87 SER H H 84 8.320 8.320 8.020 0.300 17768
2319 1 5 . 1 1 88 88 ARG N N 85 121.100 121.100 121.669 -0.569 17768
2320 1 5 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.234 -0.144 17768
2321 1 5 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.875 -0.175 17768
2322 1 5 . 1 1 88 88 ARG H H 85 7.780 7.780 8.154 -0.374 17768
2323 1 5 . 1 1 89 89 VAL N N 86 121.200 121.200 121.059 0.141 17768
2324 1 5 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.730 -0.370 17768
2325 1 5 . 1 1 89 89 VAL CA C 86 67.500 67.500 65.899 1.601 17768
2326 1 5 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.710 -0.710 17768
2327 1 5 . 1 1 89 89 VAL H H 86 8.190 8.190 8.132 0.058 17768
2328 1 5 . 1 1 90 90 LEU N N 87 117.500 117.500 120.844 -3.344 17768
2329 1 5 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.920 -0.230 17768
2330 1 5 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.188 0.112 17768
2331 1 5 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.995 0.305 17768
2332 1 5 . 1 1 90 90 LEU H H 87 7.330 7.330 7.861 -0.531 17768
2333 1 5 . 1 1 91 91 GLU N N 88 118.500 118.500 119.532 -1.032 17768
2334 1 5 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.934 -0.314 17768
2335 1 5 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.679 0.421 17768
2336 1 5 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.150 1.450 17768
2337 1 5 . 1 1 91 91 GLU H H 88 7.810 7.810 8.276 -0.466 17768
2338 1 5 . 1 1 92 92 ALA N N 89 121.800 121.800 121.130 0.670 17768
2339 1 5 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.885 -0.825 17768
2340 1 5 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.984 -0.584 17768
2341 1 5 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.838 1.362 17768
2342 1 5 . 1 1 92 92 ALA H H 89 7.820 7.820 7.503 0.317 17768
2343 1 5 . 1 1 93 93 LEU N N 90 113.600 113.600 115.656 -2.056 17768
2344 1 5 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.349 -0.329 17768
2345 1 5 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.153 0.047 17768
2346 1 5 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.027 1.673 17768
2347 1 5 . 1 1 93 93 LEU H H 90 7.570 7.570 8.035 -0.465 17768
2348 1 5 . 1 1 94 94 THR N N 91 102.400 102.400 109.017 -6.617 17768
2349 1 5 . 1 1 94 94 THR HA H 91 4.510 4.510 4.403 0.107 17768
2350 1 5 . 1 1 94 94 THR CA C 91 61.500 61.500 62.256 -0.756 17768
2351 1 5 . 1 1 94 94 THR CB C 91 71.300 71.300 69.209 2.091 17768
2352 1 5 . 1 1 94 94 THR H H 91 7.280 7.280 7.516 -0.236 17768
2353 1 5 . 1 1 95 95 TYR N N 92 123.600 123.600 124.516 -0.916 17768
2354 1 5 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.300 0.030 17768
2355 1 5 . 1 1 95 95 TYR CA C 92 59.700 59.700 60.192 -0.492 17768
2356 1 5 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.497 -1.897 17768
2357 1 5 . 1 1 95 95 TYR H H 92 7.900 7.900 7.957 -0.057 17768
2358 1 5 . 1 1 96 96 LYS N N 93 117.500 117.500 119.463 -1.963 17768
2359 1 5 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.454 0.096 17768
2360 1 5 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.597 1.103 17768
2361 1 5 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.795 -0.295 17768
2362 1 5 . 1 1 96 96 LYS H H 93 7.000 7.000 7.351 -0.351 17768
2363 1 5 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.517 -0.147 17768
2364 1 5 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.307 1.293 17768
2365 1 5 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.636 0.064 17768
2366 1 5 . 1 1 98 98 LEU N N 95 125.400 125.400 124.437 0.963 17768
2367 1 5 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.456 0.164 17768
2368 1 5 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.247 -0.447 17768
2369 1 5 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.005 3.595 17768
2370 1 5 . 1 1 98 98 LEU H H 95 8.380 8.380 8.518 -0.138 17768
2371 1 5 . 1 1 99 99 MET N N 96 123.100 123.100 122.438 0.662 17768
2372 1 5 . 1 1 99 99 MET HA H 96 5.480 5.480 4.833 0.647 17768
2373 1 5 . 1 1 99 99 MET CA C 96 55.200 55.200 54.960 0.240 17768
2374 1 5 . 1 1 99 99 MET CB C 96 37.200 37.200 37.099 0.101 17768
2375 1 5 . 1 1 99 99 MET H H 96 8.480 8.480 8.157 0.323 17768
2376 1 5 . 1 1 100 100 PHE N N 97 122.900 122.900 123.211 -0.311 17768
2377 1 5 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.988 -0.598 17768
2378 1 5 . 1 1 100 100 PHE CA C 97 60.300 60.300 58.077 2.223 17768
2379 1 5 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.288 1.812 17768
2380 1 5 . 1 1 100 100 PHE H H 97 8.640 8.640 9.049 -0.409 17768
2381 1 5 . 1 1 101 101 GLU N N 98 125.300 125.300 124.381 0.919 17768
2382 1 5 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.621 -0.191 17768
2383 1 5 . 1 1 101 101 GLU CA C 98 58.200 58.200 58.054 0.145 17768
2384 1 5 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.543 -0.143 17768
2385 1 5 . 1 1 101 101 GLU H H 98 8.640 8.640 8.743 -0.103 17768
2386 1 5 . 1 1 102 102 GLY N N 99 107.100 107.100 106.142 0.958 17768
2387 1 5 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.662 1.038 17768
2388 1 5 . 1 1 102 102 GLY H H 99 8.250 8.250 7.462 0.788 17768
2389 1 5 . 1 1 103 103 PHE N N 100 120.200 120.200 121.213 -1.013 17768
2390 1 5 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.688 0.042 17768
2391 1 5 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.130 1.770 17768
2392 1 5 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.852 2.148 17768
2393 1 5 . 1 1 103 103 PHE H H 100 8.310 8.310 8.065 0.245 17768
2394 1 5 . 1 1 104 104 THR N N 101 116.100 116.100 118.664 -2.564 17768
2395 1 5 . 1 1 104 104 THR HA H 101 4.970 4.970 4.265 0.705 17768
2396 1 5 . 1 1 104 104 THR CA C 101 61.900 61.900 61.277 0.623 17768
2397 1 5 . 1 1 104 104 THR CB C 101 71.400 71.400 70.521 0.879 17768
2398 1 5 . 1 1 104 104 THR H H 101 8.250 8.250 8.409 -0.159 17768
2399 1 5 . 1 1 105 105 PHE N N 102 123.200 123.200 122.740 0.460 17768
2400 1 5 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.875 0.735 17768
2401 1 5 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.142 -0.542 17768
2402 1 5 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.756 1.844 17768
2403 1 5 . 1 1 105 105 PHE H H 102 8.840 8.840 8.305 0.535 17768
2404 1 5 . 1 1 106 106 VAL N N 103 120.000 120.000 122.623 -2.623 17768
2405 1 5 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.479 0.021 17768
2406 1 5 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.745 0.456 17768
2407 1 5 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.883 0.317 17768
2408 1 5 . 1 1 106 106 VAL H H 103 8.460 8.460 8.344 0.116 17768
2409 1 5 . 1 1 107 107 ALA N N 104 130.400 130.400 130.243 0.157 17768
2410 1 5 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.670 -0.830 17768
2411 1 5 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.445 0.955 17768
2412 1 5 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.627 -1.827 17768
2413 1 5 . 1 1 107 107 ALA H H 104 9.210 9.210 8.578 0.632 17768
2414 1 5 . 1 1 108 108 LYS N N 105 127.100 127.100 125.601 1.499 17768
2415 1 5 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.533 -0.303 17768
2416 1 5 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.111 0.089 17768
2417 1 5 . 1 1 108 108 LYS H H 105 8.670 8.670 8.505 0.165 17768
2418 1 5 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.325 0.175 17768
2419 1 5 . 1 1 115 115 VAL CA C 112 62.200 62.200 62.096 0.104 17768
2420 1 5 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.809 0.691 17768
2421 1 5 . 1 1 116 116 ILE N N 113 125.200 125.200 123.753 1.447 17768
2422 1 5 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.499 0.021 17768
2423 1 5 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.406 -0.506 17768
2424 1 5 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.393 1.307 17768
2425 1 5 . 1 1 116 116 ILE H H 113 8.760 8.760 8.259 0.501 17768
2426 1 5 . 1 1 117 117 THR N N 114 119.000 119.000 119.534 -0.534 17768
2427 1 5 . 1 1 117 117 THR HA H 114 4.560 4.560 4.618 -0.058 17768
2428 1 5 . 1 1 117 117 THR CA C 114 62.300 62.300 60.810 1.490 17768
2429 1 5 . 1 1 117 117 THR CB C 114 69.400 69.400 70.320 -0.920 17768
2430 1 5 . 1 1 117 117 THR H H 114 8.380 8.380 8.189 0.191 17768
2431 1 5 . 1 1 118 118 ASP N N 115 126.200 126.200 127.435 -1.235 17768
2432 1 5 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.882 -0.232 17768
2433 1 5 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.758 0.742 17768
2434 1 5 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.502 0.798 17768
2435 1 5 . 1 1 118 118 ASP H H 115 8.920 8.920 8.526 0.394 17768
2436 1 5 . 1 1 119 119 THR HA H 116 3.990 3.990 4.144 -0.154 17768
2437 1 5 . 1 1 119 119 THR CA C 116 64.800 64.800 64.135 0.665 17768
2438 1 5 . 1 1 119 119 THR CB C 116 69.200 69.200 68.909 0.291 17768
2439 1 5 . 1 1 120 120 ASP N N 117 120.500 120.500 121.462 -0.962 17768
2440 1 5 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.305 0.495 17768
2441 1 5 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.476 -0.776 17768
2442 1 5 . 1 1 120 120 ASP H H 117 8.360 8.360 8.193 0.167 17768
2443 1 5 . 1 1 121 121 GLY N N 118 108.600 108.600 108.228 0.372 17768
2444 1 5 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.226 0.574 17768
2445 1 5 . 1 1 121 121 GLY H H 118 8.310 8.310 7.766 0.544 17768
2446 1 5 . 1 1 122 122 VAL N N 119 118.600 118.600 118.195 0.405 17768
2447 1 5 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.177 0.023 17768
2448 1 5 . 1 1 122 122 VAL CA C 119 63.200 63.200 62.541 0.659 17768
2449 1 5 . 1 1 122 122 VAL CB C 119 36.000 36.000 31.698 4.302 17768
2450 1 5 . 1 1 122 122 VAL H H 119 8.500 8.500 7.591 0.909 17768
2451 1 5 . 1 1 123 123 THR N N 120 123.300 123.300 123.672 -0.372 17768
2452 1 5 . 1 1 123 123 THR HA H 120 4.030 4.030 4.364 -0.334 17768
2453 1 5 . 1 1 123 123 THR CA C 120 64.800 64.800 63.003 1.797 17768
2454 1 5 . 1 1 123 123 THR CB C 120 68.400 68.400 69.155 -0.755 17768
2455 1 5 . 1 1 123 123 THR H H 120 9.700 9.700 8.276 1.424 17768
2456 1 5 . 1 1 124 124 LYS N N 121 125.500 125.500 127.560 -2.060 17768
2457 1 5 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.612 -0.062 17768
2458 1 5 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.635 -1.335 17768
2459 1 5 . 1 1 124 124 LYS H H 121 8.650 8.650 8.601 0.049 17768
2460 1 5 . 1 1 125 125 HIS N N 122 121.400 121.400 121.268 0.132 17768
2461 1 5 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.786 0.294 17768
2462 1 5 . 1 1 125 125 HIS CA C 122 51.600 51.600 55.182 -3.582 17768
2463 1 5 . 1 1 125 125 HIS CB C 122 31.600 31.600 31.561 0.039 17768
2464 1 5 . 1 1 125 125 HIS H H 122 8.580 8.580 8.466 0.114 17768
2465 1 5 . 1 1 126 126 GLY N N 123 114.000 114.000 110.092 3.908 17768
2466 1 5 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.070 0.130 17768
2467 1 5 . 1 1 126 126 GLY H H 123 10.010 10.010 8.408 1.602 17768
2468 1 5 . 1 1 127 127 ILE N N 124 124.000 124.000 123.065 0.935 17768
2469 1 5 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.801 -0.322 17768
2470 1 5 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.971 1.729 17768
2471 1 5 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.889 1.211 17768
2472 1 5 . 1 1 127 127 ILE H H 124 8.740 8.740 8.297 0.443 17768
2473 1 5 . 1 1 128 128 ILE N N 125 126.200 126.200 129.134 -2.934 17768
2474 1 5 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.449 0.331 17768
2475 1 5 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.128 -0.028 17768
2476 1 5 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.356 1.444 17768
2477 1 5 . 1 1 128 128 ILE H H 125 8.640 8.640 9.160 -0.520 17768
2478 1 5 . 1 1 129 129 LYS N N 126 126.300 126.300 126.961 -0.661 17768
2479 1 5 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.763 0.647 17768
2480 1 5 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.246 0.354 17768
2481 1 5 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.440 1.660 17768
2482 1 5 . 1 1 129 129 LYS H H 126 8.990 8.990 8.523 0.467 17768
2483 1 5 . 1 1 130 130 VAL N N 127 126.300 126.300 121.592 4.708 17768
2484 1 5 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.327 0.233 17768
2485 1 5 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.998 1.102 17768
2486 1 5 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.139 0.861 17768
2487 1 5 . 1 1 130 130 VAL H H 127 8.880 8.880 8.946 -0.066 17768
2488 1 5 . 1 1 131 131 ARG N N 128 126.600 126.600 126.508 0.092 17768
2489 1 5 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.888 0.072 17768
2490 1 5 . 1 1 131 131 ARG CA C 128 55.600 55.600 52.864 2.736 17768
2491 1 5 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.362 0.238 17768
2492 1 5 . 1 1 131 131 ARG H H 128 8.720 8.720 8.383 0.337 17768
2493 1 5 . 1 1 132 132 PHE N N 129 125.700 125.700 121.788 3.912 17768
2494 1 5 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.481 0.129 17768
2495 1 5 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.523 0.077 17768
2496 1 5 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.960 0.440 17768
2497 1 5 . 1 1 132 132 PHE H H 129 9.720 9.720 9.006 0.714 17768
2498 1 5 . 1 1 133 133 THR N N 130 114.700 114.700 118.626 -3.926 17768
2499 1 5 . 1 1 133 133 THR HA H 130 5.070 5.070 5.132 -0.062 17768
2500 1 5 . 1 1 133 133 THR CA C 130 61.800 61.800 61.780 0.020 17768
2501 1 5 . 1 1 133 133 THR CB C 130 71.100 71.100 71.419 -0.319 17768
2502 1 5 . 1 1 133 133 THR H H 130 9.100 9.100 9.231 -0.131 17768
2503 1 5 . 1 1 134 134 ILE N N 131 123.000 123.000 122.875 0.125 17768
2504 1 5 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.935 1.464 17768
2505 1 5 . 1 1 134 134 ILE H H 131 8.400 8.400 8.802 -0.402 17768
2506 1 6 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.140 0.100 17768
2507 1 6 . 1 1 6 6 TRP CB C 3 29.900 29.900 28.626 1.274 17768
2508 1 6 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.366 0.434 17768
2509 1 6 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.285 -1.585 17768
2510 1 6 . 1 1 9 9 ALA N N 6 122.500 122.500 120.604 1.896 17768
2511 1 6 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.712 -0.732 17768
2512 1 6 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.642 0.058 17768
2513 1 6 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.723 1.077 17768
2514 1 6 . 1 1 9 9 ALA H H 6 8.150 8.150 7.957 0.193 17768
2515 1 6 . 1 1 10 10 SER N N 7 112.300 112.300 114.293 -1.993 17768
2516 1 6 . 1 1 10 10 SER HA H 7 3.660 3.660 3.945 -0.285 17768
2517 1 6 . 1 1 10 10 SER CA C 7 62.300 62.300 61.179 1.121 17768
2518 1 6 . 1 1 10 10 SER H H 7 7.910 7.910 7.858 0.052 17768
2519 1 6 . 1 1 11 11 ARG N N 8 122.300 122.300 122.010 0.290 17768
2520 1 6 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.085 -0.135 17768
2521 1 6 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.650 0.950 17768
2522 1 6 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.873 -0.073 17768
2523 1 6 . 1 1 11 11 ARG H H 8 7.390 7.390 7.516 -0.126 17768
2524 1 6 . 1 1 12 12 ALA N N 9 121.500 121.500 122.369 -0.869 17768
2525 1 6 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.792 0.078 17768
2526 1 6 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.300 0.700 17768
2527 1 6 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.951 2.249 17768
2528 1 6 . 1 1 12 12 ALA H H 9 7.720 7.720 7.436 0.284 17768
2529 1 6 . 1 1 13 13 LEU N N 10 119.000 119.000 118.499 0.501 17768
2530 1 6 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.036 -1.126 17768
2531 1 6 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.405 0.195 17768
2532 1 6 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.667 -0.667 17768
2533 1 6 . 1 1 13 13 LEU H H 10 7.940 7.940 7.268 0.672 17768
2534 1 6 . 1 1 14 14 GLN N N 11 119.300 119.300 119.526 -0.226 17768
2535 1 6 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.941 -0.591 17768
2536 1 6 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.258 2.442 17768
2537 1 6 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.827 0.173 17768
2538 1 6 . 1 1 14 14 GLN H H 11 7.390 7.390 8.022 -0.632 17768
2539 1 6 . 1 1 15 15 LYS N N 12 116.200 116.200 121.066 -4.866 17768
2540 1 6 . 1 1 15 15 LYS HA H 12 3.620 3.620 3.974 -0.354 17768
2541 1 6 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.444 -1.144 17768
2542 1 6 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.162 -0.362 17768
2543 1 6 . 1 1 15 15 LYS H H 12 7.470 7.470 7.608 -0.138 17768
2544 1 6 . 1 1 16 16 ALA N N 13 121.700 121.700 121.518 0.182 17768
2545 1 6 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.363 -0.193 17768
2546 1 6 . 1 1 16 16 ALA CA C 13 55.400 55.400 54.946 0.454 17768
2547 1 6 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.270 1.329 17768
2548 1 6 . 1 1 16 16 ALA H H 13 8.560 8.560 7.825 0.735 17768
2549 1 6 . 1 1 17 17 THR N N 14 108.700 108.700 113.443 -4.743 17768
2550 1 6 . 1 1 17 17 THR HA H 14 3.650 3.650 4.198 -0.548 17768
2551 1 6 . 1 1 17 17 THR CA C 14 66.500 66.500 65.730 0.770 17768
2552 1 6 . 1 1 17 17 THR CB C 14 69.300 69.300 68.239 1.061 17768
2553 1 6 . 1 1 17 17 THR H H 14 8.210 8.210 7.841 0.369 17768
2554 1 6 . 1 1 18 18 VAL N N 15 122.600 122.600 121.842 0.758 17768
2555 1 6 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.605 -0.205 17768
2556 1 6 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.092 2.308 17768
2557 1 6 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.664 -0.164 17768
2558 1 6 . 1 1 18 18 VAL H H 15 7.570 7.570 8.043 -0.473 17768
2559 1 6 . 1 1 19 19 GLU N N 16 117.400 117.400 119.476 -2.076 17768
2560 1 6 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.268 -0.098 17768
2561 1 6 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.569 0.131 17768
2562 1 6 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.525 -0.325 17768
2563 1 6 . 1 1 19 19 GLU H H 16 7.560 7.560 8.519 -0.959 17768
2564 1 6 . 1 1 20 20 ASN N N 17 120.900 120.900 119.480 1.420 17768
2565 1 6 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.660 -0.430 17768
2566 1 6 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.049 1.151 17768
2567 1 6 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.780 0.120 17768
2568 1 6 . 1 1 20 20 ASN H H 17 8.150 8.150 8.472 -0.322 17768
2569 1 6 . 1 1 21 21 LEU N N 18 119.500 119.500 119.855 -0.355 17768
2570 1 6 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.163 -0.243 17768
2571 1 6 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.625 2.475 17768
2572 1 6 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.850 0.750 17768
2573 1 6 . 1 1 21 21 LEU H H 18 8.500 8.500 8.171 0.329 17768
2574 1 6 . 1 1 22 22 GLU N N 19 112.100 112.100 116.784 -4.684 17768
2575 1 6 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.197 0.403 17768
2576 1 6 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.066 0.633 17768
2577 1 6 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.457 -0.257 17768
2578 1 6 . 1 1 22 22 GLU H H 19 8.450 8.450 8.085 0.365 17768
2579 1 6 . 1 1 23 23 SER N N 20 110.300 110.300 115.137 -4.837 17768
2580 1 6 . 1 1 23 23 SER HA H 20 4.490 4.490 4.533 -0.043 17768
2581 1 6 . 1 1 23 23 SER CA C 20 58.600 58.600 60.289 -1.689 17768
2582 1 6 . 1 1 23 23 SER H H 20 7.570 7.570 8.101 -0.531 17768
2583 1 6 . 1 1 24 24 TYR N N 21 125.300 125.300 125.188 0.112 17768
2584 1 6 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.164 0.416 17768
2585 1 6 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.251 2.450 17768
2586 1 6 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.410 -0.010 17768
2587 1 6 . 1 1 24 24 TYR H H 21 7.560 7.560 8.142 -0.582 17768
2588 1 6 . 1 1 25 25 GLN N N 22 130.000 130.000 127.633 2.367 17768
2589 1 6 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.994 -0.144 17768
2590 1 6 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.603 1.197 17768
2591 1 6 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.032 0.268 17768
2592 1 6 . 1 1 25 25 GLN H H 22 8.710 8.710 8.206 0.504 17768
2593 1 6 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.336 -0.326 17768
2594 1 6 . 1 1 27 27 LEU N N 24 112.400 112.400 118.430 -6.030 17768
2595 1 6 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.157 0.053 17768
2596 1 6 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.599 0.701 17768
2597 1 6 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.096 1.004 17768
2598 1 6 . 1 1 27 27 LEU H H 24 6.720 6.720 7.549 -0.829 17768
2599 1 6 . 1 1 28 28 MET N N 25 116.900 116.900 115.748 1.152 17768
2600 1 6 . 1 1 28 28 MET HA H 25 4.510 4.510 4.153 0.357 17768
2601 1 6 . 1 1 28 28 MET CA C 25 55.900 55.900 58.529 -2.629 17768
2602 1 6 . 1 1 28 28 MET CB C 25 29.100 29.100 32.720 -3.620 17768
2603 1 6 . 1 1 28 28 MET H H 25 7.620 7.620 7.318 0.302 17768
2604 1 6 . 1 1 29 29 GLU N N 26 116.100 116.100 117.515 -1.415 17768
2605 1 6 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.212 -0.072 17768
2606 1 6 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.764 0.636 17768
2607 1 6 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.706 0.594 17768
2608 1 6 . 1 1 29 29 GLU H H 26 8.060 8.060 7.801 0.259 17768
2609 1 6 . 1 1 30 30 MET N N 27 115.100 115.100 118.209 -3.109 17768
2610 1 6 . 1 1 30 30 MET HA H 27 4.450 4.450 4.478 -0.028 17768
2611 1 6 . 1 1 30 30 MET CA C 27 57.000 57.000 56.344 0.656 17768
2612 1 6 . 1 1 30 30 MET CB C 27 36.500 36.500 34.408 2.092 17768
2613 1 6 . 1 1 30 30 MET H H 27 7.920 7.920 7.326 0.594 17768
2614 1 6 . 1 1 31 31 VAL N N 28 107.100 107.100 117.462 -10.362 17768
2615 1 6 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.227 0.483 17768
2616 1 6 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.141 -1.541 17768
2617 1 6 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.562 1.938 17768
2618 1 6 . 1 1 31 31 VAL H H 28 7.180 7.180 8.038 -0.858 17768
2619 1 6 . 1 1 32 32 ASN N N 29 115.300 115.300 123.207 -7.907 17768
2620 1 6 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.830 -0.130 17768
2621 1 6 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.991 1.809 17768
2622 1 6 . 1 1 32 32 ASN CB C 29 40.400 40.400 40.154 0.246 17768
2623 1 6 . 1 1 32 32 ASN H H 29 8.670 8.670 8.548 0.122 17768
2624 1 6 . 1 1 33 33 GLN N N 30 108.900 108.900 119.352 -10.452 17768
2625 1 6 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.596 0.024 17768
2626 1 6 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.337 1.263 17768
2627 1 6 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.246 1.154 17768
2628 1 6 . 1 1 33 33 GLN H H 30 7.190 7.190 8.451 -1.261 17768
2629 1 6 . 1 1 34 34 VAL N N 31 122.000 122.000 122.065 -0.065 17768
2630 1 6 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.968 -0.058 17768
2631 1 6 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.790 0.810 17768
2632 1 6 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.452 1.348 17768
2633 1 6 . 1 1 34 34 VAL H H 31 8.860 8.860 8.034 0.826 17768
2634 1 6 . 1 1 35 35 THR N N 32 119.200 119.200 123.442 -4.242 17768
2635 1 6 . 1 1 35 35 THR HA H 32 4.900 4.900 4.731 0.169 17768
2636 1 6 . 1 1 35 35 THR CA C 32 59.100 59.100 60.515 -1.415 17768
2637 1 6 . 1 1 35 35 THR CB C 32 70.100 70.100 70.993 -0.893 17768
2638 1 6 . 1 1 35 35 THR H H 32 8.910 8.910 8.721 0.189 17768
2639 1 6 . 1 1 36 36 GLU H H 33 8.200 8.200 8.698 -0.498 17768
2640 1 6 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.583 -0.463 17768
2641 1 6 . 1 1 39 39 GLY N N 36 111.100 111.100 105.942 5.158 17768
2642 1 6 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.384 -0.684 17768
2643 1 6 . 1 1 39 39 GLY H H 36 8.570 8.570 8.429 0.141 17768
2644 1 6 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.067 -0.247 17768
2645 1 6 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.035 0.765 17768
2646 1 6 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.474 1.126 17768
2647 1 6 . 1 1 40 40 LYS H H 37 7.070 7.070 8.653 -1.583 17768
2648 1 6 . 1 1 41 41 ASP N N 38 116.100 116.100 115.801 0.299 17768
2649 1 6 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.663 -0.093 17768
2650 1 6 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.513 -0.013 17768
2651 1 6 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.158 0.642 17768
2652 1 6 . 1 1 41 41 ASP H H 38 8.250 8.250 8.301 -0.051 17768
2653 1 6 . 1 1 42 42 ASP N N 39 123.300 123.300 122.744 0.556 17768
2654 1 6 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.843 -0.393 17768
2655 1 6 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.174 1.326 17768
2656 1 6 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.248 -0.948 17768
2657 1 6 . 1 1 42 42 ASP H H 39 7.070 7.070 7.467 -0.397 17768
2658 1 6 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.450 -0.150 17768
2659 1 6 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.826 -0.326 17768
2660 1 6 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.352 -0.252 17768
2661 1 6 . 1 1 44 44 TYR N N 41 122.700 122.700 119.470 3.230 17768
2662 1 6 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.945 -0.345 17768
2663 1 6 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.692 -0.592 17768
2664 1 6 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.903 -1.403 17768
2665 1 6 . 1 1 44 44 TYR H H 41 8.200 8.200 8.501 -0.301 17768
2666 1 6 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.275 0.325 17768
2667 1 6 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.581 -0.081 17768
2668 1 6 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.811 2.289 17768
2669 1 6 . 1 1 46 46 TYR N N 43 113.000 113.000 116.263 -3.263 17768
2670 1 6 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.798 0.362 17768
2671 1 6 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.788 0.912 17768
2672 1 6 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.117 0.783 17768
2673 1 6 . 1 1 46 46 TYR H H 43 8.640 8.640 8.837 -0.197 17768
2674 1 6 . 1 1 47 47 VAL N N 44 118.300 118.300 120.018 -1.718 17768
2675 1 6 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.772 0.728 17768
2676 1 6 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.836 -0.036 17768
2677 1 6 . 1 1 47 47 VAL CB C 44 35.300 35.300 36.040 -0.740 17768
2678 1 6 . 1 1 47 47 VAL H H 44 8.210 8.210 8.151 0.059 17768
2679 1 6 . 1 1 48 48 VAL N N 45 127.100 127.100 122.836 4.264 17768
2680 1 6 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.329 0.181 17768
2681 1 6 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.503 0.197 17768
2682 1 6 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.889 0.411 17768
2683 1 6 . 1 1 48 48 VAL H H 45 9.960 9.960 9.069 0.891 17768
2684 1 6 . 1 1 49 49 ILE N N 46 126.500 126.500 126.414 0.086 17768
2685 1 6 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.918 -0.928 17768
2686 1 6 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.699 0.201 17768
2687 1 6 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.997 0.203 17768
2688 1 6 . 1 1 49 49 ILE H H 46 8.160 8.160 8.090 0.070 17768
2689 1 6 . 1 1 50 50 GLY N N 47 116.200 116.200 114.559 1.641 17768
2690 1 6 . 1 1 50 50 GLY CA C 47 44.900 44.900 46.061 -1.161 17768
2691 1 6 . 1 1 50 50 GLY H H 47 8.100 8.100 9.168 -1.068 17768
2692 1 6 . 1 1 51 51 ASP N N 48 118.000 118.000 118.286 -0.286 17768
2693 1 6 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.063 -0.573 17768
2694 1 6 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.670 2.230 17768
2695 1 6 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.489 -0.989 17768
2696 1 6 . 1 1 51 51 ASP H H 48 8.150 8.150 8.262 -0.112 17768
2697 1 6 . 1 1 52 52 GLN N N 49 118.000 118.000 118.944 -0.944 17768
2698 1 6 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.579 0.331 17768
2699 1 6 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.157 0.843 17768
2700 1 6 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.481 0.619 17768
2701 1 6 . 1 1 52 52 GLN H H 49 8.400 8.400 8.732 -0.332 17768
2702 1 6 . 1 1 53 53 SER N N 50 115.900 115.900 119.045 -3.145 17768
2703 1 6 . 1 1 53 53 SER CA C 50 58.200 58.200 58.796 -0.596 17768
2704 1 6 . 1 1 53 53 SER CB C 50 64.700 64.700 61.467 3.233 17768
2705 1 6 . 1 1 53 53 SER H H 50 8.770 8.770 8.733 0.037 17768
2706 1 6 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.622 -0.322 17768
2707 1 6 . 1 1 57 57 PHE N N 54 126.200 126.200 123.914 2.286 17768
2708 1 6 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.740 0.120 17768
2709 1 6 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.568 -4.468 17768
2710 1 6 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.133 0.267 17768
2711 1 6 . 1 1 57 57 PHE H H 54 8.620 8.620 8.610 0.010 17768
2712 1 6 . 1 1 59 59 THR HA H 56 4.910 4.910 4.450 0.460 17768
2713 1 6 . 1 1 60 60 LYS N N 57 123.900 123.900 120.996 2.904 17768
2714 1 6 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.632 0.038 17768
2715 1 6 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.858 1.042 17768
2716 1 6 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.286 -1.887 17768
2717 1 6 . 1 1 60 60 LYS H H 57 8.760 8.760 8.467 0.293 17768
2718 1 6 . 1 1 61 61 SER N N 58 113.900 113.900 113.651 0.249 17768
2719 1 6 . 1 1 61 61 SER HA H 58 4.690 4.690 4.744 -0.054 17768
2720 1 6 . 1 1 61 61 SER CA C 58 55.000 55.000 58.069 -3.070 17768
2721 1 6 . 1 1 61 61 SER CB C 58 63.000 63.000 65.044 -2.045 17768
2722 1 6 . 1 1 61 61 SER H H 58 8.400 8.400 8.054 0.346 17768
2723 1 6 . 1 1 66 66 ASN N N 63 117.100 117.100 116.398 0.702 17768
2724 1 6 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.154 0.506 17768
2725 1 6 . 1 1 66 66 ASN CA C 63 53.100 53.100 53.231 -0.131 17768
2726 1 6 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.752 0.648 17768
2727 1 6 . 1 1 66 66 ASN H H 63 8.260 8.260 7.770 0.490 17768
2728 1 6 . 1 1 67 67 ILE N N 64 120.300 120.300 125.749 -5.449 17768
2729 1 6 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.508 0.112 17768
2730 1 6 . 1 1 67 67 ILE CA C 64 61.300 61.300 58.753 2.547 17768
2731 1 6 . 1 1 67 67 ILE CB C 64 43.200 43.200 37.969 5.231 17768
2732 1 6 . 1 1 67 67 ILE H H 64 8.910 8.910 8.896 0.014 17768
2733 1 6 . 1 1 68 68 THR N N 65 124.100 124.100 120.708 3.392 17768
2734 1 6 . 1 1 68 68 THR HA H 65 5.490 5.490 4.748 0.742 17768
2735 1 6 . 1 1 68 68 THR CA C 65 61.900 61.900 60.855 1.045 17768
2736 1 6 . 1 1 68 68 THR CB C 65 70.200 70.200 70.567 -0.367 17768
2737 1 6 . 1 1 68 68 THR H H 65 8.940 8.940 8.590 0.350 17768
2738 1 6 . 1 1 69 69 MET N N 66 126.700 126.700 125.552 1.148 17768
2739 1 6 . 1 1 69 69 MET HA H 66 5.050 5.050 4.916 0.134 17768
2740 1 6 . 1 1 69 69 MET CA C 66 55.100 55.100 54.605 0.495 17768
2741 1 6 . 1 1 69 69 MET CB C 66 38.100 38.100 38.096 0.004 17768
2742 1 6 . 1 1 69 69 MET H H 66 9.200 9.200 8.996 0.204 17768
2743 1 6 . 1 1 70 70 ASP N N 67 123.500 123.500 121.104 2.396 17768
2744 1 6 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.389 0.021 17768
2745 1 6 . 1 1 70 70 ASP CA C 67 53.000 53.000 53.341 -0.341 17768
2746 1 6 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.158 -1.658 17768
2747 1 6 . 1 1 70 70 ASP H H 67 7.720 7.720 8.300 -0.580 17768
2748 1 6 . 1 1 71 71 PHE N N 68 116.900 116.900 116.683 0.217 17768
2749 1 6 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.321 -0.491 17768
2750 1 6 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.302 1.698 17768
2751 1 6 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.515 1.485 17768
2752 1 6 . 1 1 71 71 PHE H H 68 9.130 9.130 8.695 0.435 17768
2753 1 6 . 1 1 72 72 HIS N N 69 120.400 120.400 119.719 0.681 17768
2754 1 6 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.072 0.358 17768
2755 1 6 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.112 1.088 17768
2756 1 6 . 1 1 72 72 HIS CB C 69 35.100 35.100 32.287 2.813 17768
2757 1 6 . 1 1 72 72 HIS H H 69 9.350 9.350 9.278 0.072 17768
2758 1 6 . 1 1 73 73 VAL N N 70 124.900 124.900 122.456 2.444 17768
2759 1 6 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.383 0.057 17768
2760 1 6 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.207 0.793 17768
2761 1 6 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.694 0.606 17768
2762 1 6 . 1 1 73 73 VAL H H 70 9.610 9.610 8.513 1.097 17768
2763 1 6 . 1 1 74 74 TRP N N 71 129.500 129.500 126.008 3.492 17768
2764 1 6 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.607 -0.667 17768
2765 1 6 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.330 0.470 17768
2766 1 6 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.952 -2.952 17768
2767 1 6 . 1 1 74 74 TRP H H 71 8.790 8.790 8.750 0.040 17768
2768 1 6 . 1 1 75 75 GLY CA C 72 44.400 44.400 45.209 -0.809 17768
2769 1 6 . 1 1 76 76 GLY N N 73 105.500 105.500 105.676 -0.176 17768
2770 1 6 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.142 -0.342 17768
2771 1 6 . 1 1 76 76 GLY H H 73 8.710 8.710 8.407 0.303 17768
2772 1 6 . 1 1 77 77 THR N N 74 114.200 114.200 116.421 -2.221 17768
2773 1 6 . 1 1 77 77 THR HA H 74 4.460 4.460 4.521 -0.061 17768
2774 1 6 . 1 1 77 77 THR CA C 74 62.700 62.700 62.809 -0.109 17768
2775 1 6 . 1 1 77 77 THR CB C 74 70.000 70.000 69.619 0.381 17768
2776 1 6 . 1 1 77 77 THR H H 74 9.010 9.010 8.098 0.912 17768
2777 1 6 . 1 1 78 78 THR N N 75 110.800 110.800 114.913 -4.113 17768
2778 1 6 . 1 1 78 78 THR CA C 75 59.100 59.100 60.393 -1.293 17768
2779 1 6 . 1 1 78 78 THR H H 75 7.960 7.960 7.747 0.213 17768
2780 1 6 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.584 1.716 17768
2781 1 6 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.756 -0.156 17768
2782 1 6 . 1 1 80 80 ALA N N 77 120.500 120.500 121.061 -0.561 17768
2783 1 6 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.242 -0.222 17768
2784 1 6 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.352 1.048 17768
2785 1 6 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.118 0.582 17768
2786 1 6 . 1 1 80 80 ALA H H 77 8.290 8.290 8.191 0.099 17768
2787 1 6 . 1 1 81 81 GLU N N 78 118.800 118.800 120.157 -1.357 17768
2788 1 6 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.196 -0.156 17768
2789 1 6 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.893 0.807 17768
2790 1 6 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.192 1.308 17768
2791 1 6 . 1 1 81 81 GLU H H 78 7.930 7.930 7.907 0.023 17768
2792 1 6 . 1 1 82 82 ALA N N 79 119.700 119.700 120.816 -1.116 17768
2793 1 6 . 1 1 82 82 ALA HA H 79 3.880 3.880 3.975 -0.095 17768
2794 1 6 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.449 0.051 17768
2795 1 6 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.263 0.137 17768
2796 1 6 . 1 1 82 82 ALA H H 79 7.470 7.470 7.777 -0.307 17768
2797 1 6 . 1 1 83 83 GLN N N 80 120.700 120.700 116.706 3.994 17768
2798 1 6 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.071 -0.241 17768
2799 1 6 . 1 1 83 83 GLN CA C 80 59.200 59.200 57.858 1.342 17768
2800 1 6 . 1 1 83 83 GLN CB C 80 28.700 28.700 27.913 0.787 17768
2801 1 6 . 1 1 83 83 GLN H H 80 8.690 8.690 7.660 1.030 17768
2802 1 6 . 1 1 84 84 ASP N N 81 123.100 123.100 121.671 1.429 17768
2803 1 6 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.457 -0.087 17768
2804 1 6 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.553 0.947 17768
2805 1 6 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.864 -0.564 17768
2806 1 6 . 1 1 84 84 ASP H H 81 8.480 8.480 8.116 0.364 17768
2807 1 6 . 1 1 85 85 ILE N N 82 119.300 119.300 116.883 2.417 17768
2808 1 6 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.771 -0.231 17768
2809 1 6 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.186 1.514 17768
2810 1 6 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.432 1.068 17768
2811 1 6 . 1 1 85 85 ILE H H 82 8.340 8.340 8.626 -0.286 17768
2812 1 6 . 1 1 86 86 SER N N 83 114.800 114.800 116.148 -1.348 17768
2813 1 6 . 1 1 86 86 SER HA H 83 4.560 4.560 4.129 0.431 17768
2814 1 6 . 1 1 86 86 SER CA C 83 63.500 63.500 61.834 1.666 17768
2815 1 6 . 1 1 86 86 SER H H 83 7.880 7.880 7.942 -0.062 17768
2816 1 6 . 1 1 87 87 SER N N 84 117.400 117.400 117.508 -0.108 17768
2817 1 6 . 1 1 87 87 SER HA H 84 4.400 4.400 4.222 0.178 17768
2818 1 6 . 1 1 87 87 SER CA C 84 58.100 58.100 61.754 -3.654 17768
2819 1 6 . 1 1 87 87 SER H H 84 8.320 8.320 8.192 0.128 17768
2820 1 6 . 1 1 88 88 ARG N N 85 121.100 121.100 120.856 0.244 17768
2821 1 6 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.268 -0.178 17768
2822 1 6 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.682 0.018 17768
2823 1 6 . 1 1 88 88 ARG H H 85 7.780 7.780 7.946 -0.166 17768
2824 1 6 . 1 1 89 89 VAL N N 86 121.200 121.200 121.311 -0.111 17768
2825 1 6 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.687 -0.327 17768
2826 1 6 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.520 0.980 17768
2827 1 6 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.416 -0.416 17768
2828 1 6 . 1 1 89 89 VAL H H 86 8.190 8.190 8.443 -0.253 17768
2829 1 6 . 1 1 90 90 LEU N N 87 117.500 117.500 119.475 -1.975 17768
2830 1 6 . 1 1 90 90 LEU HA H 87 3.690 3.690 4.121 -0.431 17768
2831 1 6 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.122 0.178 17768
2832 1 6 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.026 0.274 17768
2833 1 6 . 1 1 90 90 LEU H H 87 7.330 7.330 8.756 -1.426 17768
2834 1 6 . 1 1 91 91 GLU N N 88 118.500 118.500 120.257 -1.757 17768
2835 1 6 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.977 -0.357 17768
2836 1 6 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.939 0.161 17768
2837 1 6 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.060 1.540 17768
2838 1 6 . 1 1 91 91 GLU H H 88 7.810 7.810 7.905 -0.095 17768
2839 1 6 . 1 1 92 92 ALA N N 89 121.800 121.800 121.094 0.706 17768
2840 1 6 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.953 -0.893 17768
2841 1 6 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.673 -0.273 17768
2842 1 6 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.838 1.362 17768
2843 1 6 . 1 1 92 92 ALA H H 89 7.820 7.820 7.720 0.100 17768
2844 1 6 . 1 1 93 93 LEU N N 90 113.600 113.600 118.918 -5.318 17768
2845 1 6 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.261 -0.241 17768
2846 1 6 . 1 1 93 93 LEU CA C 90 57.200 57.200 58.070 -0.870 17768
2847 1 6 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.095 1.605 17768
2848 1 6 . 1 1 93 93 LEU H H 90 7.570 7.570 8.058 -0.488 17768
2849 1 6 . 1 1 94 94 THR N N 91 102.400 102.400 111.062 -8.662 17768
2850 1 6 . 1 1 94 94 THR HA H 91 4.510 4.510 4.410 0.100 17768
2851 1 6 . 1 1 94 94 THR CA C 91 61.500 61.500 62.795 -1.295 17768
2852 1 6 . 1 1 94 94 THR CB C 91 71.300 71.300 68.556 2.744 17768
2853 1 6 . 1 1 94 94 THR H H 91 7.280 7.280 7.749 -0.469 17768
2854 1 6 . 1 1 95 95 TYR N N 92 123.600 123.600 124.262 -0.662 17768
2855 1 6 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.331 -0.001 17768
2856 1 6 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.780 -0.080 17768
2857 1 6 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.671 -2.071 17768
2858 1 6 . 1 1 95 95 TYR H H 92 7.900 7.900 7.970 -0.070 17768
2859 1 6 . 1 1 96 96 LYS N N 93 117.500 117.500 119.953 -2.453 17768
2860 1 6 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.508 0.042 17768
2861 1 6 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.924 0.776 17768
2862 1 6 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.599 0.901 17768
2863 1 6 . 1 1 96 96 LYS H H 93 7.000 7.000 7.362 -0.362 17768
2864 1 6 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.302 0.068 17768
2865 1 6 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.440 1.161 17768
2866 1 6 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.449 0.251 17768
2867 1 6 . 1 1 98 98 LEU N N 95 125.400 125.400 122.911 2.489 17768
2868 1 6 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.434 0.186 17768
2869 1 6 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.782 -0.982 17768
2870 1 6 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.129 2.471 17768
2871 1 6 . 1 1 98 98 LEU H H 95 8.380 8.380 8.560 -0.180 17768
2872 1 6 . 1 1 99 99 MET N N 96 123.100 123.100 123.344 -0.244 17768
2873 1 6 . 1 1 99 99 MET HA H 96 5.480 5.480 5.123 0.357 17768
2874 1 6 . 1 1 99 99 MET CA C 96 55.200 55.200 54.699 0.501 17768
2875 1 6 . 1 1 99 99 MET CB C 96 37.200 37.200 37.124 0.076 17768
2876 1 6 . 1 1 99 99 MET H H 96 8.480 8.480 8.115 0.365 17768
2877 1 6 . 1 1 100 100 PHE N N 97 122.900 122.900 125.016 -2.116 17768
2878 1 6 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.977 -0.587 17768
2879 1 6 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.553 2.747 17768
2880 1 6 . 1 1 100 100 PHE CB C 97 43.100 43.100 42.010 1.090 17768
2881 1 6 . 1 1 100 100 PHE H H 97 8.640 8.640 9.110 -0.470 17768
2882 1 6 . 1 1 101 101 GLU N N 98 125.300 125.300 126.231 -0.931 17768
2883 1 6 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.610 -0.180 17768
2884 1 6 . 1 1 101 101 GLU CA C 98 58.200 58.200 58.012 0.188 17768
2885 1 6 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.384 0.016 17768
2886 1 6 . 1 1 101 101 GLU H H 98 8.640 8.640 8.513 0.127 17768
2887 1 6 . 1 1 102 102 GLY N N 99 107.100 107.100 105.223 1.877 17768
2888 1 6 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.591 1.109 17768
2889 1 6 . 1 1 102 102 GLY H H 99 8.250 8.250 7.447 0.803 17768
2890 1 6 . 1 1 103 103 PHE N N 100 120.200 120.200 121.017 -0.817 17768
2891 1 6 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.619 0.111 17768
2892 1 6 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.096 1.804 17768
2893 1 6 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.060 1.940 17768
2894 1 6 . 1 1 103 103 PHE H H 100 8.310 8.310 8.044 0.266 17768
2895 1 6 . 1 1 104 104 THR N N 101 116.100 116.100 119.638 -3.538 17768
2896 1 6 . 1 1 104 104 THR HA H 101 4.970 4.970 4.482 0.488 17768
2897 1 6 . 1 1 104 104 THR CA C 101 61.900 61.900 61.533 0.367 17768
2898 1 6 . 1 1 104 104 THR CB C 101 71.400 71.400 70.478 0.922 17768
2899 1 6 . 1 1 104 104 THR H H 101 8.250 8.250 8.423 -0.173 17768
2900 1 6 . 1 1 105 105 PHE N N 102 123.200 123.200 125.449 -2.249 17768
2901 1 6 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.111 0.499 17768
2902 1 6 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.286 0.314 17768
2903 1 6 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.018 1.582 17768
2904 1 6 . 1 1 105 105 PHE H H 102 8.840 8.840 8.062 0.778 17768
2905 1 6 . 1 1 106 106 VAL N N 103 120.000 120.000 122.544 -2.544 17768
2906 1 6 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.447 0.053 17768
2907 1 6 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.695 0.505 17768
2908 1 6 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.859 0.341 17768
2909 1 6 . 1 1 106 106 VAL H H 103 8.460 8.460 9.187 -0.727 17768
2910 1 6 . 1 1 107 107 ALA N N 104 130.400 130.400 130.922 -0.522 17768
2911 1 6 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.700 -0.860 17768
2912 1 6 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.544 0.856 17768
2913 1 6 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.905 -2.105 17768
2914 1 6 . 1 1 107 107 ALA H H 104 9.210 9.210 8.523 0.687 17768
2915 1 6 . 1 1 108 108 LYS N N 105 127.100 127.100 124.077 3.023 17768
2916 1 6 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.645 -0.415 17768
2917 1 6 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.574 0.626 17768
2918 1 6 . 1 1 108 108 LYS H H 105 8.670 8.670 8.938 -0.269 17768
2919 1 6 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.561 -0.061 17768
2920 1 6 . 1 1 115 115 VAL CA C 112 62.200 62.200 60.678 1.522 17768
2921 1 6 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.660 -0.160 17768
2922 1 6 . 1 1 116 116 ILE N N 113 125.200 125.200 122.667 2.533 17768
2923 1 6 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.519 0.001 17768
2924 1 6 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.013 -0.112 17768
2925 1 6 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.226 2.474 17768
2926 1 6 . 1 1 116 116 ILE H H 113 8.760 8.760 8.180 0.580 17768
2927 1 6 . 1 1 117 117 THR N N 114 119.000 119.000 116.344 2.656 17768
2928 1 6 . 1 1 117 117 THR HA H 114 4.560 4.560 4.430 0.130 17768
2929 1 6 . 1 1 117 117 THR CA C 114 62.300 62.300 62.026 0.274 17768
2930 1 6 . 1 1 117 117 THR CB C 114 69.400 69.400 69.823 -0.423 17768
2931 1 6 . 1 1 117 117 THR H H 114 8.380 8.380 8.186 0.194 17768
2932 1 6 . 1 1 118 118 ASP N N 115 126.200 126.200 126.179 0.021 17768
2933 1 6 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.817 -0.167 17768
2934 1 6 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.205 1.295 17768
2935 1 6 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.245 1.056 17768
2936 1 6 . 1 1 118 118 ASP H H 115 8.920 8.920 8.370 0.550 17768
2937 1 6 . 1 1 119 119 THR HA H 116 3.990 3.990 4.062 -0.072 17768
2938 1 6 . 1 1 119 119 THR CA C 116 64.800 64.800 64.280 0.520 17768
2939 1 6 . 1 1 119 119 THR CB C 116 69.200 69.200 68.817 0.383 17768
2940 1 6 . 1 1 120 120 ASP N N 117 120.500 120.500 120.716 -0.216 17768
2941 1 6 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.424 0.376 17768
2942 1 6 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.842 -1.142 17768
2943 1 6 . 1 1 120 120 ASP H H 117 8.360 8.360 8.192 0.168 17768
2944 1 6 . 1 1 121 121 GLY N N 118 108.600 108.600 109.334 -0.734 17768
2945 1 6 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.213 0.587 17768
2946 1 6 . 1 1 121 121 GLY H H 118 8.310 8.310 7.818 0.492 17768
2947 1 6 . 1 1 122 122 VAL N N 119 118.600 118.600 119.278 -0.678 17768
2948 1 6 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.314 -0.114 17768
2949 1 6 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.902 2.298 17768
2950 1 6 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.309 2.691 17768
2951 1 6 . 1 1 122 122 VAL H H 119 8.500 8.500 7.776 0.724 17768
2952 1 6 . 1 1 123 123 THR N N 120 123.300 123.300 122.383 0.917 17768
2953 1 6 . 1 1 123 123 THR HA H 120 4.030 4.030 4.151 -0.121 17768
2954 1 6 . 1 1 123 123 THR CA C 120 64.800 64.800 63.667 1.133 17768
2955 1 6 . 1 1 123 123 THR CB C 120 68.400 68.400 69.334 -0.934 17768
2956 1 6 . 1 1 123 123 THR H H 120 9.700 9.700 8.613 1.087 17768
2957 1 6 . 1 1 124 124 LYS N N 121 125.500 125.500 128.446 -2.946 17768
2958 1 6 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.580 -0.030 17768
2959 1 6 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.258 -0.958 17768
2960 1 6 . 1 1 124 124 LYS H H 121 8.650 8.650 8.390 0.260 17768
2961 1 6 . 1 1 125 125 HIS N N 122 121.400 121.400 123.707 -2.307 17768
2962 1 6 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.657 -0.577 17768
2963 1 6 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.365 -1.765 17768
2964 1 6 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.971 -1.371 17768
2965 1 6 . 1 1 125 125 HIS H H 122 8.580 8.580 8.388 0.192 17768
2966 1 6 . 1 1 126 126 GLY N N 123 114.000 114.000 109.017 4.983 17768
2967 1 6 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.344 -0.144 17768
2968 1 6 . 1 1 126 126 GLY H H 123 10.010 10.010 8.724 1.286 17768
2969 1 6 . 1 1 127 127 ILE N N 124 124.000 124.000 124.989 -0.989 17768
2970 1 6 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.705 -0.225 17768
2971 1 6 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.032 1.668 17768
2972 1 6 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.701 0.399 17768
2973 1 6 . 1 1 127 127 ILE H H 124 8.740 8.740 8.303 0.437 17768
2974 1 6 . 1 1 128 128 ILE N N 125 126.200 126.200 128.640 -2.440 17768
2975 1 6 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.231 0.549 17768
2976 1 6 . 1 1 128 128 ILE CA C 125 60.100 60.100 59.904 0.196 17768
2977 1 6 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.247 1.553 17768
2978 1 6 . 1 1 128 128 ILE H H 125 8.640 8.640 8.947 -0.307 17768
2979 1 6 . 1 1 129 129 LYS N N 126 126.300 126.300 126.826 -0.526 17768
2980 1 6 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.372 1.038 17768
2981 1 6 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.126 0.474 17768
2982 1 6 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.004 2.096 17768
2983 1 6 . 1 1 129 129 LYS H H 126 8.990 8.990 8.231 0.759 17768
2984 1 6 . 1 1 130 130 VAL N N 127 126.300 126.300 120.513 5.787 17768
2985 1 6 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.153 0.407 17768
2986 1 6 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.470 0.630 17768
2987 1 6 . 1 1 130 130 VAL CB C 127 36.000 36.000 36.153 -0.153 17768
2988 1 6 . 1 1 130 130 VAL H H 127 8.880 8.880 8.624 0.256 17768
2989 1 6 . 1 1 131 131 ARG N N 128 126.600 126.600 126.195 0.405 17768
2990 1 6 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.180 -0.220 17768
2991 1 6 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.801 1.799 17768
2992 1 6 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.707 -1.107 17768
2993 1 6 . 1 1 131 131 ARG H H 128 8.720 8.720 8.162 0.558 17768
2994 1 6 . 1 1 132 132 PHE N N 129 125.700 125.700 123.051 2.649 17768
2995 1 6 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.617 -0.007 17768
2996 1 6 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.982 0.618 17768
2997 1 6 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.856 -0.456 17768
2998 1 6 . 1 1 132 132 PHE H H 129 9.720 9.720 9.110 0.610 17768
2999 1 6 . 1 1 133 133 THR N N 130 114.700 114.700 116.988 -2.288 17768
3000 1 6 . 1 1 133 133 THR HA H 130 5.070 5.070 5.020 0.050 17768
3001 1 6 . 1 1 133 133 THR CA C 130 61.800 61.800 61.742 0.058 17768
3002 1 6 . 1 1 133 133 THR CB C 130 71.100 71.100 72.490 -1.391 17768
3003 1 6 . 1 1 133 133 THR H H 130 9.100 9.100 9.240 -0.140 17768
3004 1 6 . 1 1 134 134 ILE N N 131 123.000 123.000 125.498 -2.498 17768
3005 1 6 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.126 2.274 17768
3006 1 6 . 1 1 134 134 ILE H H 131 8.400 8.400 8.377 0.023 17768
3007 1 7 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.951 -0.711 17768
3008 1 7 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.741 -0.841 17768
3009 1 7 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.358 0.442 17768
3010 1 7 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.688 -1.988 17768
3011 1 7 . 1 1 9 9 ALA N N 6 122.500 122.500 120.360 2.140 17768
3012 1 7 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.942 -0.962 17768
3013 1 7 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.743 -0.043 17768
3014 1 7 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.745 1.055 17768
3015 1 7 . 1 1 9 9 ALA H H 6 8.150 8.150 8.301 -0.151 17768
3016 1 7 . 1 1 10 10 SER N N 7 112.300 112.300 114.899 -2.599 17768
3017 1 7 . 1 1 10 10 SER HA H 7 3.660 3.660 4.198 -0.538 17768
3018 1 7 . 1 1 10 10 SER CA C 7 62.300 62.300 61.158 1.142 17768
3019 1 7 . 1 1 10 10 SER H H 7 7.910 7.910 7.883 0.027 17768
3020 1 7 . 1 1 11 11 ARG N N 8 122.300 122.300 122.609 -0.309 17768
3021 1 7 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.084 -0.134 17768
3022 1 7 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.597 1.003 17768
3023 1 7 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.772 0.028 17768
3024 1 7 . 1 1 11 11 ARG H H 8 7.390 7.390 7.622 -0.232 17768
3025 1 7 . 1 1 12 12 ALA N N 9 121.500 121.500 122.512 -1.012 17768
3026 1 7 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.732 0.138 17768
3027 1 7 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.378 0.622 17768
3028 1 7 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.009 2.191 17768
3029 1 7 . 1 1 12 12 ALA H H 9 7.720 7.720 7.822 -0.102 17768
3030 1 7 . 1 1 13 13 LEU N N 10 119.000 119.000 117.497 1.503 17768
3031 1 7 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.023 -1.113 17768
3032 1 7 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.419 0.181 17768
3033 1 7 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.316 -0.315 17768
3034 1 7 . 1 1 13 13 LEU H H 10 7.940 7.940 7.283 0.657 17768
3035 1 7 . 1 1 14 14 GLN N N 11 119.300 119.300 118.986 0.314 17768
3036 1 7 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.966 -0.616 17768
3037 1 7 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.946 1.754 17768
3038 1 7 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.594 -0.594 17768
3039 1 7 . 1 1 14 14 GLN H H 11 7.390 7.390 8.124 -0.734 17768
3040 1 7 . 1 1 15 15 LYS N N 12 116.200 116.200 119.181 -2.981 17768
3041 1 7 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.126 -0.506 17768
3042 1 7 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.747 -0.447 17768
3043 1 7 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.252 0.548 17768
3044 1 7 . 1 1 15 15 LYS H H 12 7.470 7.470 7.512 -0.042 17768
3045 1 7 . 1 1 16 16 ALA N N 13 121.700 121.700 122.461 -0.761 17768
3046 1 7 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.635 -0.465 17768
3047 1 7 . 1 1 16 16 ALA CA C 13 55.400 55.400 54.679 0.721 17768
3048 1 7 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.423 1.177 17768
3049 1 7 . 1 1 16 16 ALA H H 13 8.560 8.560 8.018 0.542 17768
3050 1 7 . 1 1 17 17 THR N N 14 108.700 108.700 115.873 -7.173 17768
3051 1 7 . 1 1 17 17 THR HA H 14 3.650 3.650 4.097 -0.447 17768
3052 1 7 . 1 1 17 17 THR CA C 14 66.500 66.500 66.870 -0.369 17768
3053 1 7 . 1 1 17 17 THR CB C 14 69.300 69.300 68.619 0.681 17768
3054 1 7 . 1 1 17 17 THR H H 14 8.210 8.210 8.171 0.039 17768
3055 1 7 . 1 1 18 18 VAL N N 15 122.600 122.600 121.829 0.771 17768
3056 1 7 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.698 -0.298 17768
3057 1 7 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.284 2.116 17768
3058 1 7 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.703 -0.203 17768
3059 1 7 . 1 1 18 18 VAL H H 15 7.570 7.570 8.189 -0.619 17768
3060 1 7 . 1 1 19 19 GLU N N 16 117.400 117.400 119.127 -1.727 17768
3061 1 7 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.197 -0.027 17768
3062 1 7 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.229 0.471 17768
3063 1 7 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.328 -0.129 17768
3064 1 7 . 1 1 19 19 GLU H H 16 7.560 7.560 8.053 -0.493 17768
3065 1 7 . 1 1 20 20 ASN N N 17 120.900 120.900 119.655 1.245 17768
3066 1 7 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.735 -0.505 17768
3067 1 7 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.175 1.025 17768
3068 1 7 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.515 -0.615 17768
3069 1 7 . 1 1 20 20 ASN H H 17 8.150 8.150 8.183 -0.033 17768
3070 1 7 . 1 1 21 21 LEU N N 18 119.500 119.500 120.946 -1.446 17768
3071 1 7 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.168 -0.248 17768
3072 1 7 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.495 2.605 17768
3073 1 7 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.489 1.111 17768
3074 1 7 . 1 1 21 21 LEU H H 18 8.500 8.500 8.290 0.210 17768
3075 1 7 . 1 1 22 22 GLU N N 19 112.100 112.100 118.184 -6.084 17768
3076 1 7 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.088 0.512 17768
3077 1 7 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.891 -0.191 17768
3078 1 7 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.165 0.035 17768
3079 1 7 . 1 1 22 22 GLU H H 19 8.450 8.450 7.957 0.493 17768
3080 1 7 . 1 1 23 23 SER N N 20 110.300 110.300 113.936 -3.636 17768
3081 1 7 . 1 1 23 23 SER HA H 20 4.490 4.490 4.354 0.136 17768
3082 1 7 . 1 1 23 23 SER CA C 20 58.600 58.600 60.042 -1.442 17768
3083 1 7 . 1 1 23 23 SER H H 20 7.570 7.570 7.667 -0.097 17768
3084 1 7 . 1 1 24 24 TYR N N 21 125.300 125.300 124.598 0.702 17768
3085 1 7 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.886 0.694 17768
3086 1 7 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.794 1.906 17768
3087 1 7 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.249 0.151 17768
3088 1 7 . 1 1 24 24 TYR H H 21 7.560 7.560 7.750 -0.190 17768
3089 1 7 . 1 1 25 25 GLN N N 22 130.000 130.000 127.247 2.753 17768
3090 1 7 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.987 -0.137 17768
3091 1 7 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.347 1.452 17768
3092 1 7 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.056 0.243 17768
3093 1 7 . 1 1 25 25 GLN H H 22 8.710 8.710 7.933 0.777 17768
3094 1 7 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.283 -0.273 17768
3095 1 7 . 1 1 27 27 LEU N N 24 112.400 112.400 117.449 -5.049 17768
3096 1 7 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.150 0.060 17768
3097 1 7 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.232 0.068 17768
3098 1 7 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.167 0.933 17768
3099 1 7 . 1 1 27 27 LEU H H 24 6.720 6.720 7.401 -0.681 17768
3100 1 7 . 1 1 28 28 MET N N 25 116.900 116.900 115.048 1.852 17768
3101 1 7 . 1 1 28 28 MET HA H 25 4.510 4.510 4.119 0.392 17768
3102 1 7 . 1 1 28 28 MET CA C 25 55.900 55.900 58.507 -2.607 17768
3103 1 7 . 1 1 28 28 MET CB C 25 29.100 29.100 32.616 -3.516 17768
3104 1 7 . 1 1 28 28 MET H H 25 7.620 7.620 7.366 0.254 17768
3105 1 7 . 1 1 29 29 GLU N N 26 116.100 116.100 116.188 -0.088 17768
3106 1 7 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.259 -0.119 17768
3107 1 7 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.408 0.992 17768
3108 1 7 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.906 0.394 17768
3109 1 7 . 1 1 29 29 GLU H H 26 8.060 8.060 7.977 0.083 17768
3110 1 7 . 1 1 30 30 MET N N 27 115.100 115.100 116.996 -1.896 17768
3111 1 7 . 1 1 30 30 MET HA H 27 4.450 4.450 4.620 -0.170 17768
3112 1 7 . 1 1 30 30 MET CA C 27 57.000 57.000 55.424 1.576 17768
3113 1 7 . 1 1 30 30 MET CB C 27 36.500 36.500 34.741 1.759 17768
3114 1 7 . 1 1 30 30 MET H H 27 7.920 7.920 7.552 0.368 17768
3115 1 7 . 1 1 31 31 VAL N N 28 107.100 107.100 118.486 -11.386 17768
3116 1 7 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.389 0.321 17768
3117 1 7 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.394 -1.794 17768
3118 1 7 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.562 1.938 17768
3119 1 7 . 1 1 31 31 VAL H H 28 7.180 7.180 8.056 -0.875 17768
3120 1 7 . 1 1 32 32 ASN N N 29 115.300 115.300 123.756 -8.456 17768
3121 1 7 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.856 -0.156 17768
3122 1 7 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.847 1.952 17768
3123 1 7 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.814 0.586 17768
3124 1 7 . 1 1 32 32 ASN H H 29 8.670 8.670 8.572 0.098 17768
3125 1 7 . 1 1 33 33 GLN N N 30 108.900 108.900 118.509 -9.609 17768
3126 1 7 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.608 0.012 17768
3127 1 7 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.016 0.584 17768
3128 1 7 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.898 1.502 17768
3129 1 7 . 1 1 33 33 GLN H H 30 7.190 7.190 8.412 -1.222 17768
3130 1 7 . 1 1 34 34 VAL N N 31 122.000 122.000 121.088 0.912 17768
3131 1 7 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.938 -0.028 17768
3132 1 7 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.215 0.385 17768
3133 1 7 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.548 1.252 17768
3134 1 7 . 1 1 34 34 VAL H H 31 8.860 8.860 7.702 1.158 17768
3135 1 7 . 1 1 35 35 THR N N 32 119.200 119.200 123.701 -4.501 17768
3136 1 7 . 1 1 35 35 THR HA H 32 4.900 4.900 4.741 0.159 17768
3137 1 7 . 1 1 35 35 THR CA C 32 59.100 59.100 60.570 -1.470 17768
3138 1 7 . 1 1 35 35 THR CB C 32 70.100 70.100 70.898 -0.798 17768
3139 1 7 . 1 1 35 35 THR H H 32 8.910 8.910 9.023 -0.113 17768
3140 1 7 . 1 1 36 36 GLU H H 33 8.200 8.200 8.792 -0.592 17768
3141 1 7 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.601 -0.481 17768
3142 1 7 . 1 1 39 39 GLY N N 36 111.100 111.100 107.801 3.299 17768
3143 1 7 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.644 -0.944 17768
3144 1 7 . 1 1 39 39 GLY H H 36 8.570 8.570 8.679 -0.109 17768
3145 1 7 . 1 1 40 40 LYS HA H 37 3.820 3.820 3.886 -0.066 17768
3146 1 7 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.363 0.437 17768
3147 1 7 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.092 0.508 17768
3148 1 7 . 1 1 40 40 LYS H H 37 7.070 7.070 8.393 -1.323 17768
3149 1 7 . 1 1 41 41 ASP N N 38 116.100 116.100 116.445 -0.345 17768
3150 1 7 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.771 -0.201 17768
3151 1 7 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.931 0.569 17768
3152 1 7 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.899 -0.099 17768
3153 1 7 . 1 1 41 41 ASP H H 38 8.250 8.250 8.003 0.247 17768
3154 1 7 . 1 1 42 42 ASP N N 39 123.300 123.300 120.519 2.781 17768
3155 1 7 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.866 -0.416 17768
3156 1 7 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.071 1.429 17768
3157 1 7 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.807 -2.507 17768
3158 1 7 . 1 1 42 42 ASP H H 39 7.070 7.070 7.510 -0.440 17768
3159 1 7 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.521 -0.221 17768
3160 1 7 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.132 -0.632 17768
3161 1 7 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.457 -0.357 17768
3162 1 7 . 1 1 44 44 TYR N N 41 122.700 122.700 119.997 2.703 17768
3163 1 7 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.995 -0.395 17768
3164 1 7 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.813 -0.713 17768
3165 1 7 . 1 1 44 44 TYR CB C 41 37.500 37.500 39.411 -1.911 17768
3166 1 7 . 1 1 44 44 TYR H H 41 8.200 8.200 8.646 -0.446 17768
3167 1 7 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.005 0.595 17768
3168 1 7 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.431 0.069 17768
3169 1 7 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.294 2.806 17768
3170 1 7 . 1 1 46 46 TYR N N 43 113.000 113.000 116.397 -3.397 17768
3171 1 7 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.788 0.372 17768
3172 1 7 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.320 0.380 17768
3173 1 7 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.272 0.628 17768
3174 1 7 . 1 1 46 46 TYR H H 43 8.640 8.640 8.813 -0.173 17768
3175 1 7 . 1 1 47 47 VAL N N 44 118.300 118.300 119.925 -1.625 17768
3176 1 7 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.878 0.622 17768
3177 1 7 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.967 -0.167 17768
3178 1 7 . 1 1 47 47 VAL CB C 44 35.300 35.300 36.144 -0.844 17768
3179 1 7 . 1 1 47 47 VAL H H 44 8.210 8.210 8.225 -0.015 17768
3180 1 7 . 1 1 48 48 VAL N N 45 127.100 127.100 122.006 5.094 17768
3181 1 7 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.508 0.002 17768
3182 1 7 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.283 0.417 17768
3183 1 7 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.313 -0.013 17768
3184 1 7 . 1 1 48 48 VAL H H 45 9.960 9.960 9.069 0.891 17768
3185 1 7 . 1 1 49 49 ILE N N 46 126.500 126.500 124.117 2.383 17768
3186 1 7 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.824 -0.834 17768
3187 1 7 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.301 1.599 17768
3188 1 7 . 1 1 49 49 ILE CB C 46 38.200 38.200 36.501 1.699 17768
3189 1 7 . 1 1 49 49 ILE H H 46 8.160 8.160 7.955 0.205 17768
3190 1 7 . 1 1 50 50 GLY N N 47 116.200 116.200 114.977 1.223 17768
3191 1 7 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.971 -1.071 17768
3192 1 7 . 1 1 50 50 GLY H H 47 8.100 8.100 8.635 -0.535 17768
3193 1 7 . 1 1 51 51 ASP N N 48 118.000 118.000 118.369 -0.369 17768
3194 1 7 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.105 -0.615 17768
3195 1 7 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.605 2.295 17768
3196 1 7 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.241 -1.741 17768
3197 1 7 . 1 1 51 51 ASP H H 48 8.150 8.150 8.272 -0.122 17768
3198 1 7 . 1 1 52 52 GLN N N 49 118.000 118.000 121.225 -3.225 17768
3199 1 7 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.473 0.437 17768
3200 1 7 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.868 -0.868 17768
3201 1 7 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.115 0.985 17768
3202 1 7 . 1 1 52 52 GLN H H 49 8.400 8.400 8.388 0.012 17768
3203 1 7 . 1 1 53 53 SER N N 50 115.900 115.900 122.060 -6.160 17768
3204 1 7 . 1 1 53 53 SER CA C 50 58.200 58.200 59.000 -0.800 17768
3205 1 7 . 1 1 53 53 SER CB C 50 64.700 64.700 61.932 2.768 17768
3206 1 7 . 1 1 53 53 SER H H 50 8.770 8.770 8.903 -0.133 17768
3207 1 7 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.551 -0.251 17768
3208 1 7 . 1 1 57 57 PHE N N 54 126.200 126.200 124.716 1.484 17768
3209 1 7 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.601 0.259 17768
3210 1 7 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.889 -4.789 17768
3211 1 7 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.647 -0.247 17768
3212 1 7 . 1 1 57 57 PHE H H 54 8.620 8.620 8.392 0.228 17768
3213 1 7 . 1 1 59 59 THR HA H 56 4.910 4.910 4.508 0.402 17768
3214 1 7 . 1 1 60 60 LYS N N 57 123.900 123.900 123.450 0.450 17768
3215 1 7 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.061 0.609 17768
3216 1 7 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.870 0.030 17768
3217 1 7 . 1 1 60 60 LYS CB C 57 31.400 31.400 30.847 0.553 17768
3218 1 7 . 1 1 60 60 LYS H H 57 8.760 8.760 8.852 -0.092 17768
3219 1 7 . 1 1 61 61 SER N N 58 113.900 113.900 115.798 -1.898 17768
3220 1 7 . 1 1 61 61 SER HA H 58 4.690 4.690 4.383 0.307 17768
3221 1 7 . 1 1 61 61 SER CA C 58 55.000 55.000 58.420 -3.420 17768
3222 1 7 . 1 1 61 61 SER CB C 58 63.000 63.000 63.893 -0.893 17768
3223 1 7 . 1 1 61 61 SER H H 58 8.400 8.400 8.348 0.052 17768
3224 1 7 . 1 1 66 66 ASN N N 63 117.100 117.100 123.101 -6.001 17768
3225 1 7 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.556 0.104 17768
3226 1 7 . 1 1 66 66 ASN CA C 63 53.100 53.100 51.973 1.127 17768
3227 1 7 . 1 1 66 66 ASN CB C 63 41.400 41.400 42.269 -0.869 17768
3228 1 7 . 1 1 66 66 ASN H H 63 8.260 8.260 8.563 -0.303 17768
3229 1 7 . 1 1 67 67 ILE N N 64 120.300 120.300 119.412 0.888 17768
3230 1 7 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.585 0.035 17768
3231 1 7 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.182 2.118 17768
3232 1 7 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.856 2.344 17768
3233 1 7 . 1 1 67 67 ILE H H 64 8.910 8.910 8.456 0.454 17768
3234 1 7 . 1 1 68 68 THR N N 65 124.100 124.100 120.881 3.219 17768
3235 1 7 . 1 1 68 68 THR HA H 65 5.490 5.490 4.633 0.857 17768
3236 1 7 . 1 1 68 68 THR CA C 65 61.900 61.900 61.126 0.774 17768
3237 1 7 . 1 1 68 68 THR CB C 65 70.200 70.200 69.967 0.233 17768
3238 1 7 . 1 1 68 68 THR H H 65 8.940 8.940 8.197 0.743 17768
3239 1 7 . 1 1 69 69 MET N N 66 126.700 126.700 129.872 -3.172 17768
3240 1 7 . 1 1 69 69 MET HA H 66 5.050 5.050 4.700 0.350 17768
3241 1 7 . 1 1 69 69 MET CA C 66 55.100 55.100 54.698 0.402 17768
3242 1 7 . 1 1 69 69 MET CB C 66 38.100 38.100 36.638 1.462 17768
3243 1 7 . 1 1 69 69 MET H H 66 9.200 9.200 8.901 0.299 17768
3244 1 7 . 1 1 70 70 ASP N N 67 123.500 123.500 125.674 -2.174 17768
3245 1 7 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.523 -0.113 17768
3246 1 7 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.632 0.368 17768
3247 1 7 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.392 -0.892 17768
3248 1 7 . 1 1 70 70 ASP H H 67 7.720 7.720 8.086 -0.366 17768
3249 1 7 . 1 1 71 71 PHE N N 68 116.900 116.900 119.799 -2.899 17768
3250 1 7 . 1 1 71 71 PHE HA H 68 4.830 4.830 4.927 -0.097 17768
3251 1 7 . 1 1 71 71 PHE CA C 68 57.000 57.000 56.347 0.653 17768
3252 1 7 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.342 1.658 17768
3253 1 7 . 1 1 71 71 PHE H H 68 9.130 9.130 9.027 0.103 17768
3254 1 7 . 1 1 72 72 HIS N N 69 120.400 120.400 121.729 -1.329 17768
3255 1 7 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.889 0.541 17768
3256 1 7 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.444 0.756 17768
3257 1 7 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.306 3.794 17768
3258 1 7 . 1 1 72 72 HIS H H 69 9.350 9.350 9.352 -0.002 17768
3259 1 7 . 1 1 73 73 VAL N N 70 124.900 124.900 121.790 3.110 17768
3260 1 7 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.416 0.024 17768
3261 1 7 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.896 1.104 17768
3262 1 7 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.777 0.523 17768
3263 1 7 . 1 1 73 73 VAL H H 70 9.610 9.610 8.571 1.039 17768
3264 1 7 . 1 1 74 74 TRP N N 71 129.500 129.500 125.980 3.520 17768
3265 1 7 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.306 -0.366 17768
3266 1 7 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.574 0.226 17768
3267 1 7 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.973 -1.973 17768
3268 1 7 . 1 1 74 74 TRP H H 71 8.790 8.790 8.993 -0.203 17768
3269 1 7 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.971 -0.571 17768
3270 1 7 . 1 1 76 76 GLY N N 73 105.500 105.500 111.049 -5.549 17768
3271 1 7 . 1 1 76 76 GLY CA C 73 44.800 44.800 44.777 0.023 17768
3272 1 7 . 1 1 76 76 GLY H H 73 8.710 8.710 8.693 0.017 17768
3273 1 7 . 1 1 77 77 THR N N 74 114.200 114.200 114.081 0.119 17768
3274 1 7 . 1 1 77 77 THR HA H 74 4.460 4.460 4.585 -0.125 17768
3275 1 7 . 1 1 77 77 THR CA C 74 62.700 62.700 61.737 0.963 17768
3276 1 7 . 1 1 77 77 THR CB C 74 70.000 70.000 69.574 0.426 17768
3277 1 7 . 1 1 77 77 THR H H 74 9.010 9.010 7.653 1.357 17768
3278 1 7 . 1 1 78 78 THR N N 75 110.800 110.800 117.422 -6.622 17768
3279 1 7 . 1 1 78 78 THR CA C 75 59.100 59.100 60.450 -1.350 17768
3280 1 7 . 1 1 78 78 THR H H 75 7.960 7.960 7.794 0.166 17768
3281 1 7 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.198 1.102 17768
3282 1 7 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.163 -0.563 17768
3283 1 7 . 1 1 80 80 ALA N N 77 120.500 120.500 118.608 1.892 17768
3284 1 7 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.144 -0.124 17768
3285 1 7 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.708 0.692 17768
3286 1 7 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.368 0.332 17768
3287 1 7 . 1 1 80 80 ALA H H 77 8.290 8.290 8.142 0.148 17768
3288 1 7 . 1 1 81 81 GLU N N 78 118.800 118.800 119.213 -0.413 17768
3289 1 7 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.077 -0.037 17768
3290 1 7 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.875 0.825 17768
3291 1 7 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.144 1.356 17768
3292 1 7 . 1 1 81 81 GLU H H 78 7.930 7.930 7.905 0.025 17768
3293 1 7 . 1 1 82 82 ALA N N 79 119.700 119.700 120.887 -1.187 17768
3294 1 7 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.025 -0.145 17768
3295 1 7 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.735 -0.235 17768
3296 1 7 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.099 0.301 17768
3297 1 7 . 1 1 82 82 ALA H H 79 7.470 7.470 7.619 -0.149 17768
3298 1 7 . 1 1 83 83 GLN N N 80 120.700 120.700 117.663 3.037 17768
3299 1 7 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.121 -0.291 17768
3300 1 7 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.266 0.934 17768
3301 1 7 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.260 0.440 17768
3302 1 7 . 1 1 83 83 GLN H H 80 8.690 8.690 8.113 0.577 17768
3303 1 7 . 1 1 84 84 ASP N N 81 123.100 123.100 121.608 1.492 17768
3304 1 7 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.411 -0.041 17768
3305 1 7 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.609 0.891 17768
3306 1 7 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.500 -0.200 17768
3307 1 7 . 1 1 84 84 ASP H H 81 8.480 8.480 8.149 0.331 17768
3308 1 7 . 1 1 85 85 ILE N N 82 119.300 119.300 116.857 2.443 17768
3309 1 7 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.777 -0.237 17768
3310 1 7 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.143 1.557 17768
3311 1 7 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.457 1.043 17768
3312 1 7 . 1 1 85 85 ILE H H 82 8.340 8.340 8.288 0.052 17768
3313 1 7 . 1 1 86 86 SER N N 83 114.800 114.800 117.114 -2.314 17768
3314 1 7 . 1 1 86 86 SER HA H 83 4.560 4.560 4.074 0.486 17768
3315 1 7 . 1 1 86 86 SER CA C 83 63.500 63.500 62.196 1.304 17768
3316 1 7 . 1 1 86 86 SER H H 83 7.880 7.880 7.873 0.007 17768
3317 1 7 . 1 1 87 87 SER N N 84 117.400 117.400 118.120 -0.720 17768
3318 1 7 . 1 1 87 87 SER HA H 84 4.400 4.400 4.171 0.229 17768
3319 1 7 . 1 1 87 87 SER CA C 84 58.100 58.100 62.129 -4.029 17768
3320 1 7 . 1 1 87 87 SER H H 84 8.320 8.320 8.301 0.019 17768
3321 1 7 . 1 1 88 88 ARG N N 85 121.100 121.100 122.611 -1.511 17768
3322 1 7 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.226 -0.136 17768
3323 1 7 . 1 1 88 88 ARG CA C 85 58.700 58.700 59.162 -0.462 17768
3324 1 7 . 1 1 88 88 ARG H H 85 7.780 7.780 8.047 -0.267 17768
3325 1 7 . 1 1 89 89 VAL N N 86 121.200 121.200 120.809 0.391 17768
3326 1 7 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.655 -0.295 17768
3327 1 7 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.286 1.214 17768
3328 1 7 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.807 -0.807 17768
3329 1 7 . 1 1 89 89 VAL H H 86 8.190 8.190 8.112 0.078 17768
3330 1 7 . 1 1 90 90 LEU N N 87 117.500 117.500 121.114 -3.614 17768
3331 1 7 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.829 -0.139 17768
3332 1 7 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.158 0.142 17768
3333 1 7 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.089 0.211 17768
3334 1 7 . 1 1 90 90 LEU H H 87 7.330 7.330 7.756 -0.426 17768
3335 1 7 . 1 1 91 91 GLU N N 88 118.500 118.500 119.566 -1.066 17768
3336 1 7 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.968 -0.348 17768
3337 1 7 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.886 0.214 17768
3338 1 7 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.676 0.924 17768
3339 1 7 . 1 1 91 91 GLU H H 88 7.810 7.810 8.123 -0.313 17768
3340 1 7 . 1 1 92 92 ALA N N 89 121.800 121.800 121.832 -0.032 17768
3341 1 7 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.288 -0.228 17768
3342 1 7 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.702 -0.302 17768
3343 1 7 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.516 1.684 17768
3344 1 7 . 1 1 92 92 ALA H H 89 7.820 7.820 7.887 -0.067 17768
3345 1 7 . 1 1 93 93 LEU N N 90 113.600 113.600 118.063 -4.463 17768
3346 1 7 . 1 1 93 93 LEU HA H 90 4.020 4.020 3.894 0.126 17768
3347 1 7 . 1 1 93 93 LEU CA C 90 57.200 57.200 58.061 -0.861 17768
3348 1 7 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.027 1.673 17768
3349 1 7 . 1 1 93 93 LEU H H 90 7.570 7.570 7.900 -0.330 17768
3350 1 7 . 1 1 94 94 THR N N 91 102.400 102.400 110.085 -7.685 17768
3351 1 7 . 1 1 94 94 THR HA H 91 4.510 4.510 4.310 0.200 17768
3352 1 7 . 1 1 94 94 THR CA C 91 61.500 61.500 62.187 -0.687 17768
3353 1 7 . 1 1 94 94 THR CB C 91 71.300 71.300 68.727 2.574 17768
3354 1 7 . 1 1 94 94 THR H H 91 7.280 7.280 7.388 -0.108 17768
3355 1 7 . 1 1 95 95 TYR N N 92 123.600 123.600 123.006 0.594 17768
3356 1 7 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.419 -0.089 17768
3357 1 7 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.282 0.418 17768
3358 1 7 . 1 1 95 95 TYR CB C 92 37.600 37.600 38.940 -1.340 17768
3359 1 7 . 1 1 95 95 TYR H H 92 7.900 7.900 8.157 -0.257 17768
3360 1 7 . 1 1 96 96 LYS N N 93 117.500 117.500 119.043 -1.543 17768
3361 1 7 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.559 -0.009 17768
3362 1 7 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.479 1.221 17768
3363 1 7 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.020 0.480 17768
3364 1 7 . 1 1 96 96 LYS H H 93 7.000 7.000 6.684 0.316 17768
3365 1 7 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.393 -0.023 17768
3366 1 7 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.129 1.471 17768
3367 1 7 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.754 -0.054 17768
3368 1 7 . 1 1 98 98 LEU N N 95 125.400 125.400 122.303 3.097 17768
3369 1 7 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.407 0.213 17768
3370 1 7 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.739 -0.939 17768
3371 1 7 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.047 2.553 17768
3372 1 7 . 1 1 98 98 LEU H H 95 8.380 8.380 8.533 -0.153 17768
3373 1 7 . 1 1 99 99 MET N N 96 123.100 123.100 123.737 -0.637 17768
3374 1 7 . 1 1 99 99 MET HA H 96 5.480 5.480 5.346 0.134 17768
3375 1 7 . 1 1 99 99 MET CA C 96 55.200 55.200 54.789 0.411 17768
3376 1 7 . 1 1 99 99 MET CB C 96 37.200 37.200 36.967 0.233 17768
3377 1 7 . 1 1 99 99 MET H H 96 8.480 8.480 8.461 0.019 17768
3378 1 7 . 1 1 100 100 PHE N N 97 122.900 122.900 125.727 -2.827 17768
3379 1 7 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.056 -0.666 17768
3380 1 7 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.784 2.516 17768
3381 1 7 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.416 1.684 17768
3382 1 7 . 1 1 100 100 PHE H H 97 8.640 8.640 9.318 -0.678 17768
3383 1 7 . 1 1 101 101 GLU N N 98 125.300 125.300 123.989 1.311 17768
3384 1 7 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.621 -0.191 17768
3385 1 7 . 1 1 101 101 GLU CA C 98 58.200 58.200 57.964 0.236 17768
3386 1 7 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.792 0.608 17768
3387 1 7 . 1 1 101 101 GLU H H 98 8.640 8.640 8.645 -0.005 17768
3388 1 7 . 1 1 102 102 GLY N N 99 107.100 107.100 106.766 0.334 17768
3389 1 7 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.488 1.212 17768
3390 1 7 . 1 1 102 102 GLY H H 99 8.250 8.250 7.458 0.792 17768
3391 1 7 . 1 1 103 103 PHE N N 100 120.200 120.200 121.021 -0.821 17768
3392 1 7 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.608 0.122 17768
3393 1 7 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.000 1.900 17768
3394 1 7 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.057 1.943 17768
3395 1 7 . 1 1 103 103 PHE H H 100 8.310 8.310 7.929 0.381 17768
3396 1 7 . 1 1 104 104 THR N N 101 116.100 116.100 119.226 -3.126 17768
3397 1 7 . 1 1 104 104 THR HA H 101 4.970 4.970 4.924 0.046 17768
3398 1 7 . 1 1 104 104 THR CA C 101 61.900 61.900 61.178 0.722 17768
3399 1 7 . 1 1 104 104 THR CB C 101 71.400 71.400 70.673 0.727 17768
3400 1 7 . 1 1 104 104 THR H H 101 8.250 8.250 8.322 -0.072 17768
3401 1 7 . 1 1 105 105 PHE N N 102 123.200 123.200 127.188 -3.988 17768
3402 1 7 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.745 0.865 17768
3403 1 7 . 1 1 105 105 PHE CA C 102 55.600 55.600 57.005 -1.405 17768
3404 1 7 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.634 1.966 17768
3405 1 7 . 1 1 105 105 PHE H H 102 8.840 8.840 8.747 0.093 17768
3406 1 7 . 1 1 106 106 VAL N N 103 120.000 120.000 124.158 -4.158 17768
3407 1 7 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.370 0.130 17768
3408 1 7 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.728 0.472 17768
3409 1 7 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.034 1.166 17768
3410 1 7 . 1 1 106 106 VAL H H 103 8.460 8.460 8.334 0.126 17768
3411 1 7 . 1 1 107 107 ALA N N 104 130.400 130.400 130.661 -0.261 17768
3412 1 7 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.910 -1.070 17768
3413 1 7 . 1 1 107 107 ALA CA C 104 52.400 52.400 52.039 0.360 17768
3414 1 7 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.708 -1.908 17768
3415 1 7 . 1 1 107 107 ALA H H 104 9.210 9.210 8.620 0.590 17768
3416 1 7 . 1 1 108 108 LYS N N 105 127.100 127.100 126.815 0.285 17768
3417 1 7 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.453 -0.223 17768
3418 1 7 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.362 0.838 17768
3419 1 7 . 1 1 108 108 LYS H H 105 8.670 8.670 8.642 0.028 17768
3420 1 7 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.606 -0.106 17768
3421 1 7 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.231 0.969 17768
3422 1 7 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.562 -0.062 17768
3423 1 7 . 1 1 116 116 ILE N N 113 125.200 125.200 127.486 -2.286 17768
3424 1 7 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.487 0.033 17768
3425 1 7 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.163 -0.262 17768
3426 1 7 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.827 0.873 17768
3427 1 7 . 1 1 116 116 ILE H H 113 8.760 8.760 8.812 -0.052 17768
3428 1 7 . 1 1 117 117 THR N N 114 119.000 119.000 121.566 -2.566 17768
3429 1 7 . 1 1 117 117 THR HA H 114 4.560 4.560 4.344 0.216 17768
3430 1 7 . 1 1 117 117 THR CA C 114 62.300 62.300 62.333 -0.033 17768
3431 1 7 . 1 1 117 117 THR CB C 114 69.400 69.400 69.504 -0.104 17768
3432 1 7 . 1 1 117 117 THR H H 114 8.380 8.380 8.528 -0.148 17768
3433 1 7 . 1 1 118 118 ASP N N 115 126.200 126.200 124.201 1.999 17768
3434 1 7 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.784 -0.134 17768
3435 1 7 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.452 1.048 17768
3436 1 7 . 1 1 118 118 ASP CB C 115 43.300 43.300 41.134 2.166 17768
3437 1 7 . 1 1 118 118 ASP H H 115 8.920 8.920 8.394 0.526 17768
3438 1 7 . 1 1 119 119 THR HA H 116 3.990 3.990 4.074 -0.084 17768
3439 1 7 . 1 1 119 119 THR CA C 116 64.800 64.800 64.714 0.086 17768
3440 1 7 . 1 1 119 119 THR CB C 116 69.200 69.200 68.775 0.425 17768
3441 1 7 . 1 1 120 120 ASP N N 117 120.500 120.500 120.797 -0.297 17768
3442 1 7 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.710 1.090 17768
3443 1 7 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.013 -1.313 17768
3444 1 7 . 1 1 120 120 ASP H H 117 8.360 8.360 8.147 0.213 17768
3445 1 7 . 1 1 121 121 GLY N N 118 108.600 108.600 108.135 0.465 17768
3446 1 7 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.343 0.457 17768
3447 1 7 . 1 1 121 121 GLY H H 118 8.310 8.310 8.120 0.190 17768
3448 1 7 . 1 1 122 122 VAL N N 119 118.600 118.600 120.186 -1.586 17768
3449 1 7 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.337 -0.137 17768
3450 1 7 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.554 1.646 17768
3451 1 7 . 1 1 122 122 VAL CB C 119 36.000 36.000 31.702 4.298 17768
3452 1 7 . 1 1 122 122 VAL H H 119 8.500 8.500 7.712 0.788 17768
3453 1 7 . 1 1 123 123 THR N N 120 123.300 123.300 122.491 0.809 17768
3454 1 7 . 1 1 123 123 THR HA H 120 4.030 4.030 4.415 -0.385 17768
3455 1 7 . 1 1 123 123 THR CA C 120 64.800 64.800 62.477 2.323 17768
3456 1 7 . 1 1 123 123 THR CB C 120 68.400 68.400 69.097 -0.697 17768
3457 1 7 . 1 1 123 123 THR H H 120 9.700 9.700 8.332 1.368 17768
3458 1 7 . 1 1 124 124 LYS N N 121 125.500 125.500 129.027 -3.527 17768
3459 1 7 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.687 -0.137 17768
3460 1 7 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.660 -1.359 17768
3461 1 7 . 1 1 124 124 LYS H H 121 8.650 8.650 8.630 0.020 17768
3462 1 7 . 1 1 125 125 HIS N N 122 121.400 121.400 124.813 -3.413 17768
3463 1 7 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.203 -0.123 17768
3464 1 7 . 1 1 125 125 HIS CA C 122 51.600 51.600 55.391 -3.791 17768
3465 1 7 . 1 1 125 125 HIS CB C 122 31.600 31.600 33.096 -1.496 17768
3466 1 7 . 1 1 125 125 HIS H H 122 8.580 8.580 8.661 -0.081 17768
3467 1 7 . 1 1 126 126 GLY N N 123 114.000 114.000 113.440 0.560 17768
3468 1 7 . 1 1 126 126 GLY CA C 123 44.200 44.200 43.837 0.363 17768
3469 1 7 . 1 1 126 126 GLY H H 123 10.010 10.010 8.501 1.509 17768
3470 1 7 . 1 1 127 127 ILE N N 124 124.000 124.000 124.037 -0.037 17768
3471 1 7 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.685 -0.205 17768
3472 1 7 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.944 1.756 17768
3473 1 7 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.781 0.319 17768
3474 1 7 . 1 1 127 127 ILE H H 124 8.740 8.740 8.085 0.655 17768
3475 1 7 . 1 1 128 128 ILE N N 125 126.200 126.200 129.411 -3.211 17768
3476 1 7 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.279 0.501 17768
3477 1 7 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.440 -0.340 17768
3478 1 7 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.168 1.632 17768
3479 1 7 . 1 1 128 128 ILE H H 125 8.640 8.640 8.935 -0.295 17768
3480 1 7 . 1 1 129 129 LYS N N 126 126.300 126.300 129.255 -2.955 17768
3481 1 7 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.972 0.438 17768
3482 1 7 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.967 0.633 17768
3483 1 7 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.442 0.658 17768
3484 1 7 . 1 1 129 129 LYS H H 126 8.990 8.990 8.246 0.744 17768
3485 1 7 . 1 1 130 130 VAL N N 127 126.300 126.300 125.183 1.117 17768
3486 1 7 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.677 -0.117 17768
3487 1 7 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.218 1.882 17768
3488 1 7 . 1 1 130 130 VAL CB C 127 36.000 36.000 36.266 -0.266 17768
3489 1 7 . 1 1 130 130 VAL H H 127 8.880 8.880 8.890 -0.010 17768
3490 1 7 . 1 1 131 131 ARG N N 128 126.600 126.600 126.417 0.183 17768
3491 1 7 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.891 0.069 17768
3492 1 7 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.631 1.969 17768
3493 1 7 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.275 -0.675 17768
3494 1 7 . 1 1 131 131 ARG H H 128 8.720 8.720 8.039 0.681 17768
3495 1 7 . 1 1 132 132 PHE N N 129 125.700 125.700 123.990 1.710 17768
3496 1 7 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.516 0.094 17768
3497 1 7 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.913 0.687 17768
3498 1 7 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.893 0.507 17768
3499 1 7 . 1 1 132 132 PHE H H 129 9.720 9.720 8.758 0.962 17768
3500 1 7 . 1 1 133 133 THR N N 130 114.700 114.700 117.646 -2.946 17768
3501 1 7 . 1 1 133 133 THR HA H 130 5.070 5.070 4.836 0.234 17768
3502 1 7 . 1 1 133 133 THR CA C 130 61.800 61.800 61.942 -0.142 17768
3503 1 7 . 1 1 133 133 THR CB C 130 71.100 71.100 71.241 -0.141 17768
3504 1 7 . 1 1 133 133 THR H H 130 9.100 9.100 9.245 -0.145 17768
3505 1 7 . 1 1 134 134 ILE N N 131 123.000 123.000 121.834 1.166 17768
3506 1 7 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.383 1.017 17768
3507 1 7 . 1 1 134 134 ILE H H 131 8.400 8.400 8.287 0.113 17768
3508 1 8 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.864 -0.624 17768
3509 1 8 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.939 -1.039 17768
3510 1 8 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.259 0.541 17768
3511 1 8 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.314 -1.614 17768
3512 1 8 . 1 1 9 9 ALA N N 6 122.500 122.500 121.045 1.455 17768
3513 1 8 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.174 -1.194 17768
3514 1 8 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.884 -0.184 17768
3515 1 8 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.376 0.424 17768
3516 1 8 . 1 1 9 9 ALA H H 6 8.150 8.150 8.677 -0.527 17768
3517 1 8 . 1 1 10 10 SER N N 7 112.300 112.300 114.169 -1.869 17768
3518 1 8 . 1 1 10 10 SER HA H 7 3.660 3.660 4.371 -0.711 17768
3519 1 8 . 1 1 10 10 SER CA C 7 62.300 62.300 61.989 0.312 17768
3520 1 8 . 1 1 10 10 SER H H 7 7.910 7.910 7.830 0.080 17768
3521 1 8 . 1 1 11 11 ARG N N 8 122.300 122.300 120.456 1.844 17768
3522 1 8 . 1 1 11 11 ARG HA H 8 3.950 3.950 3.994 -0.044 17768
3523 1 8 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.904 0.696 17768
3524 1 8 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.200 -0.400 17768
3525 1 8 . 1 1 11 11 ARG H H 8 7.390 7.390 7.599 -0.209 17768
3526 1 8 . 1 1 12 12 ALA N N 9 121.500 121.500 122.960 -1.460 17768
3527 1 8 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.700 0.170 17768
3528 1 8 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.650 0.350 17768
3529 1 8 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.367 1.833 17768
3530 1 8 . 1 1 12 12 ALA H H 9 7.720 7.720 8.273 -0.553 17768
3531 1 8 . 1 1 13 13 LEU N N 10 119.000 119.000 118.997 0.003 17768
3532 1 8 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.970 -1.060 17768
3533 1 8 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.681 -0.081 17768
3534 1 8 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.592 0.408 17768
3535 1 8 . 1 1 13 13 LEU H H 10 7.940 7.940 7.441 0.499 17768
3536 1 8 . 1 1 14 14 GLN N N 11 119.300 119.300 118.585 0.715 17768
3537 1 8 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.913 -0.563 17768
3538 1 8 . 1 1 14 14 GLN CA C 11 60.700 60.700 57.983 2.717 17768
3539 1 8 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.473 0.527 17768
3540 1 8 . 1 1 14 14 GLN H H 11 7.390 7.390 8.124 -0.734 17768
3541 1 8 . 1 1 15 15 LYS N N 12 116.200 116.200 121.486 -5.286 17768
3542 1 8 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.240 -0.620 17768
3543 1 8 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.777 -0.477 17768
3544 1 8 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.948 -0.148 17768
3545 1 8 . 1 1 15 15 LYS H H 12 7.470 7.470 7.467 0.003 17768
3546 1 8 . 1 1 16 16 ALA N N 13 121.700 121.700 121.881 -0.181 17768
3547 1 8 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.188 -0.018 17768
3548 1 8 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.069 0.331 17768
3549 1 8 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.573 1.027 17768
3550 1 8 . 1 1 16 16 ALA H H 13 8.560 8.560 8.162 0.398 17768
3551 1 8 . 1 1 17 17 THR N N 14 108.700 108.700 116.946 -8.246 17768
3552 1 8 . 1 1 17 17 THR HA H 14 3.650 3.650 4.091 -0.441 17768
3553 1 8 . 1 1 17 17 THR CA C 14 66.500 66.500 66.824 -0.324 17768
3554 1 8 . 1 1 17 17 THR CB C 14 69.300 69.300 68.971 0.329 17768
3555 1 8 . 1 1 17 17 THR H H 14 8.210 8.210 7.813 0.397 17768
3556 1 8 . 1 1 18 18 VAL N N 15 122.600 122.600 121.079 1.521 17768
3557 1 8 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.878 -0.478 17768
3558 1 8 . 1 1 18 18 VAL CA C 15 68.400 68.400 65.646 2.754 17768
3559 1 8 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.338 0.162 17768
3560 1 8 . 1 1 18 18 VAL H H 15 7.570 7.570 8.521 -0.951 17768
3561 1 8 . 1 1 19 19 GLU N N 16 117.400 117.400 120.363 -2.963 17768
3562 1 8 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.410 -0.240 17768
3563 1 8 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.196 0.504 17768
3564 1 8 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.406 -0.206 17768
3565 1 8 . 1 1 19 19 GLU H H 16 7.560 7.560 8.421 -0.861 17768
3566 1 8 . 1 1 20 20 ASN N N 17 120.900 120.900 119.579 1.321 17768
3567 1 8 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.700 -0.470 17768
3568 1 8 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.118 1.082 17768
3569 1 8 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.833 0.067 17768
3570 1 8 . 1 1 20 20 ASN H H 17 8.150 8.150 8.162 -0.012 17768
3571 1 8 . 1 1 21 21 LEU N N 18 119.500 119.500 120.038 -0.538 17768
3572 1 8 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.098 -0.178 17768
3573 1 8 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.952 2.148 17768
3574 1 8 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.849 0.751 17768
3575 1 8 . 1 1 21 21 LEU H H 18 8.500 8.500 8.157 0.343 17768
3576 1 8 . 1 1 22 22 GLU N N 19 112.100 112.100 115.093 -2.993 17768
3577 1 8 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.194 0.406 17768
3578 1 8 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.995 0.705 17768
3579 1 8 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.211 -0.011 17768
3580 1 8 . 1 1 22 22 GLU H H 19 8.450 8.450 8.047 0.403 17768
3581 1 8 . 1 1 23 23 SER N N 20 110.300 110.300 115.582 -5.282 17768
3582 1 8 . 1 1 23 23 SER HA H 20 4.490 4.490 4.513 -0.023 17768
3583 1 8 . 1 1 23 23 SER CA C 20 58.600 58.600 60.429 -1.829 17768
3584 1 8 . 1 1 23 23 SER H H 20 7.570 7.570 8.162 -0.592 17768
3585 1 8 . 1 1 24 24 TYR N N 21 125.300 125.300 125.755 -0.455 17768
3586 1 8 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.881 0.699 17768
3587 1 8 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.408 2.292 17768
3588 1 8 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.278 0.122 17768
3589 1 8 . 1 1 24 24 TYR H H 21 7.560 7.560 8.033 -0.473 17768
3590 1 8 . 1 1 25 25 GLN N N 22 130.000 130.000 128.377 1.623 17768
3591 1 8 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.794 0.056 17768
3592 1 8 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.841 0.959 17768
3593 1 8 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.997 0.303 17768
3594 1 8 . 1 1 25 25 GLN H H 22 8.710 8.710 8.170 0.540 17768
3595 1 8 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.211 -0.201 17768
3596 1 8 . 1 1 27 27 LEU N N 24 112.400 112.400 120.379 -7.979 17768
3597 1 8 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.011 0.199 17768
3598 1 8 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.757 -0.457 17768
3599 1 8 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.032 1.068 17768
3600 1 8 . 1 1 27 27 LEU H H 24 6.720 6.720 7.882 -1.162 17768
3601 1 8 . 1 1 28 28 MET N N 25 116.900 116.900 116.397 0.503 17768
3602 1 8 . 1 1 28 28 MET HA H 25 4.510 4.510 4.264 0.246 17768
3603 1 8 . 1 1 28 28 MET CA C 25 55.900 55.900 57.626 -1.726 17768
3604 1 8 . 1 1 28 28 MET CB C 25 29.100 29.100 31.202 -2.102 17768
3605 1 8 . 1 1 28 28 MET H H 25 7.620 7.620 7.576 0.044 17768
3606 1 8 . 1 1 29 29 GLU N N 26 116.100 116.100 118.765 -2.665 17768
3607 1 8 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.160 -0.020 17768
3608 1 8 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.549 -0.149 17768
3609 1 8 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.867 0.433 17768
3610 1 8 . 1 1 29 29 GLU H H 26 8.060 8.060 7.792 0.268 17768
3611 1 8 . 1 1 30 30 MET N N 27 115.100 115.100 116.322 -1.222 17768
3612 1 8 . 1 1 30 30 MET HA H 27 4.450 4.450 4.427 0.023 17768
3613 1 8 . 1 1 30 30 MET CA C 27 57.000 57.000 56.437 0.563 17768
3614 1 8 . 1 1 30 30 MET CB C 27 36.500 36.500 34.011 2.489 17768
3615 1 8 . 1 1 30 30 MET H H 27 7.920 7.920 7.729 0.191 17768
3616 1 8 . 1 1 31 31 VAL N N 28 107.100 107.100 111.438 -4.338 17768
3617 1 8 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.568 0.142 17768
3618 1 8 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.810 -1.210 17768
3619 1 8 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.078 2.422 17768
3620 1 8 . 1 1 31 31 VAL H H 28 7.180 7.180 7.869 -0.689 17768
3621 1 8 . 1 1 32 32 ASN N N 29 115.300 115.300 120.217 -4.917 17768
3622 1 8 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.986 -0.286 17768
3623 1 8 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.751 2.049 17768
3624 1 8 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.667 0.733 17768
3625 1 8 . 1 1 32 32 ASN H H 29 8.670 8.670 9.065 -0.395 17768
3626 1 8 . 1 1 33 33 GLN N N 30 108.900 108.900 119.017 -10.117 17768
3627 1 8 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.601 0.019 17768
3628 1 8 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.880 0.720 17768
3629 1 8 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.048 2.352 17768
3630 1 8 . 1 1 33 33 GLN H H 30 7.190 7.190 8.493 -1.303 17768
3631 1 8 . 1 1 34 34 VAL N N 31 122.000 122.000 118.261 3.739 17768
3632 1 8 . 1 1 34 34 VAL HA H 31 4.910 4.910 5.065 -0.155 17768
3633 1 8 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.035 1.565 17768
3634 1 8 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.243 2.557 17768
3635 1 8 . 1 1 34 34 VAL H H 31 8.860 8.860 7.431 1.429 17768
3636 1 8 . 1 1 35 35 THR N N 32 119.200 119.200 121.200 -2.000 17768
3637 1 8 . 1 1 35 35 THR HA H 32 4.900 4.900 4.709 0.191 17768
3638 1 8 . 1 1 35 35 THR CA C 32 59.100 59.100 60.325 -1.225 17768
3639 1 8 . 1 1 35 35 THR CB C 32 70.100 70.100 72.208 -2.108 17768
3640 1 8 . 1 1 35 35 THR H H 32 8.910 8.910 8.708 0.202 17768
3641 1 8 . 1 1 36 36 GLU H H 33 8.200 8.200 9.067 -0.867 17768
3642 1 8 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.585 -0.465 17768
3643 1 8 . 1 1 39 39 GLY N N 36 111.100 111.100 112.148 -1.048 17768
3644 1 8 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.481 -0.781 17768
3645 1 8 . 1 1 39 39 GLY H H 36 8.570 8.570 8.917 -0.347 17768
3646 1 8 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.571 -0.751 17768
3647 1 8 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.302 0.498 17768
3648 1 8 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.308 0.292 17768
3649 1 8 . 1 1 40 40 LYS H H 37 7.070 7.070 8.546 -1.476 17768
3650 1 8 . 1 1 41 41 ASP N N 38 116.100 116.100 116.596 -0.496 17768
3651 1 8 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.703 -0.133 17768
3652 1 8 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.097 0.403 17768
3653 1 8 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.531 1.269 17768
3654 1 8 . 1 1 41 41 ASP H H 38 8.250 8.250 8.413 -0.163 17768
3655 1 8 . 1 1 42 42 ASP N N 39 123.300 123.300 122.397 0.903 17768
3656 1 8 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.676 -0.226 17768
3657 1 8 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.055 1.445 17768
3658 1 8 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.173 -1.873 17768
3659 1 8 . 1 1 42 42 ASP H H 39 7.070 7.070 7.318 -0.248 17768
3660 1 8 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.150 0.150 17768
3661 1 8 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.694 -0.194 17768
3662 1 8 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.559 -0.459 17768
3663 1 8 . 1 1 44 44 TYR N N 41 122.700 122.700 119.516 3.184 17768
3664 1 8 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.895 -0.295 17768
3665 1 8 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.750 -1.650 17768
3666 1 8 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.143 -0.643 17768
3667 1 8 . 1 1 44 44 TYR H H 41 8.200 8.200 8.383 -0.183 17768
3668 1 8 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.181 0.419 17768
3669 1 8 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.793 -0.293 17768
3670 1 8 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.321 2.780 17768
3671 1 8 . 1 1 46 46 TYR N N 43 113.000 113.000 116.521 -3.521 17768
3672 1 8 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.829 0.331 17768
3673 1 8 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.395 0.305 17768
3674 1 8 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.802 1.098 17768
3675 1 8 . 1 1 46 46 TYR H H 43 8.640 8.640 8.659 -0.019 17768
3676 1 8 . 1 1 47 47 VAL N N 44 118.300 118.300 120.744 -2.444 17768
3677 1 8 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.882 0.618 17768
3678 1 8 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.895 -0.095 17768
3679 1 8 . 1 1 47 47 VAL CB C 44 35.300 35.300 34.727 0.573 17768
3680 1 8 . 1 1 47 47 VAL H H 44 8.210 8.210 8.428 -0.218 17768
3681 1 8 . 1 1 48 48 VAL N N 45 127.100 127.100 124.176 2.924 17768
3682 1 8 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.104 0.406 17768
3683 1 8 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.288 0.413 17768
3684 1 8 . 1 1 48 48 VAL CB C 45 35.300 35.300 34.578 0.722 17768
3685 1 8 . 1 1 48 48 VAL H H 45 9.960 9.960 8.474 1.486 17768
3686 1 8 . 1 1 49 49 ILE N N 46 126.500 126.500 124.359 2.141 17768
3687 1 8 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.843 -0.853 17768
3688 1 8 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.916 0.984 17768
3689 1 8 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.564 -0.364 17768
3690 1 8 . 1 1 49 49 ILE H H 46 8.160 8.160 8.097 0.063 17768
3691 1 8 . 1 1 50 50 GLY N N 47 116.200 116.200 113.729 2.471 17768
3692 1 8 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.441 -0.541 17768
3693 1 8 . 1 1 50 50 GLY H H 47 8.100 8.100 8.077 0.023 17768
3694 1 8 . 1 1 51 51 ASP N N 48 118.000 118.000 118.492 -0.492 17768
3695 1 8 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.017 -0.527 17768
3696 1 8 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.981 1.919 17768
3697 1 8 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.269 -1.769 17768
3698 1 8 . 1 1 51 51 ASP H H 48 8.150 8.150 8.320 -0.170 17768
3699 1 8 . 1 1 52 52 GLN N N 49 118.000 118.000 121.027 -3.027 17768
3700 1 8 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.673 0.237 17768
3701 1 8 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.603 0.397 17768
3702 1 8 . 1 1 52 52 GLN CB C 49 31.100 31.100 31.619 -0.519 17768
3703 1 8 . 1 1 52 52 GLN H H 49 8.400 8.400 8.546 -0.146 17768
3704 1 8 . 1 1 53 53 SER N N 50 115.900 115.900 117.817 -1.917 17768
3705 1 8 . 1 1 53 53 SER CA C 50 58.200 58.200 57.642 0.558 17768
3706 1 8 . 1 1 53 53 SER CB C 50 64.700 64.700 63.931 0.769 17768
3707 1 8 . 1 1 53 53 SER H H 50 8.770 8.770 8.575 0.195 17768
3708 1 8 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.530 -0.230 17768
3709 1 8 . 1 1 57 57 PHE N N 54 126.200 126.200 119.816 6.384 17768
3710 1 8 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.708 0.152 17768
3711 1 8 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.928 -3.828 17768
3712 1 8 . 1 1 57 57 PHE CB C 54 40.400 40.400 42.065 -1.665 17768
3713 1 8 . 1 1 57 57 PHE H H 54 8.620 8.620 8.456 0.164 17768
3714 1 8 . 1 1 59 59 THR HA H 56 4.910 4.910 4.426 0.484 17768
3715 1 8 . 1 1 60 60 LYS N N 57 123.900 123.900 123.274 0.626 17768
3716 1 8 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.081 0.589 17768
3717 1 8 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.480 0.420 17768
3718 1 8 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.096 -0.696 17768
3719 1 8 . 1 1 60 60 LYS H H 57 8.760 8.760 8.492 0.268 17768
3720 1 8 . 1 1 61 61 SER N N 58 113.900 113.900 121.051 -7.151 17768
3721 1 8 . 1 1 61 61 SER HA H 58 4.690 4.690 3.879 0.811 17768
3722 1 8 . 1 1 61 61 SER CA C 58 55.000 55.000 58.083 -3.083 17768
3723 1 8 . 1 1 61 61 SER CB C 58 63.000 63.000 62.311 0.689 17768
3724 1 8 . 1 1 61 61 SER H H 58 8.400 8.400 8.605 -0.205 17768
3725 1 8 . 1 1 66 66 ASN N N 63 117.100 117.100 118.097 -0.997 17768
3726 1 8 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.439 0.221 17768
3727 1 8 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.471 0.629 17768
3728 1 8 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.646 0.754 17768
3729 1 8 . 1 1 66 66 ASN H H 63 8.260 8.260 7.721 0.539 17768
3730 1 8 . 1 1 67 67 ILE N N 64 120.300 120.300 125.599 -5.299 17768
3731 1 8 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.486 0.134 17768
3732 1 8 . 1 1 67 67 ILE CA C 64 61.300 61.300 58.889 2.410 17768
3733 1 8 . 1 1 67 67 ILE CB C 64 43.200 43.200 39.697 3.503 17768
3734 1 8 . 1 1 67 67 ILE H H 64 8.910 8.910 9.101 -0.191 17768
3735 1 8 . 1 1 68 68 THR N N 65 124.100 124.100 124.203 -0.103 17768
3736 1 8 . 1 1 68 68 THR HA H 65 5.490 5.490 5.223 0.267 17768
3737 1 8 . 1 1 68 68 THR CA C 65 61.900 61.900 61.585 0.315 17768
3738 1 8 . 1 1 68 68 THR CB C 65 70.200 70.200 70.731 -0.531 17768
3739 1 8 . 1 1 68 68 THR H H 65 8.940 8.940 8.432 0.508 17768
3740 1 8 . 1 1 69 69 MET N N 66 126.700 126.700 126.224 0.476 17768
3741 1 8 . 1 1 69 69 MET HA H 66 5.050 5.050 5.089 -0.039 17768
3742 1 8 . 1 1 69 69 MET CA C 66 55.100 55.100 54.480 0.620 17768
3743 1 8 . 1 1 69 69 MET CB C 66 38.100 38.100 37.334 0.766 17768
3744 1 8 . 1 1 69 69 MET H H 66 9.200 9.200 9.201 -0.001 17768
3745 1 8 . 1 1 70 70 ASP N N 67 123.500 123.500 121.255 2.245 17768
3746 1 8 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.235 0.175 17768
3747 1 8 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.942 0.058 17768
3748 1 8 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.595 -2.095 17768
3749 1 8 . 1 1 70 70 ASP H H 67 7.720 7.720 8.240 -0.520 17768
3750 1 8 . 1 1 71 71 PHE N N 68 116.900 116.900 116.718 0.182 17768
3751 1 8 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.239 -0.409 17768
3752 1 8 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.088 1.912 17768
3753 1 8 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.258 1.742 17768
3754 1 8 . 1 1 71 71 PHE H H 68 9.130 9.130 8.612 0.518 17768
3755 1 8 . 1 1 72 72 HIS N N 69 120.400 120.400 120.291 0.109 17768
3756 1 8 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.653 0.777 17768
3757 1 8 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.599 0.601 17768
3758 1 8 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.267 3.833 17768
3759 1 8 . 1 1 72 72 HIS H H 69 9.350 9.350 9.301 0.049 17768
3760 1 8 . 1 1 73 73 VAL N N 70 124.900 124.900 123.934 0.966 17768
3761 1 8 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.152 0.288 17768
3762 1 8 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.809 0.191 17768
3763 1 8 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.731 1.569 17768
3764 1 8 . 1 1 73 73 VAL H H 70 9.610 9.610 8.228 1.382 17768
3765 1 8 . 1 1 74 74 TRP N N 71 129.500 129.500 126.380 3.120 17768
3766 1 8 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.156 -0.216 17768
3767 1 8 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.064 0.736 17768
3768 1 8 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.336 -2.336 17768
3769 1 8 . 1 1 74 74 TRP H H 71 8.790 8.790 9.176 -0.386 17768
3770 1 8 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.756 -0.356 17768
3771 1 8 . 1 1 76 76 GLY N N 73 105.500 105.500 110.167 -4.667 17768
3772 1 8 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.110 -0.310 17768
3773 1 8 . 1 1 76 76 GLY H H 73 8.710 8.710 8.378 0.332 17768
3774 1 8 . 1 1 77 77 THR N N 74 114.200 114.200 117.878 -3.678 17768
3775 1 8 . 1 1 77 77 THR HA H 74 4.460 4.460 4.417 0.043 17768
3776 1 8 . 1 1 77 77 THR CA C 74 62.700 62.700 62.634 0.066 17768
3777 1 8 . 1 1 77 77 THR CB C 74 70.000 70.000 70.515 -0.515 17768
3778 1 8 . 1 1 77 77 THR H H 74 9.010 9.010 7.920 1.090 17768
3779 1 8 . 1 1 78 78 THR N N 75 110.800 110.800 115.138 -4.338 17768
3780 1 8 . 1 1 78 78 THR CA C 75 59.100 59.100 61.430 -2.330 17768
3781 1 8 . 1 1 78 78 THR H H 75 7.960 7.960 7.468 0.492 17768
3782 1 8 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.904 0.397 17768
3783 1 8 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.536 -0.936 17768
3784 1 8 . 1 1 80 80 ALA N N 77 120.500 120.500 120.318 0.182 17768
3785 1 8 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.088 -0.068 17768
3786 1 8 . 1 1 80 80 ALA CA C 77 55.400 55.400 55.043 0.357 17768
3787 1 8 . 1 1 80 80 ALA CB C 77 18.700 18.700 17.994 0.706 17768
3788 1 8 . 1 1 80 80 ALA H H 77 8.290 8.290 8.545 -0.255 17768
3789 1 8 . 1 1 81 81 GLU N N 78 118.800 118.800 118.495 0.305 17768
3790 1 8 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.088 -0.048 17768
3791 1 8 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.729 -0.029 17768
3792 1 8 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.095 1.405 17768
3793 1 8 . 1 1 81 81 GLU H H 78 7.930 7.930 7.973 -0.043 17768
3794 1 8 . 1 1 82 82 ALA N N 79 119.700 119.700 122.322 -2.622 17768
3795 1 8 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.073 -0.193 17768
3796 1 8 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.276 0.224 17768
3797 1 8 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.270 0.130 17768
3798 1 8 . 1 1 82 82 ALA H H 79 7.470 7.470 7.468 0.002 17768
3799 1 8 . 1 1 83 83 GLN N N 80 120.700 120.700 117.119 3.581 17768
3800 1 8 . 1 1 83 83 GLN HA H 80 3.830 3.830 3.982 -0.152 17768
3801 1 8 . 1 1 83 83 GLN CA C 80 59.200 59.200 59.038 0.162 17768
3802 1 8 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.127 0.574 17768
3803 1 8 . 1 1 83 83 GLN H H 80 8.690 8.690 8.291 0.399 17768
3804 1 8 . 1 1 84 84 ASP N N 81 123.100 123.100 120.688 2.412 17768
3805 1 8 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.510 -0.140 17768
3806 1 8 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.157 1.343 17768
3807 1 8 . 1 1 84 84 ASP CB C 81 40.300 40.300 41.402 -1.102 17768
3808 1 8 . 1 1 84 84 ASP H H 81 8.480 8.480 7.789 0.691 17768
3809 1 8 . 1 1 85 85 ILE N N 82 119.300 119.300 117.588 1.712 17768
3810 1 8 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.713 -0.173 17768
3811 1 8 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.034 1.666 17768
3812 1 8 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.604 0.896 17768
3813 1 8 . 1 1 85 85 ILE H H 82 8.340 8.340 8.229 0.111 17768
3814 1 8 . 1 1 86 86 SER N N 83 114.800 114.800 116.719 -1.919 17768
3815 1 8 . 1 1 86 86 SER HA H 83 4.560 4.560 4.083 0.477 17768
3816 1 8 . 1 1 86 86 SER CA C 83 63.500 63.500 62.596 0.904 17768
3817 1 8 . 1 1 86 86 SER H H 83 7.880 7.880 8.384 -0.504 17768
3818 1 8 . 1 1 87 87 SER N N 84 117.400 117.400 117.604 -0.204 17768
3819 1 8 . 1 1 87 87 SER HA H 84 4.400 4.400 4.269 0.131 17768
3820 1 8 . 1 1 87 87 SER CA C 84 58.100 58.100 61.355 -3.255 17768
3821 1 8 . 1 1 87 87 SER H H 84 8.320 8.320 7.707 0.613 17768
3822 1 8 . 1 1 88 88 ARG N N 85 121.100 121.100 121.744 -0.644 17768
3823 1 8 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.336 -0.246 17768
3824 1 8 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.265 0.435 17768
3825 1 8 . 1 1 88 88 ARG H H 85 7.780 7.780 8.410 -0.630 17768
3826 1 8 . 1 1 89 89 VAL N N 86 121.200 121.200 120.492 0.708 17768
3827 1 8 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.663 -0.303 17768
3828 1 8 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.517 0.983 17768
3829 1 8 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.196 -0.196 17768
3830 1 8 . 1 1 89 89 VAL H H 86 8.190 8.190 8.231 -0.041 17768
3831 1 8 . 1 1 90 90 LEU N N 87 117.500 117.500 119.498 -1.998 17768
3832 1 8 . 1 1 90 90 LEU HA H 87 3.690 3.690 4.057 -0.367 17768
3833 1 8 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.305 -0.005 17768
3834 1 8 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.029 1.271 17768
3835 1 8 . 1 1 90 90 LEU H H 87 7.330 7.330 7.884 -0.554 17768
3836 1 8 . 1 1 91 91 GLU N N 88 118.500 118.500 120.980 -2.480 17768
3837 1 8 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.862 -0.242 17768
3838 1 8 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.949 0.151 17768
3839 1 8 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.048 1.552 17768
3840 1 8 . 1 1 91 91 GLU H H 88 7.810 7.810 7.907 -0.097 17768
3841 1 8 . 1 1 92 92 ALA N N 89 121.800 121.800 120.398 1.402 17768
3842 1 8 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.947 -0.887 17768
3843 1 8 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.811 -0.411 17768
3844 1 8 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.794 1.406 17768
3845 1 8 . 1 1 92 92 ALA H H 89 7.820 7.820 7.503 0.318 17768
3846 1 8 . 1 1 93 93 LEU N N 90 113.600 113.600 117.476 -3.876 17768
3847 1 8 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.356 -0.336 17768
3848 1 8 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.617 -0.417 17768
3849 1 8 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.680 2.020 17768
3850 1 8 . 1 1 93 93 LEU H H 90 7.570 7.570 8.197 -0.627 17768
3851 1 8 . 1 1 94 94 THR N N 91 102.400 102.400 109.814 -7.414 17768
3852 1 8 . 1 1 94 94 THR HA H 91 4.510 4.510 4.407 0.103 17768
3853 1 8 . 1 1 94 94 THR CA C 91 61.500 61.500 62.908 -1.408 17768
3854 1 8 . 1 1 94 94 THR CB C 91 71.300 71.300 68.540 2.760 17768
3855 1 8 . 1 1 94 94 THR H H 91 7.280 7.280 7.604 -0.324 17768
3856 1 8 . 1 1 95 95 TYR N N 92 123.600 123.600 123.186 0.414 17768
3857 1 8 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.337 -0.007 17768
3858 1 8 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.858 -0.158 17768
3859 1 8 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.471 -1.871 17768
3860 1 8 . 1 1 95 95 TYR H H 92 7.900 7.900 7.882 0.018 17768
3861 1 8 . 1 1 96 96 LYS N N 93 117.500 117.500 120.472 -2.972 17768
3862 1 8 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.414 0.136 17768
3863 1 8 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.579 1.121 17768
3864 1 8 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.921 0.579 17768
3865 1 8 . 1 1 96 96 LYS H H 93 7.000 7.000 7.389 -0.389 17768
3866 1 8 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.380 -0.010 17768
3867 1 8 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.408 1.192 17768
3868 1 8 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.495 0.205 17768
3869 1 8 . 1 1 98 98 LEU N N 95 125.400 125.400 122.866 2.534 17768
3870 1 8 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.471 0.149 17768
3871 1 8 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.874 -1.074 17768
3872 1 8 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.840 2.760 17768
3873 1 8 . 1 1 98 98 LEU H H 95 8.380 8.380 8.653 -0.273 17768
3874 1 8 . 1 1 99 99 MET N N 96 123.100 123.100 124.136 -1.036 17768
3875 1 8 . 1 1 99 99 MET HA H 96 5.480 5.480 5.401 0.079 17768
3876 1 8 . 1 1 99 99 MET CA C 96 55.200 55.200 54.818 0.382 17768
3877 1 8 . 1 1 99 99 MET CB C 96 37.200 37.200 36.513 0.687 17768
3878 1 8 . 1 1 99 99 MET H H 96 8.480 8.480 8.291 0.189 17768
3879 1 8 . 1 1 100 100 PHE N N 97 122.900 122.900 125.880 -2.980 17768
3880 1 8 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.958 -0.568 17768
3881 1 8 . 1 1 100 100 PHE CA C 97 60.300 60.300 58.303 1.997 17768
3882 1 8 . 1 1 100 100 PHE CB C 97 43.100 43.100 42.166 0.934 17768
3883 1 8 . 1 1 100 100 PHE H H 97 8.640 8.640 9.164 -0.524 17768
3884 1 8 . 1 1 101 101 GLU N N 98 125.300 125.300 125.391 -0.091 17768
3885 1 8 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.627 -0.197 17768
3886 1 8 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.539 1.661 17768
3887 1 8 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.486 0.914 17768
3888 1 8 . 1 1 101 101 GLU H H 98 8.640 8.640 8.662 -0.022 17768
3889 1 8 . 1 1 102 102 GLY N N 99 107.100 107.100 104.408 2.692 17768
3890 1 8 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.794 0.907 17768
3891 1 8 . 1 1 102 102 GLY H H 99 8.250 8.250 8.158 0.092 17768
3892 1 8 . 1 1 103 103 PHE N N 100 120.200 120.200 123.564 -3.364 17768
3893 1 8 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.680 0.050 17768
3894 1 8 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.311 2.589 17768
3895 1 8 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.370 2.630 17768
3896 1 8 . 1 1 103 103 PHE H H 100 8.310 8.310 7.548 0.762 17768
3897 1 8 . 1 1 104 104 THR N N 101 116.100 116.100 121.876 -5.776 17768
3898 1 8 . 1 1 104 104 THR HA H 101 4.970 4.970 4.917 0.053 17768
3899 1 8 . 1 1 104 104 THR CA C 101 61.900 61.900 60.793 1.107 17768
3900 1 8 . 1 1 104 104 THR CB C 101 71.400 71.400 70.073 1.327 17768
3901 1 8 . 1 1 104 104 THR H H 101 8.250 8.250 7.972 0.278 17768
3902 1 8 . 1 1 105 105 PHE N N 102 123.200 123.200 123.045 0.155 17768
3903 1 8 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.596 1.014 17768
3904 1 8 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.923 -0.324 17768
3905 1 8 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.383 1.218 17768
3906 1 8 . 1 1 105 105 PHE H H 102 8.840 8.840 8.529 0.311 17768
3907 1 8 . 1 1 106 106 VAL N N 103 120.000 120.000 123.545 -3.545 17768
3908 1 8 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.382 0.118 17768
3909 1 8 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.986 0.214 17768
3910 1 8 . 1 1 106 106 VAL CB C 103 35.200 35.200 32.901 2.299 17768
3911 1 8 . 1 1 106 106 VAL H H 103 8.460 8.460 8.331 0.129 17768
3912 1 8 . 1 1 107 107 ALA N N 104 130.400 130.400 131.396 -0.996 17768
3913 1 8 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.595 -0.755 17768
3914 1 8 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.228 1.172 17768
3915 1 8 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.977 -2.177 17768
3916 1 8 . 1 1 107 107 ALA H H 104 9.210 9.210 8.771 0.439 17768
3917 1 8 . 1 1 108 108 LYS N N 105 127.100 127.100 125.442 1.658 17768
3918 1 8 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.361 -0.131 17768
3919 1 8 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.922 0.278 17768
3920 1 8 . 1 1 108 108 LYS H H 105 8.670 8.670 8.528 0.142 17768
3921 1 8 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.141 0.359 17768
3922 1 8 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.842 0.358 17768
3923 1 8 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.445 1.055 17768
3924 1 8 . 1 1 116 116 ILE N N 113 125.200 125.200 127.258 -2.058 17768
3925 1 8 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.414 0.106 17768
3926 1 8 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.898 0.002 17768
3927 1 8 . 1 1 116 116 ILE CB C 113 41.700 41.700 41.653 0.047 17768
3928 1 8 . 1 1 116 116 ILE H H 113 8.760 8.760 8.300 0.460 17768
3929 1 8 . 1 1 117 117 THR N N 114 119.000 119.000 118.816 0.184 17768
3930 1 8 . 1 1 117 117 THR HA H 114 4.560 4.560 4.846 -0.286 17768
3931 1 8 . 1 1 117 117 THR CA C 114 62.300 62.300 61.382 0.918 17768
3932 1 8 . 1 1 117 117 THR CB C 114 69.400 69.400 70.130 -0.730 17768
3933 1 8 . 1 1 117 117 THR H H 114 8.380 8.380 8.205 0.175 17768
3934 1 8 . 1 1 118 118 ASP N N 115 126.200 126.200 125.853 0.347 17768
3935 1 8 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.968 -0.318 17768
3936 1 8 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.809 0.691 17768
3937 1 8 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.476 0.824 17768
3938 1 8 . 1 1 118 118 ASP H H 115 8.920 8.920 8.715 0.205 17768
3939 1 8 . 1 1 119 119 THR HA H 116 3.990 3.990 4.189 -0.199 17768
3940 1 8 . 1 1 119 119 THR CA C 116 64.800 64.800 64.258 0.542 17768
3941 1 8 . 1 1 119 119 THR CB C 116 69.200 69.200 69.023 0.176 17768
3942 1 8 . 1 1 120 120 ASP N N 117 120.500 120.500 120.574 -0.074 17768
3943 1 8 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.494 1.306 17768
3944 1 8 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.093 -1.393 17768
3945 1 8 . 1 1 120 120 ASP H H 117 8.360 8.360 7.978 0.382 17768
3946 1 8 . 1 1 121 121 GLY N N 118 108.600 108.600 108.362 0.238 17768
3947 1 8 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.101 0.699 17768
3948 1 8 . 1 1 121 121 GLY H H 118 8.310 8.310 7.744 0.566 17768
3949 1 8 . 1 1 122 122 VAL N N 119 118.600 118.600 117.117 1.483 17768
3950 1 8 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.121 0.079 17768
3951 1 8 . 1 1 122 122 VAL CA C 119 63.200 63.200 62.513 0.687 17768
3952 1 8 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.531 3.470 17768
3953 1 8 . 1 1 122 122 VAL H H 119 8.500 8.500 7.582 0.918 17768
3954 1 8 . 1 1 123 123 THR N N 120 123.300 123.300 118.316 4.984 17768
3955 1 8 . 1 1 123 123 THR HA H 120 4.030 4.030 4.041 -0.011 17768
3956 1 8 . 1 1 123 123 THR CA C 120 64.800 64.800 63.679 1.121 17768
3957 1 8 . 1 1 123 123 THR CB C 120 68.400 68.400 69.215 -0.815 17768
3958 1 8 . 1 1 123 123 THR H H 120 9.700 9.700 8.197 1.503 17768
3959 1 8 . 1 1 124 124 LYS N N 121 125.500 125.500 129.290 -3.790 17768
3960 1 8 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.700 -0.150 17768
3961 1 8 . 1 1 124 124 LYS CA C 121 54.300 54.300 54.831 -0.531 17768
3962 1 8 . 1 1 124 124 LYS H H 121 8.650 8.650 8.318 0.332 17768
3963 1 8 . 1 1 125 125 HIS N N 122 121.400 121.400 122.087 -0.687 17768
3964 1 8 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.314 -0.234 17768
3965 1 8 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.196 -2.596 17768
3966 1 8 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.016 -0.416 17768
3967 1 8 . 1 1 125 125 HIS H H 122 8.580 8.580 8.336 0.244 17768
3968 1 8 . 1 1 126 126 GLY N N 123 114.000 114.000 110.647 3.353 17768
3969 1 8 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.239 -0.039 17768
3970 1 8 . 1 1 126 126 GLY H H 123 10.010 10.010 8.464 1.546 17768
3971 1 8 . 1 1 127 127 ILE N N 124 124.000 124.000 123.728 0.272 17768
3972 1 8 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.380 0.100 17768
3973 1 8 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.531 1.169 17768
3974 1 8 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.290 1.810 17768
3975 1 8 . 1 1 127 127 ILE H H 124 8.740 8.740 8.451 0.289 17768
3976 1 8 . 1 1 128 128 ILE N N 125 126.200 126.200 129.940 -3.740 17768
3977 1 8 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.354 0.426 17768
3978 1 8 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.241 -0.141 17768
3979 1 8 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.217 2.583 17768
3980 1 8 . 1 1 128 128 ILE H H 125 8.640 8.640 8.656 -0.016 17768
3981 1 8 . 1 1 129 129 LYS N N 126 126.300 126.300 128.597 -2.297 17768
3982 1 8 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.734 0.676 17768
3983 1 8 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.237 0.363 17768
3984 1 8 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.155 1.945 17768
3985 1 8 . 1 1 129 129 LYS H H 126 8.990 8.990 8.446 0.544 17768
3986 1 8 . 1 1 130 130 VAL N N 127 126.300 126.300 125.605 0.695 17768
3987 1 8 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.067 0.493 17768
3988 1 8 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.649 0.451 17768
3989 1 8 . 1 1 130 130 VAL CB C 127 36.000 36.000 34.595 1.405 17768
3990 1 8 . 1 1 130 130 VAL H H 127 8.880 8.880 8.919 -0.039 17768
3991 1 8 . 1 1 131 131 ARG N N 128 126.600 126.600 126.829 -0.229 17768
3992 1 8 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.019 -0.059 17768
3993 1 8 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.683 0.917 17768
3994 1 8 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.466 0.134 17768
3995 1 8 . 1 1 131 131 ARG H H 128 8.720 8.720 8.413 0.307 17768
3996 1 8 . 1 1 132 132 PHE N N 129 125.700 125.700 126.075 -0.375 17768
3997 1 8 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.644 -0.034 17768
3998 1 8 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.804 0.796 17768
3999 1 8 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.993 0.407 17768
4000 1 8 . 1 1 132 132 PHE H H 129 9.720 9.720 9.282 0.438 17768
4001 1 8 . 1 1 133 133 THR N N 130 114.700 114.700 119.221 -4.521 17768
4002 1 8 . 1 1 133 133 THR HA H 130 5.070 5.070 5.400 -0.330 17768
4003 1 8 . 1 1 133 133 THR CA C 130 61.800 61.800 61.248 0.552 17768
4004 1 8 . 1 1 133 133 THR CB C 130 71.100 71.100 72.127 -1.027 17768
4005 1 8 . 1 1 133 133 THR H H 130 9.100 9.100 9.298 -0.198 17768
4006 1 8 . 1 1 134 134 ILE N N 131 123.000 123.000 122.710 0.290 17768
4007 1 8 . 1 1 134 134 ILE CA C 131 61.400 61.400 58.496 2.904 17768
4008 1 8 . 1 1 134 134 ILE H H 131 8.400 8.400 8.168 0.232 17768
4009 1 9 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.638 -0.398 17768
4010 1 9 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.478 -0.578 17768
4011 1 9 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.917 0.883 17768
4012 1 9 . 1 1 8 8 LEU CB C 5 39.700 39.700 40.229 -0.529 17768
4013 1 9 . 1 1 9 9 ALA N N 6 122.500 122.500 121.489 1.011 17768
4014 1 9 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.147 -1.167 17768
4015 1 9 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.071 -0.371 17768
4016 1 9 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.990 0.810 17768
4017 1 9 . 1 1 9 9 ALA H H 6 8.150 8.150 8.054 0.096 17768
4018 1 9 . 1 1 10 10 SER N N 7 112.300 112.300 114.073 -1.773 17768
4019 1 9 . 1 1 10 10 SER HA H 7 3.660 3.660 4.253 -0.593 17768
4020 1 9 . 1 1 10 10 SER CA C 7 62.300 62.300 61.366 0.934 17768
4021 1 9 . 1 1 10 10 SER H H 7 7.910 7.910 7.828 0.082 17768
4022 1 9 . 1 1 11 11 ARG N N 8 122.300 122.300 121.222 1.078 17768
4023 1 9 . 1 1 11 11 ARG HA H 8 3.950 3.950 3.978 -0.028 17768
4024 1 9 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.551 1.049 17768
4025 1 9 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.580 0.220 17768
4026 1 9 . 1 1 11 11 ARG H H 8 7.390 7.390 7.340 0.050 17768
4027 1 9 . 1 1 12 12 ALA N N 9 121.500 121.500 122.307 -0.807 17768
4028 1 9 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.696 0.174 17768
4029 1 9 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.239 0.761 17768
4030 1 9 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.680 2.520 17768
4031 1 9 . 1 1 12 12 ALA H H 9 7.720 7.720 7.753 -0.033 17768
4032 1 9 . 1 1 13 13 LEU N N 10 119.000 119.000 117.909 1.091 17768
4033 1 9 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.925 -1.015 17768
4034 1 9 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.441 0.159 17768
4035 1 9 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.242 -0.242 17768
4036 1 9 . 1 1 13 13 LEU H H 10 7.940 7.940 7.229 0.711 17768
4037 1 9 . 1 1 14 14 GLN N N 11 119.300 119.300 118.505 0.795 17768
4038 1 9 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.918 -0.568 17768
4039 1 9 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.697 2.003 17768
4040 1 9 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.307 -0.307 17768
4041 1 9 . 1 1 14 14 GLN H H 11 7.390 7.390 8.091 -0.701 17768
4042 1 9 . 1 1 15 15 LYS N N 12 116.200 116.200 120.926 -4.726 17768
4043 1 9 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.041 -0.421 17768
4044 1 9 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.093 -0.792 17768
4045 1 9 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.046 -0.246 17768
4046 1 9 . 1 1 15 15 LYS H H 12 7.470 7.470 7.382 0.088 17768
4047 1 9 . 1 1 16 16 ALA N N 13 121.700 121.700 121.177 0.523 17768
4048 1 9 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.224 -0.054 17768
4049 1 9 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.063 0.337 17768
4050 1 9 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.446 1.154 17768
4051 1 9 . 1 1 16 16 ALA H H 13 8.560 8.560 8.167 0.393 17768
4052 1 9 . 1 1 17 17 THR N N 14 108.700 108.700 116.583 -7.883 17768
4053 1 9 . 1 1 17 17 THR HA H 14 3.650 3.650 4.387 -0.737 17768
4054 1 9 . 1 1 17 17 THR CA C 14 66.500 66.500 66.371 0.129 17768
4055 1 9 . 1 1 17 17 THR CB C 14 69.300 69.300 68.609 0.691 17768
4056 1 9 . 1 1 17 17 THR H H 14 8.210 8.210 8.049 0.161 17768
4057 1 9 . 1 1 18 18 VAL N N 15 122.600 122.600 121.393 1.207 17768
4058 1 9 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.759 -0.359 17768
4059 1 9 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.753 1.647 17768
4060 1 9 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.183 0.317 17768
4061 1 9 . 1 1 18 18 VAL H H 15 7.570 7.570 8.357 -0.787 17768
4062 1 9 . 1 1 19 19 GLU N N 16 117.400 117.400 120.193 -2.793 17768
4063 1 9 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.291 -0.121 17768
4064 1 9 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.717 -0.017 17768
4065 1 9 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.623 -0.423 17768
4066 1 9 . 1 1 19 19 GLU H H 16 7.560 7.560 8.113 -0.553 17768
4067 1 9 . 1 1 20 20 ASN N N 17 120.900 120.900 118.691 2.209 17768
4068 1 9 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.677 -0.447 17768
4069 1 9 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.232 0.968 17768
4070 1 9 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.181 -0.281 17768
4071 1 9 . 1 1 20 20 ASN H H 17 8.150 8.150 8.117 0.033 17768
4072 1 9 . 1 1 21 21 LEU N N 18 119.500 119.500 120.641 -1.141 17768
4073 1 9 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.200 -0.280 17768
4074 1 9 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.601 2.499 17768
4075 1 9 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.844 0.756 17768
4076 1 9 . 1 1 21 21 LEU H H 18 8.500 8.500 8.132 0.368 17768
4077 1 9 . 1 1 22 22 GLU N N 19 112.100 112.100 116.266 -4.166 17768
4078 1 9 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.203 0.397 17768
4079 1 9 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.080 0.620 17768
4080 1 9 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.319 -0.119 17768
4081 1 9 . 1 1 22 22 GLU H H 19 8.450 8.450 8.333 0.117 17768
4082 1 9 . 1 1 23 23 SER N N 20 110.300 110.300 114.898 -4.598 17768
4083 1 9 . 1 1 23 23 SER HA H 20 4.490 4.490 4.549 -0.059 17768
4084 1 9 . 1 1 23 23 SER CA C 20 58.600 58.600 60.306 -1.706 17768
4085 1 9 . 1 1 23 23 SER H H 20 7.570 7.570 7.999 -0.429 17768
4086 1 9 . 1 1 24 24 TYR N N 21 125.300 125.300 125.038 0.262 17768
4087 1 9 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.176 0.404 17768
4088 1 9 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.183 2.517 17768
4089 1 9 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.474 -0.074 17768
4090 1 9 . 1 1 24 24 TYR H H 21 7.560 7.560 8.227 -0.667 17768
4091 1 9 . 1 1 25 25 GLN N N 22 130.000 130.000 127.551 2.449 17768
4092 1 9 . 1 1 25 25 GLN HA H 22 3.850 3.850 4.008 -0.158 17768
4093 1 9 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.360 1.440 17768
4094 1 9 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.077 0.223 17768
4095 1 9 . 1 1 25 25 GLN H H 22 8.710 8.710 8.209 0.501 17768
4096 1 9 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.098 -0.088 17768
4097 1 9 . 1 1 27 27 LEU N N 24 112.400 112.400 117.772 -5.372 17768
4098 1 9 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.151 0.059 17768
4099 1 9 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.767 0.533 17768
4100 1 9 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.199 0.901 17768
4101 1 9 . 1 1 27 27 LEU H H 24 6.720 6.720 7.507 -0.787 17768
4102 1 9 . 1 1 28 28 MET N N 25 116.900 116.900 115.738 1.162 17768
4103 1 9 . 1 1 28 28 MET HA H 25 4.510 4.510 4.182 0.328 17768
4104 1 9 . 1 1 28 28 MET CA C 25 55.900 55.900 58.473 -2.573 17768
4105 1 9 . 1 1 28 28 MET CB C 25 29.100 29.100 32.725 -3.625 17768
4106 1 9 . 1 1 28 28 MET H H 25 7.620 7.620 7.293 0.327 17768
4107 1 9 . 1 1 29 29 GLU N N 26 116.100 116.100 116.703 -0.603 17768
4108 1 9 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.285 -0.145 17768
4109 1 9 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.711 0.689 17768
4110 1 9 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.683 0.617 17768
4111 1 9 . 1 1 29 29 GLU H H 26 8.060 8.060 7.860 0.200 17768
4112 1 9 . 1 1 30 30 MET N N 27 115.100 115.100 116.774 -1.674 17768
4113 1 9 . 1 1 30 30 MET HA H 27 4.450 4.450 4.542 -0.092 17768
4114 1 9 . 1 1 30 30 MET CA C 27 57.000 57.000 55.373 1.627 17768
4115 1 9 . 1 1 30 30 MET CB C 27 36.500 36.500 34.267 2.233 17768
4116 1 9 . 1 1 30 30 MET H H 27 7.920 7.920 7.268 0.652 17768
4117 1 9 . 1 1 31 31 VAL N N 28 107.100 107.100 118.570 -11.470 17768
4118 1 9 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.314 0.396 17768
4119 1 9 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.425 -1.825 17768
4120 1 9 . 1 1 31 31 VAL CB C 28 36.500 36.500 35.336 1.164 17768
4121 1 9 . 1 1 31 31 VAL H H 28 7.180 7.180 8.117 -0.937 17768
4122 1 9 . 1 1 32 32 ASN N N 29 115.300 115.300 123.565 -8.265 17768
4123 1 9 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.875 -0.175 17768
4124 1 9 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.148 1.652 17768
4125 1 9 . 1 1 32 32 ASN CB C 29 40.400 40.400 40.141 0.260 17768
4126 1 9 . 1 1 32 32 ASN H H 29 8.670 8.670 8.727 -0.057 17768
4127 1 9 . 1 1 33 33 GLN N N 30 108.900 108.900 118.651 -9.751 17768
4128 1 9 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.561 0.059 17768
4129 1 9 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.710 0.890 17768
4130 1 9 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.525 0.875 17768
4131 1 9 . 1 1 33 33 GLN H H 30 7.190 7.190 8.465 -1.275 17768
4132 1 9 . 1 1 34 34 VAL N N 31 122.000 122.000 121.554 0.446 17768
4133 1 9 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.664 0.246 17768
4134 1 9 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.790 0.810 17768
4135 1 9 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.260 1.540 17768
4136 1 9 . 1 1 34 34 VAL H H 31 8.860 8.860 7.986 0.874 17768
4137 1 9 . 1 1 35 35 THR N N 32 119.200 119.200 123.695 -4.495 17768
4138 1 9 . 1 1 35 35 THR HA H 32 4.900 4.900 4.732 0.168 17768
4139 1 9 . 1 1 35 35 THR CA C 32 59.100 59.100 60.819 -1.719 17768
4140 1 9 . 1 1 35 35 THR CB C 32 70.100 70.100 71.728 -1.628 17768
4141 1 9 . 1 1 35 35 THR H H 32 8.910 8.910 8.962 -0.052 17768
4142 1 9 . 1 1 36 36 GLU H H 33 8.200 8.200 8.753 -0.553 17768
4143 1 9 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.616 -0.496 17768
4144 1 9 . 1 1 39 39 GLY N N 36 111.100 111.100 108.669 2.431 17768
4145 1 9 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.707 -1.007 17768
4146 1 9 . 1 1 39 39 GLY H H 36 8.570 8.570 8.155 0.415 17768
4147 1 9 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.293 -0.473 17768
4148 1 9 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.596 1.204 17768
4149 1 9 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.541 0.059 17768
4150 1 9 . 1 1 40 40 LYS H H 37 7.070 7.070 8.385 -1.315 17768
4151 1 9 . 1 1 41 41 ASP N N 38 116.100 116.100 115.142 0.958 17768
4152 1 9 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.523 0.047 17768
4153 1 9 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.939 0.561 17768
4154 1 9 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.189 0.611 17768
4155 1 9 . 1 1 41 41 ASP H H 38 8.250 8.250 8.212 0.038 17768
4156 1 9 . 1 1 42 42 ASP N N 39 123.300 123.300 122.644 0.656 17768
4157 1 9 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.743 -0.293 17768
4158 1 9 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.127 1.373 17768
4159 1 9 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.844 -1.544 17768
4160 1 9 . 1 1 42 42 ASP H H 39 7.070 7.070 7.178 -0.108 17768
4161 1 9 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.275 0.025 17768
4162 1 9 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.066 -0.566 17768
4163 1 9 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.249 -0.149 17768
4164 1 9 . 1 1 44 44 TYR N N 41 122.700 122.700 121.151 1.549 17768
4165 1 9 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.821 -0.221 17768
4166 1 9 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.342 -1.242 17768
4167 1 9 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.505 -1.005 17768
4168 1 9 . 1 1 44 44 TYR H H 41 8.200 8.200 8.448 -0.248 17768
4169 1 9 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.050 0.550 17768
4170 1 9 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.659 -0.159 17768
4171 1 9 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.630 2.470 17768
4172 1 9 . 1 1 46 46 TYR N N 43 113.000 113.000 116.344 -3.344 17768
4173 1 9 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.753 0.407 17768
4174 1 9 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.568 1.132 17768
4175 1 9 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.919 0.981 17768
4176 1 9 . 1 1 46 46 TYR H H 43 8.640 8.640 8.847 -0.207 17768
4177 1 9 . 1 1 47 47 VAL N N 44 118.300 118.300 119.598 -1.298 17768
4178 1 9 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.642 0.858 17768
4179 1 9 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.795 0.005 17768
4180 1 9 . 1 1 47 47 VAL CB C 44 35.300 35.300 36.232 -0.932 17768
4181 1 9 . 1 1 47 47 VAL H H 44 8.210 8.210 8.021 0.189 17768
4182 1 9 . 1 1 48 48 VAL N N 45 127.100 127.100 119.740 7.360 17768
4183 1 9 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.478 0.032 17768
4184 1 9 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.940 0.760 17768
4185 1 9 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.066 0.233 17768
4186 1 9 . 1 1 48 48 VAL H H 45 9.960 9.960 8.715 1.245 17768
4187 1 9 . 1 1 49 49 ILE N N 46 126.500 126.500 122.747 3.753 17768
4188 1 9 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.870 -0.880 17768
4189 1 9 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.006 0.894 17768
4190 1 9 . 1 1 49 49 ILE CB C 46 38.200 38.200 39.585 -1.385 17768
4191 1 9 . 1 1 49 49 ILE H H 46 8.160 8.160 8.155 0.005 17768
4192 1 9 . 1 1 50 50 GLY N N 47 116.200 116.200 113.190 3.010 17768
4193 1 9 . 1 1 50 50 GLY CA C 47 44.900 44.900 46.096 -1.196 17768
4194 1 9 . 1 1 50 50 GLY H H 47 8.100 8.100 8.930 -0.830 17768
4195 1 9 . 1 1 51 51 ASP N N 48 118.000 118.000 119.822 -1.822 17768
4196 1 9 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.823 -0.333 17768
4197 1 9 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.721 2.179 17768
4198 1 9 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.299 -0.799 17768
4199 1 9 . 1 1 51 51 ASP H H 48 8.150 8.150 8.253 -0.103 17768
4200 1 9 . 1 1 52 52 GLN N N 49 118.000 118.000 121.711 -3.711 17768
4201 1 9 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.065 0.845 17768
4202 1 9 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.484 -0.484 17768
4203 1 9 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.248 0.852 17768
4204 1 9 . 1 1 52 52 GLN H H 49 8.400 8.400 8.635 -0.235 17768
4205 1 9 . 1 1 53 53 SER N N 50 115.900 115.900 122.312 -6.412 17768
4206 1 9 . 1 1 53 53 SER CA C 50 58.200 58.200 60.378 -2.178 17768
4207 1 9 . 1 1 53 53 SER CB C 50 64.700 64.700 63.189 1.511 17768
4208 1 9 . 1 1 53 53 SER H H 50 8.770 8.770 8.933 -0.163 17768
4209 1 9 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.741 -0.441 17768
4210 1 9 . 1 1 57 57 PHE N N 54 126.200 126.200 123.204 2.996 17768
4211 1 9 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.731 0.129 17768
4212 1 9 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.356 -4.256 17768
4213 1 9 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.330 -0.930 17768
4214 1 9 . 1 1 57 57 PHE H H 54 8.620 8.620 8.386 0.234 17768
4215 1 9 . 1 1 59 59 THR HA H 56 4.910 4.910 4.460 0.450 17768
4216 1 9 . 1 1 60 60 LYS N N 57 123.900 123.900 129.511 -5.611 17768
4217 1 9 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.355 0.315 17768
4218 1 9 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.004 0.896 17768
4219 1 9 . 1 1 60 60 LYS CB C 57 31.400 31.400 30.979 0.421 17768
4220 1 9 . 1 1 60 60 LYS H H 57 8.760 8.760 8.776 -0.016 17768
4221 1 9 . 1 1 61 61 SER N N 58 113.900 113.900 115.217 -1.317 17768
4222 1 9 . 1 1 61 61 SER HA H 58 4.690 4.690 4.638 0.052 17768
4223 1 9 . 1 1 61 61 SER CA C 58 55.000 55.000 58.077 -3.076 17768
4224 1 9 . 1 1 61 61 SER CB C 58 63.000 63.000 63.615 -0.615 17768
4225 1 9 . 1 1 61 61 SER H H 58 8.400 8.400 7.939 0.461 17768
4226 1 9 . 1 1 66 66 ASN N N 63 117.100 117.100 118.512 -1.412 17768
4227 1 9 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.617 0.043 17768
4228 1 9 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.586 0.514 17768
4229 1 9 . 1 1 66 66 ASN CB C 63 41.400 41.400 42.441 -1.041 17768
4230 1 9 . 1 1 66 66 ASN H H 63 8.260 8.260 7.995 0.265 17768
4231 1 9 . 1 1 67 67 ILE N N 64 120.300 120.300 118.533 1.767 17768
4232 1 9 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.506 0.114 17768
4233 1 9 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.753 0.547 17768
4234 1 9 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.719 1.481 17768
4235 1 9 . 1 1 67 67 ILE H H 64 8.910 8.910 8.303 0.607 17768
4236 1 9 . 1 1 68 68 THR N N 65 124.100 124.100 121.163 2.937 17768
4237 1 9 . 1 1 68 68 THR HA H 65 5.490 5.490 4.931 0.559 17768
4238 1 9 . 1 1 68 68 THR CA C 65 61.900 61.900 60.865 1.035 17768
4239 1 9 . 1 1 68 68 THR CB C 65 70.200 70.200 70.256 -0.056 17768
4240 1 9 . 1 1 68 68 THR H H 65 8.940 8.940 8.294 0.646 17768
4241 1 9 . 1 1 69 69 MET N N 66 126.700 126.700 128.549 -1.849 17768
4242 1 9 . 1 1 69 69 MET HA H 66 5.050 5.050 4.545 0.505 17768
4243 1 9 . 1 1 69 69 MET CA C 66 55.100 55.100 54.775 0.325 17768
4244 1 9 . 1 1 69 69 MET CB C 66 38.100 38.100 36.680 1.420 17768
4245 1 9 . 1 1 69 69 MET H H 66 9.200 9.200 9.210 -0.010 17768
4246 1 9 . 1 1 70 70 ASP N N 67 123.500 123.500 123.448 0.052 17768
4247 1 9 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.251 0.159 17768
4248 1 9 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.854 0.146 17768
4249 1 9 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.084 -0.584 17768
4250 1 9 . 1 1 70 70 ASP H H 67 7.720 7.720 8.150 -0.430 17768
4251 1 9 . 1 1 71 71 PHE N N 68 116.900 116.900 118.807 -1.907 17768
4252 1 9 . 1 1 71 71 PHE HA H 68 4.830 4.830 4.890 -0.060 17768
4253 1 9 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.522 1.478 17768
4254 1 9 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.561 1.439 17768
4255 1 9 . 1 1 71 71 PHE H H 68 9.130 9.130 9.073 0.057 17768
4256 1 9 . 1 1 72 72 HIS N N 69 120.400 120.400 121.277 -0.877 17768
4257 1 9 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.034 0.396 17768
4258 1 9 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.599 0.601 17768
4259 1 9 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.098 4.002 17768
4260 1 9 . 1 1 72 72 HIS H H 69 9.350 9.350 8.968 0.382 17768
4261 1 9 . 1 1 73 73 VAL N N 70 124.900 124.900 116.591 8.309 17768
4262 1 9 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.535 -0.095 17768
4263 1 9 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.763 2.237 17768
4264 1 9 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.375 -0.075 17768
4265 1 9 . 1 1 73 73 VAL H H 70 9.610 9.610 8.664 0.946 17768
4266 1 9 . 1 1 74 74 TRP N N 71 129.500 129.500 125.281 4.219 17768
4267 1 9 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.087 -0.147 17768
4268 1 9 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.555 0.245 17768
4269 1 9 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.455 -2.455 17768
4270 1 9 . 1 1 74 74 TRP H H 71 8.790 8.790 8.736 0.054 17768
4271 1 9 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.223 0.177 17768
4272 1 9 . 1 1 76 76 GLY N N 73 105.500 105.500 106.262 -0.762 17768
4273 1 9 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.519 -0.719 17768
4274 1 9 . 1 1 76 76 GLY H H 73 8.710 8.710 8.306 0.404 17768
4275 1 9 . 1 1 77 77 THR N N 74 114.200 114.200 113.997 0.203 17768
4276 1 9 . 1 1 77 77 THR HA H 74 4.460 4.460 4.282 0.178 17768
4277 1 9 . 1 1 77 77 THR CA C 74 62.700 62.700 62.538 0.162 17768
4278 1 9 . 1 1 77 77 THR CB C 74 70.000 70.000 69.175 0.825 17768
4279 1 9 . 1 1 77 77 THR H H 74 9.010 9.010 8.444 0.566 17768
4280 1 9 . 1 1 78 78 THR N N 75 110.800 110.800 115.878 -5.078 17768
4281 1 9 . 1 1 78 78 THR CA C 75 59.100 59.100 61.254 -2.154 17768
4282 1 9 . 1 1 78 78 THR H H 75 7.960 7.960 7.739 0.221 17768
4283 1 9 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.935 1.365 17768
4284 1 9 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.669 -0.069 17768
4285 1 9 . 1 1 80 80 ALA N N 77 120.500 120.500 121.511 -1.011 17768
4286 1 9 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.190 -0.170 17768
4287 1 9 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.409 0.991 17768
4288 1 9 . 1 1 80 80 ALA CB C 77 18.700 18.700 17.870 0.830 17768
4289 1 9 . 1 1 80 80 ALA H H 77 8.290 8.290 8.333 -0.043 17768
4290 1 9 . 1 1 81 81 GLU N N 78 118.800 118.800 119.186 -0.386 17768
4291 1 9 . 1 1 81 81 GLU HA H 78 4.040 4.040 3.992 0.048 17768
4292 1 9 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.442 0.258 17768
4293 1 9 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.400 1.100 17768
4294 1 9 . 1 1 81 81 GLU H H 78 7.930 7.930 7.969 -0.039 17768
4295 1 9 . 1 1 82 82 ALA N N 79 119.700 119.700 121.038 -1.338 17768
4296 1 9 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.139 -0.259 17768
4297 1 9 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.215 0.285 17768
4298 1 9 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.207 0.193 17768
4299 1 9 . 1 1 82 82 ALA H H 79 7.470 7.470 7.741 -0.271 17768
4300 1 9 . 1 1 83 83 GLN N N 80 120.700 120.700 117.317 3.383 17768
4301 1 9 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.117 -0.287 17768
4302 1 9 . 1 1 83 83 GLN CA C 80 59.200 59.200 57.911 1.289 17768
4303 1 9 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.122 0.578 17768
4304 1 9 . 1 1 83 83 GLN H H 80 8.690 8.690 7.649 1.041 17768
4305 1 9 . 1 1 84 84 ASP N N 81 123.100 123.100 121.472 1.628 17768
4306 1 9 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.450 -0.080 17768
4307 1 9 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.404 1.096 17768
4308 1 9 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.989 -0.689 17768
4309 1 9 . 1 1 84 84 ASP H H 81 8.480 8.480 7.965 0.515 17768
4310 1 9 . 1 1 85 85 ILE N N 82 119.300 119.300 116.348 2.952 17768
4311 1 9 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.756 -0.216 17768
4312 1 9 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.951 1.748 17768
4313 1 9 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.524 0.976 17768
4314 1 9 . 1 1 85 85 ILE H H 82 8.340 8.340 8.254 0.086 17768
4315 1 9 . 1 1 86 86 SER N N 83 114.800 114.800 115.754 -0.954 17768
4316 1 9 . 1 1 86 86 SER HA H 83 4.560 4.560 4.012 0.548 17768
4317 1 9 . 1 1 86 86 SER CA C 83 63.500 63.500 61.795 1.705 17768
4318 1 9 . 1 1 86 86 SER H H 83 7.880 7.880 7.890 -0.010 17768
4319 1 9 . 1 1 87 87 SER N N 84 117.400 117.400 117.422 -0.022 17768
4320 1 9 . 1 1 87 87 SER HA H 84 4.400 4.400 4.159 0.241 17768
4321 1 9 . 1 1 87 87 SER CA C 84 58.100 58.100 61.669 -3.569 17768
4322 1 9 . 1 1 87 87 SER H H 84 8.320 8.320 8.158 0.162 17768
4323 1 9 . 1 1 88 88 ARG N N 85 121.100 121.100 121.724 -0.624 17768
4324 1 9 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.223 -0.133 17768
4325 1 9 . 1 1 88 88 ARG CA C 85 58.700 58.700 59.046 -0.346 17768
4326 1 9 . 1 1 88 88 ARG H H 85 7.780 7.780 7.838 -0.058 17768
4327 1 9 . 1 1 89 89 VAL N N 86 121.200 121.200 120.996 0.204 17768
4328 1 9 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.658 -0.298 17768
4329 1 9 . 1 1 89 89 VAL CA C 86 67.500 67.500 65.877 1.623 17768
4330 1 9 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.617 -0.617 17768
4331 1 9 . 1 1 89 89 VAL H H 86 8.190 8.190 8.006 0.184 17768
4332 1 9 . 1 1 90 90 LEU N N 87 117.500 117.500 120.963 -3.463 17768
4333 1 9 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.897 -0.207 17768
4334 1 9 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.296 0.004 17768
4335 1 9 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.089 0.211 17768
4336 1 9 . 1 1 90 90 LEU H H 87 7.330 7.330 8.395 -1.065 17768
4337 1 9 . 1 1 91 91 GLU N N 88 118.500 118.500 119.563 -1.063 17768
4338 1 9 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.857 -0.237 17768
4339 1 9 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.029 0.071 17768
4340 1 9 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.497 1.103 17768
4341 1 9 . 1 1 91 91 GLU H H 88 7.810 7.810 7.983 -0.173 17768
4342 1 9 . 1 1 92 92 ALA N N 89 121.800 121.800 120.406 1.394 17768
4343 1 9 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.891 -0.831 17768
4344 1 9 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.944 -0.544 17768
4345 1 9 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.983 1.217 17768
4346 1 9 . 1 1 92 92 ALA H H 89 7.820 7.820 7.553 0.267 17768
4347 1 9 . 1 1 93 93 LEU N N 90 113.600 113.600 116.111 -2.511 17768
4348 1 9 . 1 1 93 93 LEU HA H 90 4.020 4.020 3.988 0.032 17768
4349 1 9 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.528 -0.327 17768
4350 1 9 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.928 1.772 17768
4351 1 9 . 1 1 93 93 LEU H H 90 7.570 7.570 7.931 -0.361 17768
4352 1 9 . 1 1 94 94 THR N N 91 102.400 102.400 109.795 -7.395 17768
4353 1 9 . 1 1 94 94 THR HA H 91 4.510 4.510 4.336 0.174 17768
4354 1 9 . 1 1 94 94 THR CA C 91 61.500 61.500 62.913 -1.413 17768
4355 1 9 . 1 1 94 94 THR CB C 91 71.300 71.300 68.914 2.386 17768
4356 1 9 . 1 1 94 94 THR H H 91 7.280 7.280 7.636 -0.356 17768
4357 1 9 . 1 1 95 95 TYR N N 92 123.600 123.600 125.215 -1.615 17768
4358 1 9 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.327 0.003 17768
4359 1 9 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.421 0.279 17768
4360 1 9 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.368 -1.768 17768
4361 1 9 . 1 1 95 95 TYR H H 92 7.900 7.900 7.959 -0.059 17768
4362 1 9 . 1 1 96 96 LYS N N 93 117.500 117.500 119.545 -2.045 17768
4363 1 9 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.510 0.040 17768
4364 1 9 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.944 0.756 17768
4365 1 9 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.567 0.933 17768
4366 1 9 . 1 1 96 96 LYS H H 93 7.000 7.000 7.398 -0.398 17768
4367 1 9 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.334 0.036 17768
4368 1 9 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.282 1.318 17768
4369 1 9 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.463 0.237 17768
4370 1 9 . 1 1 98 98 LEU N N 95 125.400 125.400 123.492 1.908 17768
4371 1 9 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.367 0.253 17768
4372 1 9 . 1 1 98 98 LEU CA C 95 53.800 53.800 55.006 -1.206 17768
4373 1 9 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.013 2.587 17768
4374 1 9 . 1 1 98 98 LEU H H 95 8.380 8.380 8.591 -0.211 17768
4375 1 9 . 1 1 99 99 MET N N 96 123.100 123.100 123.665 -0.565 17768
4376 1 9 . 1 1 99 99 MET HA H 96 5.480 5.480 5.302 0.178 17768
4377 1 9 . 1 1 99 99 MET CA C 96 55.200 55.200 54.516 0.684 17768
4378 1 9 . 1 1 99 99 MET CB C 96 37.200 37.200 36.888 0.312 17768
4379 1 9 . 1 1 99 99 MET H H 96 8.480 8.480 8.342 0.138 17768
4380 1 9 . 1 1 100 100 PHE N N 97 122.900 122.900 125.296 -2.396 17768
4381 1 9 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.900 -0.510 17768
4382 1 9 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.962 2.338 17768
4383 1 9 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.610 1.490 17768
4384 1 9 . 1 1 100 100 PHE H H 97 8.640 8.640 9.056 -0.416 17768
4385 1 9 . 1 1 101 101 GLU N N 98 125.300 125.300 125.233 0.067 17768
4386 1 9 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.489 -0.059 17768
4387 1 9 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.384 1.816 17768
4388 1 9 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.888 0.512 17768
4389 1 9 . 1 1 101 101 GLU H H 98 8.640 8.640 8.784 -0.144 17768
4390 1 9 . 1 1 102 102 GLY N N 99 107.100 107.100 102.193 4.907 17768
4391 1 9 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.700 1.000 17768
4392 1 9 . 1 1 102 102 GLY H H 99 8.250 8.250 7.725 0.525 17768
4393 1 9 . 1 1 103 103 PHE N N 100 120.200 120.200 122.963 -2.763 17768
4394 1 9 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.658 0.072 17768
4395 1 9 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.680 2.220 17768
4396 1 9 . 1 1 103 103 PHE CB C 100 43.000 43.000 38.669 4.331 17768
4397 1 9 . 1 1 103 103 PHE H H 100 8.310 8.310 7.552 0.758 17768
4398 1 9 . 1 1 104 104 THR N N 101 116.100 116.100 115.031 1.069 17768
4399 1 9 . 1 1 104 104 THR HA H 101 4.970 4.970 4.982 -0.012 17768
4400 1 9 . 1 1 104 104 THR CA C 101 61.900 61.900 60.382 1.518 17768
4401 1 9 . 1 1 104 104 THR CB C 101 71.400 71.400 70.322 1.078 17768
4402 1 9 . 1 1 104 104 THR H H 101 8.250 8.250 8.445 -0.195 17768
4403 1 9 . 1 1 105 105 PHE N N 102 123.200 123.200 122.844 0.356 17768
4404 1 9 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.539 0.071 17768
4405 1 9 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.788 -0.188 17768
4406 1 9 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.765 1.835 17768
4407 1 9 . 1 1 105 105 PHE H H 102 8.840 8.840 8.017 0.823 17768
4408 1 9 . 1 1 106 106 VAL N N 103 120.000 120.000 123.256 -3.256 17768
4409 1 9 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.515 -0.015 17768
4410 1 9 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.591 0.609 17768
4411 1 9 . 1 1 106 106 VAL CB C 103 35.200 35.200 36.031 -0.831 17768
4412 1 9 . 1 1 106 106 VAL H H 103 8.460 8.460 8.803 -0.343 17768
4413 1 9 . 1 1 107 107 ALA N N 104 130.400 130.400 128.875 1.525 17768
4414 1 9 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.764 -0.924 17768
4415 1 9 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.793 0.607 17768
4416 1 9 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.364 -1.565 17768
4417 1 9 . 1 1 107 107 ALA H H 104 9.210 9.210 8.691 0.519 17768
4418 1 9 . 1 1 108 108 LYS N N 105 127.100 127.100 126.751 0.349 17768
4419 1 9 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.404 -0.174 17768
4420 1 9 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.539 -0.339 17768
4421 1 9 . 1 1 108 108 LYS H H 105 8.670 8.670 8.441 0.229 17768
4422 1 9 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.427 0.073 17768
4423 1 9 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.324 0.876 17768
4424 1 9 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.907 0.593 17768
4425 1 9 . 1 1 116 116 ILE N N 113 125.200 125.200 127.121 -1.921 17768
4426 1 9 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.450 0.070 17768
4427 1 9 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.914 -0.014 17768
4428 1 9 . 1 1 116 116 ILE CB C 113 41.700 41.700 41.205 0.495 17768
4429 1 9 . 1 1 116 116 ILE H H 113 8.760 8.760 8.543 0.217 17768
4430 1 9 . 1 1 117 117 THR N N 114 119.000 119.000 121.887 -2.887 17768
4431 1 9 . 1 1 117 117 THR HA H 114 4.560 4.560 4.662 -0.102 17768
4432 1 9 . 1 1 117 117 THR CA C 114 62.300 62.300 60.853 1.447 17768
4433 1 9 . 1 1 117 117 THR CB C 114 69.400 69.400 68.952 0.448 17768
4434 1 9 . 1 1 117 117 THR H H 114 8.380 8.380 8.494 -0.114 17768
4435 1 9 . 1 1 118 118 ASP N N 115 126.200 126.200 126.717 -0.517 17768
4436 1 9 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.857 -0.207 17768
4437 1 9 . 1 1 118 118 ASP CA C 115 54.500 54.500 52.580 1.920 17768
4438 1 9 . 1 1 118 118 ASP CB C 115 43.300 43.300 41.349 1.952 17768
4439 1 9 . 1 1 118 118 ASP H H 115 8.920 8.920 8.173 0.747 17768
4440 1 9 . 1 1 119 119 THR HA H 116 3.990 3.990 4.056 -0.066 17768
4441 1 9 . 1 1 119 119 THR CA C 116 64.800 64.800 64.334 0.466 17768
4442 1 9 . 1 1 119 119 THR CB C 116 69.200 69.200 68.709 0.491 17768
4443 1 9 . 1 1 120 120 ASP N N 117 120.500 120.500 119.811 0.689 17768
4444 1 9 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.340 0.459 17768
4445 1 9 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.101 -1.401 17768
4446 1 9 . 1 1 120 120 ASP H H 117 8.360 8.360 8.200 0.160 17768
4447 1 9 . 1 1 121 121 GLY N N 118 108.600 108.600 108.805 -0.205 17768
4448 1 9 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.994 -0.194 17768
4449 1 9 . 1 1 121 121 GLY H H 118 8.310 8.310 8.048 0.262 17768
4450 1 9 . 1 1 122 122 VAL N N 119 118.600 118.600 120.535 -1.935 17768
4451 1 9 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.372 -0.172 17768
4452 1 9 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.980 2.220 17768
4453 1 9 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.290 2.710 17768
4454 1 9 . 1 1 122 122 VAL H H 119 8.500 8.500 7.539 0.961 17768
4455 1 9 . 1 1 123 123 THR N N 120 123.300 123.300 123.874 -0.574 17768
4456 1 9 . 1 1 123 123 THR HA H 120 4.030 4.030 4.710 -0.680 17768
4457 1 9 . 1 1 123 123 THR CA C 120 64.800 64.800 62.266 2.534 17768
4458 1 9 . 1 1 123 123 THR CB C 120 68.400 68.400 69.809 -1.409 17768
4459 1 9 . 1 1 123 123 THR H H 120 9.700 9.700 8.268 1.432 17768
4460 1 9 . 1 1 124 124 LYS N N 121 125.500 125.500 127.023 -1.523 17768
4461 1 9 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.713 -0.163 17768
4462 1 9 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.682 -1.383 17768
4463 1 9 . 1 1 124 124 LYS H H 121 8.650 8.650 8.712 -0.062 17768
4464 1 9 . 1 1 125 125 HIS N N 122 121.400 121.400 124.031 -2.631 17768
4465 1 9 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.928 0.152 17768
4466 1 9 . 1 1 125 125 HIS CA C 122 51.600 51.600 55.159 -3.559 17768
4467 1 9 . 1 1 125 125 HIS CB C 122 31.600 31.600 33.390 -1.790 17768
4468 1 9 . 1 1 125 125 HIS H H 122 8.580 8.580 8.692 -0.112 17768
4469 1 9 . 1 1 126 126 GLY N N 123 114.000 114.000 113.698 0.302 17768
4470 1 9 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.178 0.022 17768
4471 1 9 . 1 1 126 126 GLY H H 123 10.010 10.010 9.150 0.860 17768
4472 1 9 . 1 1 127 127 ILE N N 124 124.000 124.000 125.628 -1.628 17768
4473 1 9 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.771 -0.291 17768
4474 1 9 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.332 1.368 17768
4475 1 9 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.636 0.464 17768
4476 1 9 . 1 1 127 127 ILE H H 124 8.740 8.740 8.395 0.345 17768
4477 1 9 . 1 1 128 128 ILE N N 125 126.200 126.200 129.147 -2.947 17768
4478 1 9 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.551 0.229 17768
4479 1 9 . 1 1 128 128 ILE CA C 125 60.100 60.100 59.904 0.196 17768
4480 1 9 . 1 1 128 128 ILE CB C 125 41.800 41.800 42.128 -0.328 17768
4481 1 9 . 1 1 128 128 ILE H H 125 8.640 8.640 8.719 -0.079 17768
4482 1 9 . 1 1 129 129 LYS N N 126 126.300 126.300 130.422 -4.122 17768
4483 1 9 . 1 1 129 129 LYS HA H 126 5.410 5.410 5.069 0.341 17768
4484 1 9 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.831 0.768 17768
4485 1 9 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.954 0.146 17768
4486 1 9 . 1 1 129 129 LYS H H 126 8.990 8.990 8.306 0.684 17768
4487 1 9 . 1 1 130 130 VAL N N 127 126.300 126.300 123.930 2.370 17768
4488 1 9 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.757 -0.197 17768
4489 1 9 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.756 1.344 17768
4490 1 9 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.470 0.530 17768
4491 1 9 . 1 1 130 130 VAL H H 127 8.880 8.880 9.084 -0.204 17768
4492 1 9 . 1 1 131 131 ARG N N 128 126.600 126.600 126.507 0.093 17768
4493 1 9 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.970 -0.010 17768
4494 1 9 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.820 1.780 17768
4495 1 9 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.892 -1.292 17768
4496 1 9 . 1 1 131 131 ARG H H 128 8.720 8.720 8.362 0.358 17768
4497 1 9 . 1 1 132 132 PHE N N 129 125.700 125.700 123.475 2.225 17768
4498 1 9 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.427 0.183 17768
4499 1 9 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.067 0.533 17768
4500 1 9 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.760 -0.360 17768
4501 1 9 . 1 1 132 132 PHE H H 129 9.720 9.720 9.091 0.629 17768
4502 1 9 . 1 1 133 133 THR N N 130 114.700 114.700 116.648 -1.948 17768
4503 1 9 . 1 1 133 133 THR HA H 130 5.070 5.070 4.819 0.251 17768
4504 1 9 . 1 1 133 133 THR CA C 130 61.800 61.800 62.028 -0.228 17768
4505 1 9 . 1 1 133 133 THR CB C 130 71.100 71.100 70.637 0.463 17768
4506 1 9 . 1 1 133 133 THR H H 130 9.100 9.100 9.406 -0.306 17768
4507 1 9 . 1 1 134 134 ILE N N 131 123.000 123.000 126.082 -3.082 17768
4508 1 9 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.681 0.719 17768
4509 1 9 . 1 1 134 134 ILE H H 131 8.400 8.400 8.088 0.312 17768
4510 1 10 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.660 -0.420 17768
4511 1 10 . 1 1 6 6 TRP CB C 3 29.900 29.900 29.183 0.717 17768
4512 1 10 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.725 1.075 17768
4513 1 10 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.179 -1.479 17768
4514 1 10 . 1 1 9 9 ALA N N 6 122.500 122.500 122.247 0.253 17768
4515 1 10 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.240 -1.260 17768
4516 1 10 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.760 -1.060 17768
4517 1 10 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.473 0.327 17768
4518 1 10 . 1 1 9 9 ALA H H 6 8.150 8.150 7.943 0.207 17768
4519 1 10 . 1 1 10 10 SER N N 7 112.300 112.300 113.963 -1.663 17768
4520 1 10 . 1 1 10 10 SER HA H 7 3.660 3.660 4.028 -0.368 17768
4521 1 10 . 1 1 10 10 SER CA C 7 62.300 62.300 61.426 0.874 17768
4522 1 10 . 1 1 10 10 SER H H 7 7.910 7.910 8.110 -0.200 17768
4523 1 10 . 1 1 11 11 ARG N N 8 122.300 122.300 121.275 1.025 17768
4524 1 10 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.078 -0.128 17768
4525 1 10 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.532 0.068 17768
4526 1 10 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.334 -0.534 17768
4527 1 10 . 1 1 11 11 ARG H H 8 7.390 7.390 7.598 -0.208 17768
4528 1 10 . 1 1 12 12 ALA N N 9 121.500 121.500 120.924 0.576 17768
4529 1 10 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.812 0.058 17768
4530 1 10 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.323 0.677 17768
4531 1 10 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.621 1.579 17768
4532 1 10 . 1 1 12 12 ALA H H 9 7.720 7.720 8.194 -0.474 17768
4533 1 10 . 1 1 13 13 LEU N N 10 119.000 119.000 117.727 1.273 17768
4534 1 10 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.067 -1.157 17768
4535 1 10 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.428 0.172 17768
4536 1 10 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.720 -0.720 17768
4537 1 10 . 1 1 13 13 LEU H H 10 7.940 7.940 7.293 0.647 17768
4538 1 10 . 1 1 14 14 GLN N N 11 119.300 119.300 120.335 -1.035 17768
4539 1 10 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.954 -0.604 17768
4540 1 10 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.791 1.909 17768
4541 1 10 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.189 -0.189 17768
4542 1 10 . 1 1 14 14 GLN H H 11 7.390 7.390 7.918 -0.528 17768
4543 1 10 . 1 1 15 15 LYS N N 12 116.200 116.200 119.755 -3.555 17768
4544 1 10 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.120 -0.500 17768
4545 1 10 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.855 -0.555 17768
4546 1 10 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.224 0.576 17768
4547 1 10 . 1 1 15 15 LYS H H 12 7.470 7.470 7.594 -0.124 17768
4548 1 10 . 1 1 16 16 ALA N N 13 121.700 121.700 122.568 -0.868 17768
4549 1 10 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.171 -0.001 17768
4550 1 10 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.211 0.189 17768
4551 1 10 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.491 1.109 17768
4552 1 10 . 1 1 16 16 ALA H H 13 8.560 8.560 7.893 0.667 17768
4553 1 10 . 1 1 17 17 THR N N 14 108.700 108.700 113.863 -5.163 17768
4554 1 10 . 1 1 17 17 THR HA H 14 3.650 3.650 4.151 -0.501 17768
4555 1 10 . 1 1 17 17 THR CA C 14 66.500 66.500 65.984 0.516 17768
4556 1 10 . 1 1 17 17 THR CB C 14 69.300 69.300 68.879 0.421 17768
4557 1 10 . 1 1 17 17 THR H H 14 8.210 8.210 8.000 0.210 17768
4558 1 10 . 1 1 18 18 VAL N N 15 122.600 122.600 122.796 -0.196 17768
4559 1 10 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.816 -0.416 17768
4560 1 10 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.916 1.484 17768
4561 1 10 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.887 -0.387 17768
4562 1 10 . 1 1 18 18 VAL H H 15 7.570 7.570 8.563 -0.993 17768
4563 1 10 . 1 1 19 19 GLU N N 16 117.400 117.400 119.800 -2.400 17768
4564 1 10 . 1 1 19 19 GLU HA H 16 4.170 4.170 3.995 0.175 17768
4565 1 10 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.681 0.019 17768
4566 1 10 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.607 -0.407 17768
4567 1 10 . 1 1 19 19 GLU H H 16 7.560 7.560 8.697 -1.137 17768
4568 1 10 . 1 1 20 20 ASN N N 17 120.900 120.900 119.828 1.072 17768
4569 1 10 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.651 -0.421 17768
4570 1 10 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.071 1.129 17768
4571 1 10 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.242 -0.342 17768
4572 1 10 . 1 1 20 20 ASN H H 17 8.150 8.150 8.089 0.061 17768
4573 1 10 . 1 1 21 21 LEU N N 18 119.500 119.500 118.007 1.493 17768
4574 1 10 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.168 -0.248 17768
4575 1 10 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.539 2.561 17768
4576 1 10 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.890 0.710 17768
4577 1 10 . 1 1 21 21 LEU H H 18 8.500 8.500 8.267 0.233 17768
4578 1 10 . 1 1 22 22 GLU N N 19 112.100 112.100 117.625 -5.525 17768
4579 1 10 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.189 0.411 17768
4580 1 10 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.243 0.457 17768
4581 1 10 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.986 0.214 17768
4582 1 10 . 1 1 22 22 GLU H H 19 8.450 8.450 8.044 0.406 17768
4583 1 10 . 1 1 23 23 SER N N 20 110.300 110.300 114.548 -4.248 17768
4584 1 10 . 1 1 23 23 SER HA H 20 4.490 4.490 4.478 0.012 17768
4585 1 10 . 1 1 23 23 SER CA C 20 58.600 58.600 60.361 -1.761 17768
4586 1 10 . 1 1 23 23 SER H H 20 7.570 7.570 7.795 -0.225 17768
4587 1 10 . 1 1 24 24 TYR N N 21 125.300 125.300 125.054 0.246 17768
4588 1 10 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.142 0.438 17768
4589 1 10 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.441 2.259 17768
4590 1 10 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.788 -0.388 17768
4591 1 10 . 1 1 24 24 TYR H H 21 7.560 7.560 8.082 -0.522 17768
4592 1 10 . 1 1 25 25 GLN N N 22 130.000 130.000 128.482 1.518 17768
4593 1 10 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.908 -0.058 17768
4594 1 10 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.247 1.553 17768
4595 1 10 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.013 0.287 17768
4596 1 10 . 1 1 25 25 GLN H H 22 8.710 8.710 8.366 0.344 17768
4597 1 10 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.203 -0.193 17768
4598 1 10 . 1 1 27 27 LEU N N 24 112.400 112.400 120.609 -8.209 17768
4599 1 10 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.086 0.124 17768
4600 1 10 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.271 0.029 17768
4601 1 10 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.644 1.456 17768
4602 1 10 . 1 1 27 27 LEU H H 24 6.720 6.720 7.660 -0.940 17768
4603 1 10 . 1 1 28 28 MET N N 25 116.900 116.900 115.972 0.928 17768
4604 1 10 . 1 1 28 28 MET HA H 25 4.510 4.510 4.247 0.263 17768
4605 1 10 . 1 1 28 28 MET CA C 25 55.900 55.900 58.961 -3.061 17768
4606 1 10 . 1 1 28 28 MET CB C 25 29.100 29.100 32.344 -3.244 17768
4607 1 10 . 1 1 28 28 MET H H 25 7.620 7.620 7.597 0.023 17768
4608 1 10 . 1 1 29 29 GLU N N 26 116.100 116.100 116.857 -0.757 17768
4609 1 10 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.299 -0.159 17768
4610 1 10 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.365 1.034 17768
4611 1 10 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.418 0.882 17768
4612 1 10 . 1 1 29 29 GLU H H 26 8.060 8.060 7.627 0.433 17768
4613 1 10 . 1 1 30 30 MET N N 27 115.100 115.100 117.627 -2.527 17768
4614 1 10 . 1 1 30 30 MET HA H 27 4.450 4.450 4.442 0.008 17768
4615 1 10 . 1 1 30 30 MET CA C 27 57.000 57.000 56.239 0.761 17768
4616 1 10 . 1 1 30 30 MET CB C 27 36.500 36.500 34.772 1.728 17768
4617 1 10 . 1 1 30 30 MET H H 27 7.920 7.920 7.544 0.376 17768
4618 1 10 . 1 1 31 31 VAL N N 28 107.100 107.100 111.164 -4.064 17768
4619 1 10 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.600 0.110 17768
4620 1 10 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.955 -1.355 17768
4621 1 10 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.482 2.018 17768
4622 1 10 . 1 1 31 31 VAL H H 28 7.180 7.180 7.828 -0.648 17768
4623 1 10 . 1 1 32 32 ASN N N 29 115.300 115.300 120.202 -4.902 17768
4624 1 10 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.857 -0.157 17768
4625 1 10 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.777 2.023 17768
4626 1 10 . 1 1 32 32 ASN CB C 29 40.400 40.400 40.612 -0.212 17768
4627 1 10 . 1 1 32 32 ASN H H 29 8.670 8.670 8.640 0.030 17768
4628 1 10 . 1 1 33 33 GLN N N 30 108.900 108.900 119.398 -10.498 17768
4629 1 10 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.592 0.028 17768
4630 1 10 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.417 1.183 17768
4631 1 10 . 1 1 33 33 GLN CB C 30 30.400 30.400 27.849 2.551 17768
4632 1 10 . 1 1 33 33 GLN H H 30 7.190 7.190 8.079 -0.889 17768
4633 1 10 . 1 1 34 34 VAL N N 31 122.000 122.000 122.729 -0.729 17768
4634 1 10 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.825 0.085 17768
4635 1 10 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.372 0.228 17768
4636 1 10 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.249 2.551 17768
4637 1 10 . 1 1 34 34 VAL H H 31 8.860 8.860 7.701 1.159 17768
4638 1 10 . 1 1 35 35 THR N N 32 119.200 119.200 122.244 -3.044 17768
4639 1 10 . 1 1 35 35 THR HA H 32 4.900 4.900 4.737 0.163 17768
4640 1 10 . 1 1 35 35 THR CA C 32 59.100 59.100 59.619 -0.519 17768
4641 1 10 . 1 1 35 35 THR CB C 32 70.100 70.100 72.114 -2.014 17768
4642 1 10 . 1 1 35 35 THR H H 32 8.910 8.910 8.957 -0.047 17768
4643 1 10 . 1 1 36 36 GLU H H 33 8.200 8.200 9.042 -0.842 17768
4644 1 10 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.525 -0.405 17768
4645 1 10 . 1 1 39 39 GLY N N 36 111.100 111.100 111.746 -0.646 17768
4646 1 10 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.865 -1.165 17768
4647 1 10 . 1 1 39 39 GLY H H 36 8.570 8.570 8.886 -0.316 17768
4648 1 10 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.394 -0.574 17768
4649 1 10 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.462 0.338 17768
4650 1 10 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.993 0.607 17768
4651 1 10 . 1 1 40 40 LYS H H 37 7.070 7.070 7.590 -0.520 17768
4652 1 10 . 1 1 41 41 ASP N N 38 116.100 116.100 115.829 0.271 17768
4653 1 10 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.664 -0.094 17768
4654 1 10 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.910 0.590 17768
4655 1 10 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.611 1.188 17768
4656 1 10 . 1 1 41 41 ASP H H 38 8.250 8.250 8.309 -0.059 17768
4657 1 10 . 1 1 42 42 ASP N N 39 123.300 123.300 122.248 1.052 17768
4658 1 10 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.757 -0.307 17768
4659 1 10 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.116 1.384 17768
4660 1 10 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.297 -1.997 17768
4661 1 10 . 1 1 42 42 ASP H H 39 7.070 7.070 7.183 -0.113 17768
4662 1 10 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.086 0.214 17768
4663 1 10 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.147 0.353 17768
4664 1 10 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.457 -0.357 17768
4665 1 10 . 1 1 44 44 TYR N N 41 122.700 122.700 118.785 3.915 17768
4666 1 10 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.717 -0.117 17768
4667 1 10 . 1 1 44 44 TYR CA C 41 55.100 55.100 57.013 -1.913 17768
4668 1 10 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.946 -0.446 17768
4669 1 10 . 1 1 44 44 TYR H H 41 8.200 8.200 8.009 0.191 17768
4670 1 10 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.036 0.564 17768
4671 1 10 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.601 -0.101 17768
4672 1 10 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.055 3.045 17768
4673 1 10 . 1 1 46 46 TYR N N 43 113.000 113.000 116.614 -3.614 17768
4674 1 10 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.896 0.264 17768
4675 1 10 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.665 0.035 17768
4676 1 10 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.231 0.669 17768
4677 1 10 . 1 1 46 46 TYR H H 43 8.640 8.640 8.919 -0.279 17768
4678 1 10 . 1 1 47 47 VAL N N 44 118.300 118.300 120.413 -2.113 17768
4679 1 10 . 1 1 47 47 VAL HA H 44 5.500 5.500 5.065 0.435 17768
4680 1 10 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.478 0.322 17768
4681 1 10 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.727 -0.428 17768
4682 1 10 . 1 1 47 47 VAL H H 44 8.210 8.210 8.196 0.014 17768
4683 1 10 . 1 1 48 48 VAL N N 45 127.100 127.100 122.397 4.703 17768
4684 1 10 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.524 -0.014 17768
4685 1 10 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.744 0.956 17768
4686 1 10 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.417 -0.117 17768
4687 1 10 . 1 1 48 48 VAL H H 45 9.960 9.960 8.691 1.269 17768
4688 1 10 . 1 1 49 49 ILE N N 46 126.500 126.500 124.192 2.308 17768
4689 1 10 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.643 -0.653 17768
4690 1 10 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.262 0.638 17768
4691 1 10 . 1 1 49 49 ILE CB C 46 38.200 38.200 36.957 1.243 17768
4692 1 10 . 1 1 49 49 ILE H H 46 8.160 8.160 8.046 0.114 17768
4693 1 10 . 1 1 50 50 GLY N N 47 116.200 116.200 114.490 1.710 17768
4694 1 10 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.437 -0.537 17768
4695 1 10 . 1 1 50 50 GLY H H 47 8.100 8.100 8.247 -0.147 17768
4696 1 10 . 1 1 51 51 ASP N N 48 118.000 118.000 118.592 -0.592 17768
4697 1 10 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.917 -0.427 17768
4698 1 10 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.806 2.094 17768
4699 1 10 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.538 -2.038 17768
4700 1 10 . 1 1 51 51 ASP H H 48 8.150 8.150 8.344 -0.194 17768
4701 1 10 . 1 1 52 52 GLN N N 49 118.000 118.000 123.941 -5.941 17768
4702 1 10 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.522 0.388 17768
4703 1 10 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.720 -0.720 17768
4704 1 10 . 1 1 52 52 GLN CB C 49 31.100 31.100 28.773 2.327 17768
4705 1 10 . 1 1 52 52 GLN H H 49 8.400 8.400 8.479 -0.079 17768
4706 1 10 . 1 1 53 53 SER N N 50 115.900 115.900 119.498 -3.598 17768
4707 1 10 . 1 1 53 53 SER CA C 50 58.200 58.200 57.932 0.268 17768
4708 1 10 . 1 1 53 53 SER CB C 50 64.700 64.700 64.190 0.510 17768
4709 1 10 . 1 1 53 53 SER H H 50 8.770 8.770 8.384 0.386 17768
4710 1 10 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.401 -0.101 17768
4711 1 10 . 1 1 57 57 PHE N N 54 126.200 126.200 124.693 1.507 17768
4712 1 10 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.695 0.165 17768
4713 1 10 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.506 -3.406 17768
4714 1 10 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.009 -0.609 17768
4715 1 10 . 1 1 57 57 PHE H H 54 8.620 8.620 7.953 0.667 17768
4716 1 10 . 1 1 59 59 THR HA H 56 4.910 4.910 4.529 0.381 17768
4717 1 10 . 1 1 60 60 LYS N N 57 123.900 123.900 122.783 1.117 17768
4718 1 10 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.392 0.278 17768
4719 1 10 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.097 0.803 17768
4720 1 10 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.913 -1.513 17768
4721 1 10 . 1 1 60 60 LYS H H 57 8.760 8.760 8.411 0.349 17768
4722 1 10 . 1 1 61 61 SER N N 58 113.900 113.900 117.261 -3.361 17768
4723 1 10 . 1 1 61 61 SER HA H 58 4.690 4.690 4.317 0.373 17768
4724 1 10 . 1 1 61 61 SER CA C 58 55.000 55.000 59.136 -4.136 17768
4725 1 10 . 1 1 61 61 SER CB C 58 63.000 63.000 63.732 -0.732 17768
4726 1 10 . 1 1 61 61 SER H H 58 8.400 8.400 8.652 -0.252 17768
4727 1 10 . 1 1 66 66 ASN N N 63 117.100 117.100 117.587 -0.487 17768
4728 1 10 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.017 0.643 17768
4729 1 10 . 1 1 66 66 ASN CA C 63 53.100 53.100 53.299 -0.199 17768
4730 1 10 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.675 -0.275 17768
4731 1 10 . 1 1 66 66 ASN H H 63 8.260 8.260 7.677 0.583 17768
4732 1 10 . 1 1 67 67 ILE N N 64 120.300 120.300 122.508 -2.208 17768
4733 1 10 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.449 0.171 17768
4734 1 10 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.500 0.800 17768
4735 1 10 . 1 1 67 67 ILE CB C 64 43.200 43.200 39.144 4.056 17768
4736 1 10 . 1 1 67 67 ILE H H 64 8.910 8.910 8.992 -0.082 17768
4737 1 10 . 1 1 68 68 THR N N 65 124.100 124.100 121.719 2.381 17768
4738 1 10 . 1 1 68 68 THR HA H 65 5.490 5.490 4.805 0.685 17768
4739 1 10 . 1 1 68 68 THR CA C 65 61.900 61.900 60.709 1.191 17768
4740 1 10 . 1 1 68 68 THR CB C 65 70.200 70.200 70.614 -0.414 17768
4741 1 10 . 1 1 68 68 THR H H 65 8.940 8.940 8.571 0.369 17768
4742 1 10 . 1 1 69 69 MET N N 66 126.700 126.700 125.272 1.428 17768
4743 1 10 . 1 1 69 69 MET HA H 66 5.050 5.050 5.026 0.024 17768
4744 1 10 . 1 1 69 69 MET CA C 66 55.100 55.100 54.815 0.285 17768
4745 1 10 . 1 1 69 69 MET CB C 66 38.100 38.100 37.917 0.183 17768
4746 1 10 . 1 1 69 69 MET H H 66 9.200 9.200 9.002 0.198 17768
4747 1 10 . 1 1 70 70 ASP N N 67 123.500 123.500 119.816 3.684 17768
4748 1 10 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.184 0.226 17768
4749 1 10 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.834 0.167 17768
4750 1 10 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.284 -1.784 17768
4751 1 10 . 1 1 70 70 ASP H H 67 7.720 7.720 8.078 -0.358 17768
4752 1 10 . 1 1 71 71 PHE N N 68 116.900 116.900 115.968 0.932 17768
4753 1 10 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.343 -0.513 17768
4754 1 10 . 1 1 71 71 PHE CA C 68 57.000 57.000 54.990 2.010 17768
4755 1 10 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.621 1.379 17768
4756 1 10 . 1 1 71 71 PHE H H 68 9.130 9.130 8.698 0.432 17768
4757 1 10 . 1 1 72 72 HIS N N 69 120.400 120.400 119.139 1.261 17768
4758 1 10 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.712 0.718 17768
4759 1 10 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.627 0.573 17768
4760 1 10 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.309 3.791 17768
4761 1 10 . 1 1 72 72 HIS H H 69 9.350 9.350 9.203 0.147 17768
4762 1 10 . 1 1 73 73 VAL N N 70 124.900 124.900 124.330 0.570 17768
4763 1 10 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.193 0.247 17768
4764 1 10 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.839 0.161 17768
4765 1 10 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.689 1.611 17768
4766 1 10 . 1 1 73 73 VAL H H 70 9.610 9.610 8.204 1.406 17768
4767 1 10 . 1 1 74 74 TRP N N 71 129.500 129.500 126.854 2.646 17768
4768 1 10 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.025 -0.085 17768
4769 1 10 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.676 0.124 17768
4770 1 10 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.154 -2.154 17768
4771 1 10 . 1 1 74 74 TRP H H 71 8.790 8.790 9.098 -0.308 17768
4772 1 10 . 1 1 75 75 GLY CA C 72 44.400 44.400 43.566 0.834 17768
4773 1 10 . 1 1 76 76 GLY N N 73 105.500 105.500 106.669 -1.169 17768
4774 1 10 . 1 1 76 76 GLY CA C 73 44.800 44.800 44.370 0.430 17768
4775 1 10 . 1 1 76 76 GLY H H 73 8.710 8.710 8.498 0.212 17768
4776 1 10 . 1 1 77 77 THR N N 74 114.200 114.200 113.263 0.937 17768
4777 1 10 . 1 1 77 77 THR HA H 74 4.460 4.460 3.966 0.494 17768
4778 1 10 . 1 1 77 77 THR CA C 74 62.700 62.700 65.047 -2.347 17768
4779 1 10 . 1 1 77 77 THR CB C 74 70.000 70.000 68.335 1.665 17768
4780 1 10 . 1 1 77 77 THR H H 74 9.010 9.010 8.506 0.504 17768
4781 1 10 . 1 1 78 78 THR N N 75 110.800 110.800 114.313 -3.513 17768
4782 1 10 . 1 1 78 78 THR CA C 75 59.100 59.100 60.053 -0.953 17768
4783 1 10 . 1 1 78 78 THR H H 75 7.960 7.960 7.782 0.178 17768
4784 1 10 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.620 0.680 17768
4785 1 10 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.218 -0.618 17768
4786 1 10 . 1 1 80 80 ALA N N 77 120.500 120.500 119.354 1.146 17768
4787 1 10 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.177 -0.157 17768
4788 1 10 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.691 0.709 17768
4789 1 10 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.160 0.540 17768
4790 1 10 . 1 1 80 80 ALA H H 77 8.290 8.290 8.207 0.083 17768
4791 1 10 . 1 1 81 81 GLU N N 78 118.800 118.800 119.492 -0.692 17768
4792 1 10 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.052 -0.012 17768
4793 1 10 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.009 0.691 17768
4794 1 10 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.140 1.360 17768
4795 1 10 . 1 1 81 81 GLU H H 78 7.930 7.930 7.924 0.006 17768
4796 1 10 . 1 1 82 82 ALA N N 79 119.700 119.700 121.175 -1.475 17768
4797 1 10 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.165 -0.285 17768
4798 1 10 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.117 0.383 17768
4799 1 10 . 1 1 82 82 ALA CB C 79 18.400 18.400 17.909 0.491 17768
4800 1 10 . 1 1 82 82 ALA H H 79 7.470 7.470 7.937 -0.467 17768
4801 1 10 . 1 1 83 83 GLN N N 80 120.700 120.700 117.803 2.897 17768
4802 1 10 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.078 -0.248 17768
4803 1 10 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.727 0.473 17768
4804 1 10 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.084 0.616 17768
4805 1 10 . 1 1 83 83 GLN H H 80 8.690 8.690 8.057 0.633 17768
4806 1 10 . 1 1 84 84 ASP N N 81 123.100 123.100 120.847 2.253 17768
4807 1 10 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.406 -0.036 17768
4808 1 10 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.458 1.042 17768
4809 1 10 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.483 -0.183 17768
4810 1 10 . 1 1 84 84 ASP H H 81 8.480 8.480 8.425 0.055 17768
4811 1 10 . 1 1 85 85 ILE N N 82 119.300 119.300 116.855 2.445 17768
4812 1 10 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.751 -0.211 17768
4813 1 10 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.025 1.675 17768
4814 1 10 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.467 1.033 17768
4815 1 10 . 1 1 85 85 ILE H H 82 8.340 8.340 8.053 0.287 17768
4816 1 10 . 1 1 86 86 SER N N 83 114.800 114.800 116.094 -1.294 17768
4817 1 10 . 1 1 86 86 SER HA H 83 4.560 4.560 4.083 0.477 17768
4818 1 10 . 1 1 86 86 SER CA C 83 63.500 63.500 61.980 1.520 17768
4819 1 10 . 1 1 86 86 SER H H 83 7.880 7.880 7.993 -0.113 17768
4820 1 10 . 1 1 87 87 SER N N 84 117.400 117.400 117.461 -0.061 17768
4821 1 10 . 1 1 87 87 SER HA H 84 4.400 4.400 4.242 0.158 17768
4822 1 10 . 1 1 87 87 SER CA C 84 58.100 58.100 61.703 -3.603 17768
4823 1 10 . 1 1 87 87 SER H H 84 8.320 8.320 8.539 -0.219 17768
4824 1 10 . 1 1 88 88 ARG N N 85 121.100 121.100 122.188 -1.088 17768
4825 1 10 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.331 -0.241 17768
4826 1 10 . 1 1 88 88 ARG CA C 85 58.700 58.700 57.967 0.733 17768
4827 1 10 . 1 1 88 88 ARG H H 85 7.780 7.780 7.947 -0.167 17768
4828 1 10 . 1 1 89 89 VAL N N 86 121.200 121.200 120.712 0.488 17768
4829 1 10 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.592 -0.232 17768
4830 1 10 . 1 1 89 89 VAL CA C 86 67.500 67.500 67.167 0.333 17768
4831 1 10 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.671 -0.671 17768
4832 1 10 . 1 1 89 89 VAL H H 86 8.190 8.190 8.051 0.139 17768
4833 1 10 . 1 1 90 90 LEU N N 87 117.500 117.500 117.922 -0.422 17768
4834 1 10 . 1 1 90 90 LEU HA H 87 3.690 3.690 4.035 -0.345 17768
4835 1 10 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.434 -0.134 17768
4836 1 10 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.412 0.888 17768
4837 1 10 . 1 1 90 90 LEU H H 87 7.330 7.330 8.113 -0.783 17768
4838 1 10 . 1 1 91 91 GLU N N 88 118.500 118.500 120.109 -1.609 17768
4839 1 10 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.869 -0.249 17768
4840 1 10 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.190 -0.090 17768
4841 1 10 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.683 0.917 17768
4842 1 10 . 1 1 91 91 GLU H H 88 7.810 7.810 7.923 -0.113 17768
4843 1 10 . 1 1 92 92 ALA N N 89 121.800 121.800 121.510 0.290 17768
4844 1 10 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.646 -0.586 17768
4845 1 10 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.749 -0.349 17768
4846 1 10 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.756 1.444 17768
4847 1 10 . 1 1 92 92 ALA H H 89 7.820 7.820 7.650 0.170 17768
4848 1 10 . 1 1 93 93 LEU N N 90 113.600 113.600 116.777 -3.177 17768
4849 1 10 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.033 -0.013 17768
4850 1 10 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.560 -0.360 17768
4851 1 10 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.148 1.552 17768
4852 1 10 . 1 1 93 93 LEU H H 90 7.570 7.570 8.381 -0.811 17768
4853 1 10 . 1 1 94 94 THR N N 91 102.400 102.400 107.937 -5.537 17768
4854 1 10 . 1 1 94 94 THR HA H 91 4.510 4.510 4.449 0.061 17768
4855 1 10 . 1 1 94 94 THR CA C 91 61.500 61.500 61.849 -0.349 17768
4856 1 10 . 1 1 94 94 THR CB C 91 71.300 71.300 69.265 2.035 17768
4857 1 10 . 1 1 94 94 THR H H 91 7.280 7.280 7.526 -0.246 17768
4858 1 10 . 1 1 95 95 TYR N N 92 123.600 123.600 123.997 -0.397 17768
4859 1 10 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.337 -0.007 17768
4860 1 10 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.447 0.253 17768
4861 1 10 . 1 1 95 95 TYR CB C 92 37.600 37.600 38.883 -1.282 17768
4862 1 10 . 1 1 95 95 TYR H H 92 7.900 7.900 8.251 -0.351 17768
4863 1 10 . 1 1 96 96 LYS N N 93 117.500 117.500 120.427 -2.927 17768
4864 1 10 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.505 0.045 17768
4865 1 10 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.303 1.397 17768
4866 1 10 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.834 -0.334 17768
4867 1 10 . 1 1 96 96 LYS H H 93 7.000 7.000 7.459 -0.459 17768
4868 1 10 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.508 -0.138 17768
4869 1 10 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.395 1.205 17768
4870 1 10 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.928 -0.228 17768
4871 1 10 . 1 1 98 98 LEU N N 95 125.400 125.400 122.344 3.056 17768
4872 1 10 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.583 0.037 17768
4873 1 10 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.452 -0.652 17768
4874 1 10 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.392 2.208 17768
4875 1 10 . 1 1 98 98 LEU H H 95 8.380 8.380 8.678 -0.298 17768
4876 1 10 . 1 1 99 99 MET N N 96 123.100 123.100 123.291 -0.191 17768
4877 1 10 . 1 1 99 99 MET HA H 96 5.480 5.480 5.384 0.096 17768
4878 1 10 . 1 1 99 99 MET CA C 96 55.200 55.200 54.817 0.383 17768
4879 1 10 . 1 1 99 99 MET CB C 96 37.200 37.200 36.867 0.333 17768
4880 1 10 . 1 1 99 99 MET H H 96 8.480 8.480 8.382 0.098 17768
4881 1 10 . 1 1 100 100 PHE N N 97 122.900 122.900 125.906 -3.006 17768
4882 1 10 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.954 -0.564 17768
4883 1 10 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.640 2.660 17768
4884 1 10 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.200 1.900 17768
4885 1 10 . 1 1 100 100 PHE H H 97 8.640 8.640 8.949 -0.309 17768
4886 1 10 . 1 1 101 101 GLU N N 98 125.300 125.300 126.338 -1.038 17768
4887 1 10 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.760 -0.330 17768
4888 1 10 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.620 1.580 17768
4889 1 10 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.502 0.898 17768
4890 1 10 . 1 1 101 101 GLU H H 98 8.640 8.640 8.975 -0.335 17768
4891 1 10 . 1 1 102 102 GLY N N 99 107.100 107.100 104.119 2.981 17768
4892 1 10 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.860 0.840 17768
4893 1 10 . 1 1 102 102 GLY H H 99 8.250 8.250 8.135 0.115 17768
4894 1 10 . 1 1 103 103 PHE N N 100 120.200 120.200 123.674 -3.474 17768
4895 1 10 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.589 0.141 17768
4896 1 10 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.480 2.420 17768
4897 1 10 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.075 2.925 17768
4898 1 10 . 1 1 103 103 PHE H H 100 8.310 8.310 7.379 0.931 17768
4899 1 10 . 1 1 104 104 THR N N 101 116.100 116.100 121.050 -4.950 17768
4900 1 10 . 1 1 104 104 THR HA H 101 4.970 4.970 4.846 0.124 17768
4901 1 10 . 1 1 104 104 THR CA C 101 61.900 61.900 60.565 1.335 17768
4902 1 10 . 1 1 104 104 THR CB C 101 71.400 71.400 69.449 1.951 17768
4903 1 10 . 1 1 104 104 THR H H 101 8.250 8.250 7.976 0.274 17768
4904 1 10 . 1 1 105 105 PHE N N 102 123.200 123.200 122.344 0.856 17768
4905 1 10 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.729 0.881 17768
4906 1 10 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.267 0.333 17768
4907 1 10 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.027 1.573 17768
4908 1 10 . 1 1 105 105 PHE H H 102 8.840 8.840 8.167 0.673 17768
4909 1 10 . 1 1 106 106 VAL N N 103 120.000 120.000 122.199 -2.199 17768
4910 1 10 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.357 0.143 17768
4911 1 10 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.383 -0.183 17768
4912 1 10 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.458 1.742 17768
4913 1 10 . 1 1 106 106 VAL H H 103 8.460 8.460 8.321 0.139 17768
4914 1 10 . 1 1 107 107 ALA N N 104 130.400 130.400 131.586 -1.186 17768
4915 1 10 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.427 -0.587 17768
4916 1 10 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.647 0.753 17768
4917 1 10 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.901 -2.101 17768
4918 1 10 . 1 1 107 107 ALA H H 104 9.210 9.210 8.732 0.478 17768
4919 1 10 . 1 1 108 108 LYS N N 105 127.100 127.100 123.335 3.765 17768
4920 1 10 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.609 -0.379 17768
4921 1 10 . 1 1 108 108 LYS CA C 105 56.200 56.200 54.518 1.682 17768
4922 1 10 . 1 1 108 108 LYS H H 105 8.670 8.670 8.829 -0.159 17768
4923 1 10 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.386 0.114 17768
4924 1 10 . 1 1 115 115 VAL CA C 112 62.200 62.200 60.949 1.251 17768
4925 1 10 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.455 0.045 17768
4926 1 10 . 1 1 116 116 ILE N N 113 125.200 125.200 124.429 0.771 17768
4927 1 10 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.421 0.099 17768
4928 1 10 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.832 0.068 17768
4929 1 10 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.450 2.250 17768
4930 1 10 . 1 1 116 116 ILE H H 113 8.760 8.760 8.128 0.632 17768
4931 1 10 . 1 1 117 117 THR N N 114 119.000 119.000 120.930 -1.930 17768
4932 1 10 . 1 1 117 117 THR HA H 114 4.560 4.560 4.363 0.197 17768
4933 1 10 . 1 1 117 117 THR CA C 114 62.300 62.300 62.815 -0.515 17768
4934 1 10 . 1 1 117 117 THR CB C 114 69.400 69.400 69.291 0.109 17768
4935 1 10 . 1 1 117 117 THR H H 114 8.380 8.380 8.270 0.111 17768
4936 1 10 . 1 1 118 118 ASP N N 115 126.200 126.200 126.399 -0.199 17768
4937 1 10 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.849 -0.199 17768
4938 1 10 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.381 1.119 17768
4939 1 10 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.863 -0.563 17768
4940 1 10 . 1 1 118 118 ASP H H 115 8.920 8.920 8.414 0.506 17768
4941 1 10 . 1 1 119 119 THR HA H 116 3.990 3.990 4.184 -0.194 17768
4942 1 10 . 1 1 119 119 THR CA C 116 64.800 64.800 64.521 0.279 17768
4943 1 10 . 1 1 119 119 THR CB C 116 69.200 69.200 68.891 0.309 17768
4944 1 10 . 1 1 120 120 ASP N N 117 120.500 120.500 120.382 0.118 17768
4945 1 10 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.176 0.624 17768
4946 1 10 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.093 -1.393 17768
4947 1 10 . 1 1 120 120 ASP H H 117 8.360 8.360 8.115 0.245 17768
4948 1 10 . 1 1 121 121 GLY N N 118 108.600 108.600 109.578 -0.978 17768
4949 1 10 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.066 0.734 17768
4950 1 10 . 1 1 121 121 GLY H H 118 8.310 8.310 7.687 0.623 17768
4951 1 10 . 1 1 122 122 VAL N N 119 118.600 118.600 117.159 1.441 17768
4952 1 10 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.233 -0.033 17768
4953 1 10 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.228 2.972 17768
4954 1 10 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.385 2.615 17768
4955 1 10 . 1 1 122 122 VAL H H 119 8.500 8.500 7.622 0.878 17768
4956 1 10 . 1 1 123 123 THR N N 120 123.300 123.300 117.976 5.324 17768
4957 1 10 . 1 1 123 123 THR HA H 120 4.030 4.030 4.439 -0.409 17768
4958 1 10 . 1 1 123 123 THR CA C 120 64.800 64.800 61.712 3.088 17768
4959 1 10 . 1 1 123 123 THR CB C 120 68.400 68.400 69.428 -1.028 17768
4960 1 10 . 1 1 123 123 THR H H 120 9.700 9.700 8.252 1.448 17768
4961 1 10 . 1 1 124 124 LYS N N 121 125.500 125.500 124.678 0.822 17768
4962 1 10 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.385 0.165 17768
4963 1 10 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.078 -0.778 17768
4964 1 10 . 1 1 124 124 LYS H H 121 8.650 8.650 8.464 0.186 17768
4965 1 10 . 1 1 125 125 HIS N N 122 121.400 121.400 121.946 -0.546 17768
4966 1 10 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.843 0.237 17768
4967 1 10 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.213 -2.613 17768
4968 1 10 . 1 1 125 125 HIS CB C 122 31.600 31.600 31.137 0.463 17768
4969 1 10 . 1 1 125 125 HIS H H 122 8.580 8.580 8.133 0.447 17768
4970 1 10 . 1 1 126 126 GLY N N 123 114.000 114.000 109.396 4.604 17768
4971 1 10 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.287 -0.087 17768
4972 1 10 . 1 1 126 126 GLY H H 123 10.010 10.010 8.371 1.639 17768
4973 1 10 . 1 1 127 127 ILE N N 124 124.000 124.000 122.790 1.210 17768
4974 1 10 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.380 0.100 17768
4975 1 10 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.841 1.859 17768
4976 1 10 . 1 1 127 127 ILE CB C 124 41.100 41.100 38.597 2.503 17768
4977 1 10 . 1 1 127 127 ILE H H 124 8.740 8.740 8.388 0.352 17768
4978 1 10 . 1 1 128 128 ILE N N 125 126.200 126.200 130.358 -4.158 17768
4979 1 10 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.361 0.419 17768
4980 1 10 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.169 -0.069 17768
4981 1 10 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.134 1.666 17768
4982 1 10 . 1 1 128 128 ILE H H 125 8.640 8.640 8.840 -0.200 17768
4983 1 10 . 1 1 129 129 LYS N N 126 126.300 126.300 128.950 -2.650 17768
4984 1 10 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.463 0.947 17768
4985 1 10 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.618 -0.018 17768
4986 1 10 . 1 1 129 129 LYS CB C 126 36.100 36.100 33.505 2.595 17768
4987 1 10 . 1 1 129 129 LYS H H 126 8.990 8.990 8.541 0.449 17768
4988 1 10 . 1 1 130 130 VAL N N 127 126.300 126.300 122.249 4.051 17768
4989 1 10 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.239 0.321 17768
4990 1 10 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.218 1.882 17768
4991 1 10 . 1 1 130 130 VAL CB C 127 36.000 36.000 32.408 3.592 17768
4992 1 10 . 1 1 130 130 VAL H H 127 8.880 8.880 8.692 0.188 17768
4993 1 10 . 1 1 131 131 ARG N N 128 126.600 126.600 123.759 2.841 17768
4994 1 10 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.255 -0.295 17768
4995 1 10 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.636 1.964 17768
4996 1 10 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.954 -0.354 17768
4997 1 10 . 1 1 131 131 ARG H H 128 8.720 8.720 7.996 0.724 17768
4998 1 10 . 1 1 132 132 PHE N N 129 125.700 125.700 122.567 3.133 17768
4999 1 10 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.519 0.091 17768
5000 1 10 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.471 1.129 17768
5001 1 10 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.803 0.597 17768
5002 1 10 . 1 1 132 132 PHE H H 129 9.720 9.720 9.385 0.335 17768
5003 1 10 . 1 1 133 133 THR N N 130 114.700 114.700 116.381 -1.681 17768
5004 1 10 . 1 1 133 133 THR HA H 130 5.070 5.070 4.918 0.152 17768
5005 1 10 . 1 1 133 133 THR CA C 130 61.800 61.800 62.049 -0.249 17768
5006 1 10 . 1 1 133 133 THR CB C 130 71.100 71.100 72.326 -1.226 17768
5007 1 10 . 1 1 133 133 THR H H 130 9.100 9.100 9.305 -0.205 17768
5008 1 10 . 1 1 134 134 ILE N N 131 123.000 123.000 126.192 -3.192 17768
5009 1 10 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.811 0.589 17768
5010 1 10 . 1 1 134 134 ILE H H 131 8.400 8.400 8.743 -0.343 17768
5011 1 11 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.947 -0.707 17768
5012 1 11 . 1 1 6 6 TRP CB C 3 29.900 29.900 31.416 -1.516 17768
5013 1 11 . 1 1 8 8 LEU CA C 5 57.800 57.800 55.921 1.879 17768
5014 1 11 . 1 1 8 8 LEU CB C 5 39.700 39.700 40.003 -0.303 17768
5015 1 11 . 1 1 9 9 ALA N N 6 122.500 122.500 122.357 0.143 17768
5016 1 11 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.434 -1.454 17768
5017 1 11 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.573 -0.873 17768
5018 1 11 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.433 0.367 17768
5019 1 11 . 1 1 9 9 ALA H H 6 8.150 8.150 8.088 0.062 17768
5020 1 11 . 1 1 10 10 SER N N 7 112.300 112.300 114.099 -1.799 17768
5021 1 11 . 1 1 10 10 SER HA H 7 3.660 3.660 4.159 -0.499 17768
5022 1 11 . 1 1 10 10 SER CA C 7 62.300 62.300 61.402 0.898 17768
5023 1 11 . 1 1 10 10 SER H H 7 7.910 7.910 7.845 0.065 17768
5024 1 11 . 1 1 11 11 ARG N N 8 122.300 122.300 120.491 1.809 17768
5025 1 11 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.037 -0.087 17768
5026 1 11 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.246 0.354 17768
5027 1 11 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.393 -0.594 17768
5028 1 11 . 1 1 11 11 ARG H H 8 7.390 7.390 7.810 -0.420 17768
5029 1 11 . 1 1 12 12 ALA N N 9 121.500 121.500 123.430 -1.930 17768
5030 1 11 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.739 0.131 17768
5031 1 11 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.553 0.447 17768
5032 1 11 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.206 1.994 17768
5033 1 11 . 1 1 12 12 ALA H H 9 7.720 7.720 8.371 -0.651 17768
5034 1 11 . 1 1 13 13 LEU N N 10 119.000 119.000 119.143 -0.143 17768
5035 1 11 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.080 -1.170 17768
5036 1 11 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.629 -0.029 17768
5037 1 11 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.749 0.251 17768
5038 1 11 . 1 1 13 13 LEU H H 10 7.940 7.940 7.565 0.375 17768
5039 1 11 . 1 1 14 14 GLN N N 11 119.300 119.300 120.022 -0.722 17768
5040 1 11 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.893 -0.543 17768
5041 1 11 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.895 1.805 17768
5042 1 11 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.063 -0.063 17768
5043 1 11 . 1 1 14 14 GLN H H 11 7.390 7.390 8.222 -0.832 17768
5044 1 11 . 1 1 15 15 LYS N N 12 116.200 116.200 120.302 -4.102 17768
5045 1 11 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.089 -0.469 17768
5046 1 11 . 1 1 15 15 LYS CA C 12 58.300 58.300 59.188 -0.888 17768
5047 1 11 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.981 -0.181 17768
5048 1 11 . 1 1 15 15 LYS H H 12 7.470 7.470 7.406 0.064 17768
5049 1 11 . 1 1 16 16 ALA N N 13 121.700 121.700 122.407 -0.707 17768
5050 1 11 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.294 -0.124 17768
5051 1 11 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.063 0.337 17768
5052 1 11 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.428 1.172 17768
5053 1 11 . 1 1 16 16 ALA H H 13 8.560 8.560 7.994 0.566 17768
5054 1 11 . 1 1 17 17 THR N N 14 108.700 108.700 116.242 -7.542 17768
5055 1 11 . 1 1 17 17 THR HA H 14 3.650 3.650 4.175 -0.525 17768
5056 1 11 . 1 1 17 17 THR CA C 14 66.500 66.500 66.755 -0.255 17768
5057 1 11 . 1 1 17 17 THR CB C 14 69.300 69.300 68.826 0.475 17768
5058 1 11 . 1 1 17 17 THR H H 14 8.210 8.210 8.041 0.169 17768
5059 1 11 . 1 1 18 18 VAL N N 15 122.600 122.600 121.765 0.835 17768
5060 1 11 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.869 -0.469 17768
5061 1 11 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.514 1.886 17768
5062 1 11 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.968 -0.468 17768
5063 1 11 . 1 1 18 18 VAL H H 15 7.570 7.570 8.486 -0.916 17768
5064 1 11 . 1 1 19 19 GLU N N 16 117.400 117.400 120.215 -2.815 17768
5065 1 11 . 1 1 19 19 GLU HA H 16 4.170 4.170 3.993 0.177 17768
5066 1 11 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.824 -0.124 17768
5067 1 11 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.577 -0.377 17768
5068 1 11 . 1 1 19 19 GLU H H 16 7.560 7.560 8.173 -0.613 17768
5069 1 11 . 1 1 20 20 ASN N N 17 120.900 120.900 119.300 1.600 17768
5070 1 11 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.634 -0.404 17768
5071 1 11 . 1 1 20 20 ASN CA C 17 57.200 57.200 55.938 1.262 17768
5072 1 11 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.023 -0.123 17768
5073 1 11 . 1 1 20 20 ASN H H 17 8.150 8.150 8.182 -0.032 17768
5074 1 11 . 1 1 21 21 LEU N N 18 119.500 119.500 119.811 -0.311 17768
5075 1 11 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.131 -0.211 17768
5076 1 11 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.046 2.054 17768
5077 1 11 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.869 0.731 17768
5078 1 11 . 1 1 21 21 LEU H H 18 8.500 8.500 8.220 0.280 17768
5079 1 11 . 1 1 22 22 GLU N N 19 112.100 112.100 114.327 -2.227 17768
5080 1 11 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.232 0.368 17768
5081 1 11 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.761 0.939 17768
5082 1 11 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.968 0.232 17768
5083 1 11 . 1 1 22 22 GLU H H 19 8.450 8.450 8.043 0.407 17768
5084 1 11 . 1 1 23 23 SER N N 20 110.300 110.300 114.968 -4.668 17768
5085 1 11 . 1 1 23 23 SER HA H 20 4.490 4.490 4.538 -0.048 17768
5086 1 11 . 1 1 23 23 SER CA C 20 58.600 58.600 60.219 -1.619 17768
5087 1 11 . 1 1 23 23 SER H H 20 7.570 7.570 7.824 -0.254 17768
5088 1 11 . 1 1 24 24 TYR N N 21 125.300 125.300 125.090 0.210 17768
5089 1 11 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.093 0.487 17768
5090 1 11 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.770 1.930 17768
5091 1 11 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.930 -0.530 17768
5092 1 11 . 1 1 24 24 TYR H H 21 7.560 7.560 8.124 -0.564 17768
5093 1 11 . 1 1 25 25 GLN N N 22 130.000 130.000 128.491 1.509 17768
5094 1 11 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.852 -0.002 17768
5095 1 11 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.771 1.029 17768
5096 1 11 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.916 0.384 17768
5097 1 11 . 1 1 25 25 GLN H H 22 8.710 8.710 8.446 0.264 17768
5098 1 11 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.137 -0.127 17768
5099 1 11 . 1 1 27 27 LEU N N 24 112.400 112.400 119.608 -7.208 17768
5100 1 11 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.031 0.179 17768
5101 1 11 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.603 -0.303 17768
5102 1 11 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.170 0.929 17768
5103 1 11 . 1 1 27 27 LEU H H 24 6.720 6.720 7.547 -0.827 17768
5104 1 11 . 1 1 28 28 MET N N 25 116.900 116.900 115.837 1.063 17768
5105 1 11 . 1 1 28 28 MET HA H 25 4.510 4.510 4.292 0.218 17768
5106 1 11 . 1 1 28 28 MET CA C 25 55.900 55.900 56.941 -1.041 17768
5107 1 11 . 1 1 28 28 MET CB C 25 29.100 29.100 31.821 -2.721 17768
5108 1 11 . 1 1 28 28 MET H H 25 7.620 7.620 7.547 0.073 17768
5109 1 11 . 1 1 29 29 GLU N N 26 116.100 116.100 116.921 -0.821 17768
5110 1 11 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.193 -0.053 17768
5111 1 11 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.946 0.454 17768
5112 1 11 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.535 0.764 17768
5113 1 11 . 1 1 29 29 GLU H H 26 8.060 8.060 7.653 0.407 17768
5114 1 11 . 1 1 30 30 MET N N 27 115.100 115.100 118.162 -3.062 17768
5115 1 11 . 1 1 30 30 MET HA H 27 4.450 4.450 4.528 -0.078 17768
5116 1 11 . 1 1 30 30 MET CA C 27 57.000 57.000 56.158 0.842 17768
5117 1 11 . 1 1 30 30 MET CB C 27 36.500 36.500 34.082 2.418 17768
5118 1 11 . 1 1 30 30 MET H H 27 7.920 7.920 7.467 0.453 17768
5119 1 11 . 1 1 31 31 VAL N N 28 107.100 107.100 112.903 -5.803 17768
5120 1 11 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.523 0.187 17768
5121 1 11 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.421 -0.821 17768
5122 1 11 . 1 1 31 31 VAL CB C 28 36.500 36.500 33.848 2.652 17768
5123 1 11 . 1 1 31 31 VAL H H 28 7.180 7.180 7.936 -0.756 17768
5124 1 11 . 1 1 32 32 ASN N N 29 115.300 115.300 121.101 -5.801 17768
5125 1 11 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.764 -0.064 17768
5126 1 11 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.204 1.596 17768
5127 1 11 . 1 1 32 32 ASN CB C 29 40.400 40.400 40.007 0.393 17768
5128 1 11 . 1 1 32 32 ASN H H 29 8.670 8.670 8.948 -0.278 17768
5129 1 11 . 1 1 33 33 GLN N N 30 108.900 108.900 121.407 -12.507 17768
5130 1 11 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.504 0.116 17768
5131 1 11 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.661 0.939 17768
5132 1 11 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.432 1.968 17768
5133 1 11 . 1 1 33 33 GLN H H 30 7.190 7.190 8.419 -1.229 17768
5134 1 11 . 1 1 34 34 VAL N N 31 122.000 122.000 121.266 0.734 17768
5135 1 11 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.519 0.391 17768
5136 1 11 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.672 -0.072 17768
5137 1 11 . 1 1 34 34 VAL CB C 31 33.800 33.800 30.874 2.926 17768
5138 1 11 . 1 1 34 34 VAL H H 31 8.860 8.860 7.703 1.157 17768
5139 1 11 . 1 1 35 35 THR N N 32 119.200 119.200 121.995 -2.795 17768
5140 1 11 . 1 1 35 35 THR HA H 32 4.900 4.900 4.783 0.117 17768
5141 1 11 . 1 1 35 35 THR CA C 32 59.100 59.100 59.890 -0.790 17768
5142 1 11 . 1 1 35 35 THR CB C 32 70.100 70.100 70.043 0.057 17768
5143 1 11 . 1 1 35 35 THR H H 32 8.910 8.910 8.474 0.436 17768
5144 1 11 . 1 1 36 36 GLU H H 33 8.200 8.200 8.736 -0.536 17768
5145 1 11 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.544 -0.424 17768
5146 1 11 . 1 1 39 39 GLY N N 36 111.100 111.100 110.405 0.695 17768
5147 1 11 . 1 1 39 39 GLY CA C 36 44.700 44.700 46.124 -1.424 17768
5148 1 11 . 1 1 39 39 GLY H H 36 8.570 8.570 8.742 -0.172 17768
5149 1 11 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.249 -0.429 17768
5150 1 11 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.363 0.437 17768
5151 1 11 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.787 0.813 17768
5152 1 11 . 1 1 40 40 LYS H H 37 7.070 7.070 8.522 -1.452 17768
5153 1 11 . 1 1 41 41 ASP N N 38 116.100 116.100 117.177 -1.077 17768
5154 1 11 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.653 -0.083 17768
5155 1 11 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.691 0.808 17768
5156 1 11 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.915 0.885 17768
5157 1 11 . 1 1 41 41 ASP H H 38 8.250 8.250 8.288 -0.038 17768
5158 1 11 . 1 1 42 42 ASP N N 39 123.300 123.300 122.505 0.795 17768
5159 1 11 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.753 -0.303 17768
5160 1 11 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.664 0.836 17768
5161 1 11 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.062 -1.762 17768
5162 1 11 . 1 1 42 42 ASP H H 39 7.070 7.070 7.155 -0.085 17768
5163 1 11 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.546 -0.246 17768
5164 1 11 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.300 -0.800 17768
5165 1 11 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.183 -0.083 17768
5166 1 11 . 1 1 44 44 TYR N N 41 122.700 122.700 123.460 -0.760 17768
5167 1 11 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.896 -0.296 17768
5168 1 11 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.534 -1.434 17768
5169 1 11 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.788 -1.288 17768
5170 1 11 . 1 1 44 44 TYR H H 41 8.200 8.200 8.670 -0.470 17768
5171 1 11 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.072 0.528 17768
5172 1 11 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.177 0.323 17768
5173 1 11 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.144 2.956 17768
5174 1 11 . 1 1 46 46 TYR N N 43 113.000 113.000 115.923 -2.923 17768
5175 1 11 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.815 0.345 17768
5176 1 11 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.548 0.152 17768
5177 1 11 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.427 1.473 17768
5178 1 11 . 1 1 46 46 TYR H H 43 8.640 8.640 8.208 0.432 17768
5179 1 11 . 1 1 47 47 VAL N N 44 118.300 118.300 120.192 -1.892 17768
5180 1 11 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.758 0.742 17768
5181 1 11 . 1 1 47 47 VAL CA C 44 60.800 60.800 59.127 1.673 17768
5182 1 11 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.111 0.189 17768
5183 1 11 . 1 1 47 47 VAL H H 44 8.210 8.210 8.257 -0.047 17768
5184 1 11 . 1 1 48 48 VAL N N 45 127.100 127.100 122.036 5.064 17768
5185 1 11 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.481 0.029 17768
5186 1 11 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.545 1.155 17768
5187 1 11 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.853 -0.553 17768
5188 1 11 . 1 1 48 48 VAL H H 45 9.960 9.960 8.411 1.549 17768
5189 1 11 . 1 1 49 49 ILE N N 46 126.500 126.500 122.020 4.480 17768
5190 1 11 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.705 -0.715 17768
5191 1 11 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.528 1.372 17768
5192 1 11 . 1 1 49 49 ILE CB C 46 38.200 38.200 36.873 1.327 17768
5193 1 11 . 1 1 49 49 ILE H H 46 8.160 8.160 7.958 0.202 17768
5194 1 11 . 1 1 50 50 GLY N N 47 116.200 116.200 113.257 2.943 17768
5195 1 11 . 1 1 50 50 GLY CA C 47 44.900 44.900 44.791 0.109 17768
5196 1 11 . 1 1 50 50 GLY H H 47 8.100 8.100 8.461 -0.361 17768
5197 1 11 . 1 1 51 51 ASP N N 48 118.000 118.000 118.742 -0.742 17768
5198 1 11 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.118 -0.628 17768
5199 1 11 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.703 2.197 17768
5200 1 11 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.441 -1.941 17768
5201 1 11 . 1 1 51 51 ASP H H 48 8.150 8.150 8.384 -0.234 17768
5202 1 11 . 1 1 52 52 GLN N N 49 118.000 118.000 124.211 -6.211 17768
5203 1 11 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.534 0.376 17768
5204 1 11 . 1 1 52 52 GLN CA C 49 55.000 55.000 57.205 -2.205 17768
5205 1 11 . 1 1 52 52 GLN CB C 49 31.100 31.100 29.451 1.649 17768
5206 1 11 . 1 1 52 52 GLN H H 49 8.400 8.400 8.607 -0.207 17768
5207 1 11 . 1 1 53 53 SER N N 50 115.900 115.900 120.306 -4.406 17768
5208 1 11 . 1 1 53 53 SER CA C 50 58.200 58.200 60.536 -2.337 17768
5209 1 11 . 1 1 53 53 SER CB C 50 64.700 64.700 62.613 2.087 17768
5210 1 11 . 1 1 53 53 SER H H 50 8.770 8.770 9.136 -0.366 17768
5211 1 11 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.504 -0.204 17768
5212 1 11 . 1 1 57 57 PHE N N 54 126.200 126.200 122.113 4.087 17768
5213 1 11 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.607 0.253 17768
5214 1 11 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.632 -4.532 17768
5215 1 11 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.346 -0.946 17768
5216 1 11 . 1 1 57 57 PHE H H 54 8.620 8.620 8.189 0.431 17768
5217 1 11 . 1 1 59 59 THR HA H 56 4.910 4.910 4.431 0.479 17768
5218 1 11 . 1 1 60 60 LYS N N 57 123.900 123.900 124.339 -0.439 17768
5219 1 11 . 1 1 60 60 LYS HA H 57 4.670 4.670 3.975 0.695 17768
5220 1 11 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.356 0.544 17768
5221 1 11 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.490 -2.090 17768
5222 1 11 . 1 1 60 60 LYS H H 57 8.760 8.760 8.426 0.334 17768
5223 1 11 . 1 1 61 61 SER N N 58 113.900 113.900 119.638 -5.738 17768
5224 1 11 . 1 1 61 61 SER HA H 58 4.690 4.690 4.416 0.274 17768
5225 1 11 . 1 1 61 61 SER CA C 58 55.000 55.000 58.468 -3.468 17768
5226 1 11 . 1 1 61 61 SER CB C 58 63.000 63.000 62.887 0.113 17768
5227 1 11 . 1 1 61 61 SER H H 58 8.400 8.400 8.677 -0.277 17768
5228 1 11 . 1 1 66 66 ASN N N 63 117.100 117.100 115.942 1.158 17768
5229 1 11 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.563 0.097 17768
5230 1 11 . 1 1 66 66 ASN CA C 63 53.100 53.100 51.982 1.118 17768
5231 1 11 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.942 -0.542 17768
5232 1 11 . 1 1 66 66 ASN H H 63 8.260 8.260 7.790 0.470 17768
5233 1 11 . 1 1 67 67 ILE N N 64 120.300 120.300 121.893 -1.593 17768
5234 1 11 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.471 0.149 17768
5235 1 11 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.406 0.895 17768
5236 1 11 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.627 2.573 17768
5237 1 11 . 1 1 67 67 ILE H H 64 8.910 8.910 9.215 -0.305 17768
5238 1 11 . 1 1 68 68 THR N N 65 124.100 124.100 118.646 5.454 17768
5239 1 11 . 1 1 68 68 THR HA H 65 5.490 5.490 4.710 0.780 17768
5240 1 11 . 1 1 68 68 THR CA C 65 61.900 61.900 60.943 0.957 17768
5241 1 11 . 1 1 68 68 THR CB C 65 70.200 70.200 69.952 0.248 17768
5242 1 11 . 1 1 68 68 THR H H 65 8.940 8.940 8.361 0.579 17768
5243 1 11 . 1 1 69 69 MET N N 66 126.700 126.700 126.442 0.258 17768
5244 1 11 . 1 1 69 69 MET HA H 66 5.050 5.050 4.729 0.321 17768
5245 1 11 . 1 1 69 69 MET CA C 66 55.100 55.100 54.934 0.165 17768
5246 1 11 . 1 1 69 69 MET CB C 66 38.100 38.100 36.875 1.225 17768
5247 1 11 . 1 1 69 69 MET H H 66 9.200 9.200 9.032 0.168 17768
5248 1 11 . 1 1 70 70 ASP N N 67 123.500 123.500 123.567 -0.067 17768
5249 1 11 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.477 -0.067 17768
5250 1 11 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.827 0.173 17768
5251 1 11 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.634 -2.134 17768
5252 1 11 . 1 1 70 70 ASP H H 67 7.720 7.720 8.488 -0.768 17768
5253 1 11 . 1 1 71 71 PHE N N 68 116.900 116.900 116.727 0.173 17768
5254 1 11 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.286 -0.456 17768
5255 1 11 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.143 1.857 17768
5256 1 11 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.311 1.689 17768
5257 1 11 . 1 1 71 71 PHE H H 68 9.130 9.130 8.772 0.358 17768
5258 1 11 . 1 1 72 72 HIS N N 69 120.400 120.400 120.687 -0.287 17768
5259 1 11 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.812 0.618 17768
5260 1 11 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.990 0.210 17768
5261 1 11 . 1 1 72 72 HIS CB C 69 35.100 35.100 32.056 3.044 17768
5262 1 11 . 1 1 72 72 HIS H H 69 9.350 9.350 9.295 0.055 17768
5263 1 11 . 1 1 73 73 VAL N N 70 124.900 124.900 123.437 1.463 17768
5264 1 11 . 1 1 73 73 VAL HA H 70 4.440 4.440 3.882 0.558 17768
5265 1 11 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.695 2.305 17768
5266 1 11 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.786 -0.486 17768
5267 1 11 . 1 1 73 73 VAL H H 70 9.610 9.610 8.101 1.509 17768
5268 1 11 . 1 1 74 74 TRP N N 71 129.500 129.500 127.714 1.786 17768
5269 1 11 . 1 1 74 74 TRP HA H 71 4.940 4.940 4.692 0.248 17768
5270 1 11 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.123 0.676 17768
5271 1 11 . 1 1 74 74 TRP CB C 71 31.000 31.000 31.944 -0.944 17768
5272 1 11 . 1 1 74 74 TRP H H 71 8.790 8.790 8.545 0.245 17768
5273 1 11 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.272 0.128 17768
5274 1 11 . 1 1 76 76 GLY N N 73 105.500 105.500 111.799 -6.299 17768
5275 1 11 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.300 -0.500 17768
5276 1 11 . 1 1 76 76 GLY H H 73 8.710 8.710 9.129 -0.419 17768
5277 1 11 . 1 1 77 77 THR N N 74 114.200 114.200 114.738 -0.538 17768
5278 1 11 . 1 1 77 77 THR HA H 74 4.460 4.460 4.453 0.007 17768
5279 1 11 . 1 1 77 77 THR CA C 74 62.700 62.700 62.160 0.540 17768
5280 1 11 . 1 1 77 77 THR CB C 74 70.000 70.000 69.793 0.207 17768
5281 1 11 . 1 1 77 77 THR H H 74 9.010 9.010 7.870 1.140 17768
5282 1 11 . 1 1 78 78 THR N N 75 110.800 110.800 115.248 -4.448 17768
5283 1 11 . 1 1 78 78 THR CA C 75 59.100 59.100 60.592 -1.492 17768
5284 1 11 . 1 1 78 78 THR H H 75 7.960 7.960 8.091 -0.131 17768
5285 1 11 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.970 0.330 17768
5286 1 11 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.181 -0.581 17768
5287 1 11 . 1 1 80 80 ALA N N 77 120.500 120.500 120.445 0.055 17768
5288 1 11 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.386 -0.366 17768
5289 1 11 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.382 1.018 17768
5290 1 11 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.478 0.222 17768
5291 1 11 . 1 1 80 80 ALA H H 77 8.290 8.290 8.251 0.039 17768
5292 1 11 . 1 1 81 81 GLU N N 78 118.800 118.800 118.762 0.038 17768
5293 1 11 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.021 0.019 17768
5294 1 11 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.743 0.957 17768
5295 1 11 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.144 1.356 17768
5296 1 11 . 1 1 81 81 GLU H H 78 7.930 7.930 7.860 0.070 17768
5297 1 11 . 1 1 82 82 ALA N N 79 119.700 119.700 122.446 -2.746 17768
5298 1 11 . 1 1 82 82 ALA HA H 79 3.880 3.880 3.965 -0.085 17768
5299 1 11 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.426 0.074 17768
5300 1 11 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.285 0.115 17768
5301 1 11 . 1 1 82 82 ALA H H 79 7.470 7.470 7.710 -0.240 17768
5302 1 11 . 1 1 83 83 GLN N N 80 120.700 120.700 118.435 2.265 17768
5303 1 11 . 1 1 83 83 GLN HA H 80 3.830 3.830 3.940 -0.110 17768
5304 1 11 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.991 0.209 17768
5305 1 11 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.603 0.097 17768
5306 1 11 . 1 1 83 83 GLN H H 80 8.690 8.690 7.943 0.747 17768
5307 1 11 . 1 1 84 84 ASP N N 81 123.100 123.100 121.051 2.049 17768
5308 1 11 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.330 0.040 17768
5309 1 11 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.684 0.815 17768
5310 1 11 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.934 -0.634 17768
5311 1 11 . 1 1 84 84 ASP H H 81 8.480 8.480 7.889 0.591 17768
5312 1 11 . 1 1 85 85 ILE N N 82 119.300 119.300 116.784 2.516 17768
5313 1 11 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.678 -0.138 17768
5314 1 11 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.004 1.696 17768
5315 1 11 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.547 0.953 17768
5316 1 11 . 1 1 85 85 ILE H H 82 8.340 8.340 8.210 0.130 17768
5317 1 11 . 1 1 86 86 SER N N 83 114.800 114.800 116.860 -2.060 17768
5318 1 11 . 1 1 86 86 SER HA H 83 4.560 4.560 4.043 0.517 17768
5319 1 11 . 1 1 86 86 SER CA C 83 63.500 63.500 62.455 1.045 17768
5320 1 11 . 1 1 86 86 SER H H 83 7.880 7.880 8.331 -0.451 17768
5321 1 11 . 1 1 87 87 SER N N 84 117.400 117.400 117.293 0.107 17768
5322 1 11 . 1 1 87 87 SER HA H 84 4.400 4.400 4.271 0.129 17768
5323 1 11 . 1 1 87 87 SER CA C 84 58.100 58.100 60.117 -2.017 17768
5324 1 11 . 1 1 87 87 SER H H 84 8.320 8.320 8.368 -0.048 17768
5325 1 11 . 1 1 88 88 ARG N N 85 121.100 121.100 122.927 -1.827 17768
5326 1 11 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.183 -0.093 17768
5327 1 11 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.829 -0.129 17768
5328 1 11 . 1 1 88 88 ARG H H 85 7.780 7.780 8.245 -0.465 17768
5329 1 11 . 1 1 89 89 VAL N N 86 121.200 121.200 120.125 1.075 17768
5330 1 11 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.513 -0.153 17768
5331 1 11 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.366 1.134 17768
5332 1 11 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.158 -0.158 17768
5333 1 11 . 1 1 89 89 VAL H H 86 8.190 8.190 7.980 0.210 17768
5334 1 11 . 1 1 90 90 LEU N N 87 117.500 117.500 120.360 -2.860 17768
5335 1 11 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.870 -0.180 17768
5336 1 11 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.550 -0.250 17768
5337 1 11 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.255 0.045 17768
5338 1 11 . 1 1 90 90 LEU H H 87 7.330 7.330 7.845 -0.515 17768
5339 1 11 . 1 1 91 91 GLU N N 88 118.500 118.500 119.175 -0.675 17768
5340 1 11 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.905 -0.285 17768
5341 1 11 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.031 0.069 17768
5342 1 11 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.655 0.945 17768
5343 1 11 . 1 1 91 91 GLU H H 88 7.810 7.810 8.276 -0.466 17768
5344 1 11 . 1 1 92 92 ALA N N 89 121.800 121.800 121.433 0.367 17768
5345 1 11 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.451 -0.391 17768
5346 1 11 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.787 -0.387 17768
5347 1 11 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.780 1.420 17768
5348 1 11 . 1 1 92 92 ALA H H 89 7.820 7.820 7.695 0.125 17768
5349 1 11 . 1 1 93 93 LEU N N 90 113.600 113.600 117.901 -4.301 17768
5350 1 11 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.025 -0.005 17768
5351 1 11 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.943 -0.743 17768
5352 1 11 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.403 2.297 17768
5353 1 11 . 1 1 93 93 LEU H H 90 7.570 7.570 8.345 -0.775 17768
5354 1 11 . 1 1 94 94 THR N N 91 102.400 102.400 109.716 -7.316 17768
5355 1 11 . 1 1 94 94 THR HA H 91 4.510 4.510 4.414 0.096 17768
5356 1 11 . 1 1 94 94 THR CA C 91 61.500 61.500 62.590 -1.090 17768
5357 1 11 . 1 1 94 94 THR CB C 91 71.300 71.300 68.855 2.445 17768
5358 1 11 . 1 1 94 94 THR H H 91 7.280 7.280 7.600 -0.320 17768
5359 1 11 . 1 1 95 95 TYR N N 92 123.600 123.600 124.079 -0.479 17768
5360 1 11 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.315 0.015 17768
5361 1 11 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.566 0.134 17768
5362 1 11 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.054 -1.454 17768
5363 1 11 . 1 1 95 95 TYR H H 92 7.900 7.900 7.623 0.277 17768
5364 1 11 . 1 1 96 96 LYS N N 93 117.500 117.500 119.057 -1.557 17768
5365 1 11 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.532 0.019 17768
5366 1 11 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.578 1.122 17768
5367 1 11 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.614 -0.114 17768
5368 1 11 . 1 1 96 96 LYS H H 93 7.000 7.000 7.390 -0.390 17768
5369 1 11 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.539 -0.169 17768
5370 1 11 . 1 1 97 97 PRO CA C 94 63.600 63.600 61.999 1.601 17768
5371 1 11 . 1 1 97 97 PRO CB C 94 32.700 32.700 33.092 -0.392 17768
5372 1 11 . 1 1 98 98 LEU N N 95 125.400 125.400 118.542 6.858 17768
5373 1 11 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.748 -0.128 17768
5374 1 11 . 1 1 98 98 LEU CA C 95 53.800 53.800 53.729 0.071 17768
5375 1 11 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.547 3.054 17768
5376 1 11 . 1 1 98 98 LEU H H 95 8.380 8.380 8.512 -0.132 17768
5377 1 11 . 1 1 99 99 MET N N 96 123.100 123.100 123.798 -0.698 17768
5378 1 11 . 1 1 99 99 MET HA H 96 5.480 5.480 5.192 0.288 17768
5379 1 11 . 1 1 99 99 MET CA C 96 55.200 55.200 55.166 0.034 17768
5380 1 11 . 1 1 99 99 MET CB C 96 37.200 37.200 36.103 1.097 17768
5381 1 11 . 1 1 99 99 MET H H 96 8.480 8.480 8.340 0.140 17768
5382 1 11 . 1 1 100 100 PHE N N 97 122.900 122.900 126.411 -3.511 17768
5383 1 11 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.889 -0.499 17768
5384 1 11 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.897 2.403 17768
5385 1 11 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.806 1.294 17768
5386 1 11 . 1 1 100 100 PHE H H 97 8.640 8.640 8.859 -0.219 17768
5387 1 11 . 1 1 101 101 GLU N N 98 125.300 125.300 125.240 0.060 17768
5388 1 11 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.733 -0.303 17768
5389 1 11 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.721 1.479 17768
5390 1 11 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.088 0.312 17768
5391 1 11 . 1 1 101 101 GLU H H 98 8.640 8.640 8.688 -0.048 17768
5392 1 11 . 1 1 102 102 GLY N N 99 107.100 107.100 104.818 2.282 17768
5393 1 11 . 1 1 102 102 GLY CA C 99 45.700 45.700 45.035 0.665 17768
5394 1 11 . 1 1 102 102 GLY H H 99 8.250 8.250 8.133 0.117 17768
5395 1 11 . 1 1 103 103 PHE N N 100 120.200 120.200 121.222 -1.022 17768
5396 1 11 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.602 0.128 17768
5397 1 11 . 1 1 103 103 PHE CA C 100 57.900 57.900 57.208 0.692 17768
5398 1 11 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.879 2.121 17768
5399 1 11 . 1 1 103 103 PHE H H 100 8.310 8.310 7.467 0.843 17768
5400 1 11 . 1 1 104 104 THR N N 101 116.100 116.100 119.790 -3.690 17768
5401 1 11 . 1 1 104 104 THR HA H 101 4.970 4.970 4.645 0.325 17768
5402 1 11 . 1 1 104 104 THR CA C 101 61.900 61.900 60.283 1.617 17768
5403 1 11 . 1 1 104 104 THR CB C 101 71.400 71.400 70.803 0.597 17768
5404 1 11 . 1 1 104 104 THR H H 101 8.250 8.250 8.007 0.243 17768
5405 1 11 . 1 1 105 105 PHE N N 102 123.200 123.200 122.010 1.190 17768
5406 1 11 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.885 0.725 17768
5407 1 11 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.520 -0.920 17768
5408 1 11 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.791 0.809 17768
5409 1 11 . 1 1 105 105 PHE H H 102 8.840 8.840 8.771 0.069 17768
5410 1 11 . 1 1 106 106 VAL N N 103 120.000 120.000 121.761 -1.761 17768
5411 1 11 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.364 0.136 17768
5412 1 11 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.157 0.043 17768
5413 1 11 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.288 1.912 17768
5414 1 11 . 1 1 106 106 VAL H H 103 8.460 8.460 9.396 -0.936 17768
5415 1 11 . 1 1 107 107 ALA N N 104 130.400 130.400 131.588 -1.188 17768
5416 1 11 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.802 -0.962 17768
5417 1 11 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.381 1.019 17768
5418 1 11 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.822 -2.022 17768
5419 1 11 . 1 1 107 107 ALA H H 104 9.210 9.210 8.657 0.553 17768
5420 1 11 . 1 1 108 108 LYS N N 105 127.100 127.100 124.336 2.764 17768
5421 1 11 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.544 -0.314 17768
5422 1 11 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.319 0.881 17768
5423 1 11 . 1 1 108 108 LYS H H 105 8.670 8.670 8.861 -0.191 17768
5424 1 11 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.234 0.266 17768
5425 1 11 . 1 1 115 115 VAL CA C 112 62.200 62.200 62.230 -0.030 17768
5426 1 11 . 1 1 115 115 VAL CB C 112 33.500 33.500 31.959 1.541 17768
5427 1 11 . 1 1 116 116 ILE N N 113 125.200 125.200 126.467 -1.267 17768
5428 1 11 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.411 0.109 17768
5429 1 11 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.613 0.287 17768
5430 1 11 . 1 1 116 116 ILE CB C 113 41.700 41.700 41.327 0.373 17768
5431 1 11 . 1 1 116 116 ILE H H 113 8.760 8.760 8.124 0.636 17768
5432 1 11 . 1 1 117 117 THR N N 114 119.000 119.000 119.948 -0.948 17768
5433 1 11 . 1 1 117 117 THR HA H 114 4.560 4.560 4.426 0.134 17768
5434 1 11 . 1 1 117 117 THR CA C 114 62.300 62.300 61.948 0.352 17768
5435 1 11 . 1 1 117 117 THR CB C 114 69.400 69.400 69.271 0.129 17768
5436 1 11 . 1 1 117 117 THR H H 114 8.380 8.380 8.305 0.075 17768
5437 1 11 . 1 1 118 118 ASP N N 115 126.200 126.200 127.354 -1.154 17768
5438 1 11 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.777 -0.127 17768
5439 1 11 . 1 1 118 118 ASP CA C 115 54.500 54.500 54.160 0.340 17768
5440 1 11 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.064 1.236 17768
5441 1 11 . 1 1 118 118 ASP H H 115 8.920 8.920 8.604 0.316 17768
5442 1 11 . 1 1 119 119 THR HA H 116 3.990 3.990 4.188 -0.198 17768
5443 1 11 . 1 1 119 119 THR CA C 116 64.800 64.800 64.248 0.552 17768
5444 1 11 . 1 1 119 119 THR CB C 116 69.200 69.200 69.251 -0.051 17768
5445 1 11 . 1 1 120 120 ASP N N 117 120.500 120.500 119.728 0.772 17768
5446 1 11 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.208 0.592 17768
5447 1 11 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.792 -1.092 17768
5448 1 11 . 1 1 120 120 ASP H H 117 8.360 8.360 8.140 0.220 17768
5449 1 11 . 1 1 121 121 GLY N N 118 108.600 108.600 107.821 0.779 17768
5450 1 11 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.372 0.428 17768
5451 1 11 . 1 1 121 121 GLY H H 118 8.310 8.310 7.718 0.592 17768
5452 1 11 . 1 1 122 122 VAL N N 119 118.600 118.600 119.137 -0.537 17768
5453 1 11 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.139 0.061 17768
5454 1 11 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.656 1.544 17768
5455 1 11 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.256 3.744 17768
5456 1 11 . 1 1 122 122 VAL H H 119 8.500 8.500 7.556 0.944 17768
5457 1 11 . 1 1 123 123 THR N N 120 123.300 123.300 119.384 3.916 17768
5458 1 11 . 1 1 123 123 THR HA H 120 4.030 4.030 4.234 -0.204 17768
5459 1 11 . 1 1 123 123 THR CA C 120 64.800 64.800 63.922 0.878 17768
5460 1 11 . 1 1 123 123 THR CB C 120 68.400 68.400 69.774 -1.374 17768
5461 1 11 . 1 1 123 123 THR H H 120 9.700 9.700 8.336 1.364 17768
5462 1 11 . 1 1 124 124 LYS N N 121 125.500 125.500 125.033 0.467 17768
5463 1 11 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.714 -0.164 17768
5464 1 11 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.815 -1.515 17768
5465 1 11 . 1 1 124 124 LYS H H 121 8.650 8.650 8.302 0.348 17768
5466 1 11 . 1 1 125 125 HIS N N 122 121.400 121.400 122.639 -1.239 17768
5467 1 11 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.101 -0.021 17768
5468 1 11 . 1 1 125 125 HIS CA C 122 51.600 51.600 55.250 -3.650 17768
5469 1 11 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.014 -0.414 17768
5470 1 11 . 1 1 125 125 HIS H H 122 8.580 8.580 8.596 -0.016 17768
5471 1 11 . 1 1 126 126 GLY N N 123 114.000 114.000 110.759 3.241 17768
5472 1 11 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.018 0.182 17768
5473 1 11 . 1 1 126 126 GLY H H 123 10.010 10.010 8.822 1.188 17768
5474 1 11 . 1 1 127 127 ILE N N 124 124.000 124.000 123.933 0.067 17768
5475 1 11 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.534 -0.054 17768
5476 1 11 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.728 0.972 17768
5477 1 11 . 1 1 127 127 ILE CB C 124 41.100 41.100 40.448 0.652 17768
5478 1 11 . 1 1 127 127 ILE H H 124 8.740 8.740 7.868 0.872 17768
5479 1 11 . 1 1 128 128 ILE N N 125 126.200 126.200 130.777 -4.577 17768
5480 1 11 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.424 0.356 17768
5481 1 11 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.110 -0.010 17768
5482 1 11 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.395 2.405 17768
5483 1 11 . 1 1 128 128 ILE H H 125 8.640 8.640 8.608 0.032 17768
5484 1 11 . 1 1 129 129 LYS N N 126 126.300 126.300 128.484 -2.184 17768
5485 1 11 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.905 0.505 17768
5486 1 11 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.737 0.862 17768
5487 1 11 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.026 1.074 17768
5488 1 11 . 1 1 129 129 LYS H H 126 8.990 8.990 8.590 0.400 17768
5489 1 11 . 1 1 130 130 VAL N N 127 126.300 126.300 124.390 1.910 17768
5490 1 11 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.296 0.264 17768
5491 1 11 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.243 0.857 17768
5492 1 11 . 1 1 130 130 VAL CB C 127 36.000 36.000 34.715 1.284 17768
5493 1 11 . 1 1 130 130 VAL H H 127 8.880 8.880 8.904 -0.024 17768
5494 1 11 . 1 1 131 131 ARG N N 128 126.600 126.600 124.417 2.183 17768
5495 1 11 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.235 -0.275 17768
5496 1 11 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.056 1.544 17768
5497 1 11 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.806 -1.206 17768
5498 1 11 . 1 1 131 131 ARG H H 128 8.720 8.720 8.313 0.407 17768
5499 1 11 . 1 1 132 132 PHE N N 129 125.700 125.700 123.785 1.915 17768
5500 1 11 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.480 0.130 17768
5501 1 11 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.691 0.909 17768
5502 1 11 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.484 -0.084 17768
5503 1 11 . 1 1 132 132 PHE H H 129 9.720 9.720 9.327 0.393 17768
5504 1 11 . 1 1 133 133 THR N N 130 114.700 114.700 118.591 -3.891 17768
5505 1 11 . 1 1 133 133 THR HA H 130 5.070 5.070 5.249 -0.179 17768
5506 1 11 . 1 1 133 133 THR CA C 130 61.800 61.800 61.747 0.053 17768
5507 1 11 . 1 1 133 133 THR CB C 130 71.100 71.100 71.603 -0.503 17768
5508 1 11 . 1 1 133 133 THR H H 130 9.100 9.100 9.410 -0.310 17768
5509 1 11 . 1 1 134 134 ILE N N 131 123.000 123.000 122.470 0.530 17768
5510 1 11 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.408 0.992 17768
5511 1 11 . 1 1 134 134 ILE H H 131 8.400 8.400 8.587 -0.187 17768
5512 1 12 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.971 -0.731 17768
5513 1 12 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.445 -0.545 17768
5514 1 12 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.765 1.035 17768
5515 1 12 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.651 -1.952 17768
5516 1 12 . 1 1 9 9 ALA N N 6 122.500 122.500 121.233 1.267 17768
5517 1 12 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.949 -0.969 17768
5518 1 12 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.439 -0.739 17768
5519 1 12 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.942 0.858 17768
5520 1 12 . 1 1 9 9 ALA H H 6 8.150 8.150 7.736 0.414 17768
5521 1 12 . 1 1 10 10 SER N N 7 112.300 112.300 114.450 -2.150 17768
5522 1 12 . 1 1 10 10 SER HA H 7 3.660 3.660 4.341 -0.681 17768
5523 1 12 . 1 1 10 10 SER CA C 7 62.300 62.300 61.315 0.985 17768
5524 1 12 . 1 1 10 10 SER H H 7 7.910 7.910 7.813 0.097 17768
5525 1 12 . 1 1 11 11 ARG N N 8 122.300 122.300 119.865 2.435 17768
5526 1 12 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.010 -0.060 17768
5527 1 12 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.138 0.462 17768
5528 1 12 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.697 0.103 17768
5529 1 12 . 1 1 11 11 ARG H H 8 7.390 7.390 7.611 -0.221 17768
5530 1 12 . 1 1 12 12 ALA N N 9 121.500 121.500 123.702 -2.202 17768
5531 1 12 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.747 0.123 17768
5532 1 12 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.334 0.666 17768
5533 1 12 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.105 2.095 17768
5534 1 12 . 1 1 12 12 ALA H H 9 7.720 7.720 8.400 -0.680 17768
5535 1 12 . 1 1 13 13 LEU N N 10 119.000 119.000 118.457 0.543 17768
5536 1 12 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.814 -0.904 17768
5537 1 12 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.380 0.220 17768
5538 1 12 . 1 1 13 13 LEU CB C 10 40.000 40.000 38.973 1.027 17768
5539 1 12 . 1 1 13 13 LEU H H 10 7.940 7.940 7.315 0.625 17768
5540 1 12 . 1 1 14 14 GLN N N 11 119.300 119.300 119.431 -0.131 17768
5541 1 12 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.768 -0.418 17768
5542 1 12 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.591 2.109 17768
5543 1 12 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.904 0.096 17768
5544 1 12 . 1 1 14 14 GLN H H 11 7.390 7.390 8.006 -0.616 17768
5545 1 12 . 1 1 15 15 LYS N N 12 116.200 116.200 120.070 -3.870 17768
5546 1 12 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.059 -0.439 17768
5547 1 12 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.896 -0.596 17768
5548 1 12 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.217 -0.417 17768
5549 1 12 . 1 1 15 15 LYS H H 12 7.470 7.470 7.387 0.083 17768
5550 1 12 . 1 1 16 16 ALA N N 13 121.700 121.700 121.076 0.624 17768
5551 1 12 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.359 -0.189 17768
5552 1 12 . 1 1 16 16 ALA CA C 13 55.400 55.400 54.882 0.518 17768
5553 1 12 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.462 1.138 17768
5554 1 12 . 1 1 16 16 ALA H H 13 8.560 8.560 8.079 0.481 17768
5555 1 12 . 1 1 17 17 THR N N 14 108.700 108.700 116.296 -7.596 17768
5556 1 12 . 1 1 17 17 THR HA H 14 3.650 3.650 4.097 -0.447 17768
5557 1 12 . 1 1 17 17 THR CA C 14 66.500 66.500 67.430 -0.930 17768
5558 1 12 . 1 1 17 17 THR CB C 14 69.300 69.300 68.670 0.630 17768
5559 1 12 . 1 1 17 17 THR H H 14 8.210 8.210 7.940 0.270 17768
5560 1 12 . 1 1 18 18 VAL N N 15 122.600 122.600 121.352 1.248 17768
5561 1 12 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.924 -0.524 17768
5562 1 12 . 1 1 18 18 VAL CA C 15 68.400 68.400 65.648 2.752 17768
5563 1 12 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.523 -0.023 17768
5564 1 12 . 1 1 18 18 VAL H H 15 7.570 7.570 8.450 -0.880 17768
5565 1 12 . 1 1 19 19 GLU N N 16 117.400 117.400 119.891 -2.491 17768
5566 1 12 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.311 -0.141 17768
5567 1 12 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.390 0.310 17768
5568 1 12 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.328 -0.128 17768
5569 1 12 . 1 1 19 19 GLU H H 16 7.560 7.560 8.162 -0.602 17768
5570 1 12 . 1 1 20 20 ASN N N 17 120.900 120.900 119.898 1.002 17768
5571 1 12 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.621 -0.391 17768
5572 1 12 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.275 0.925 17768
5573 1 12 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.120 -0.220 17768
5574 1 12 . 1 1 20 20 ASN H H 17 8.150 8.150 8.035 0.115 17768
5575 1 12 . 1 1 21 21 LEU N N 18 119.500 119.500 118.636 0.864 17768
5576 1 12 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.141 -0.221 17768
5577 1 12 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.695 2.405 17768
5578 1 12 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.800 0.799 17768
5579 1 12 . 1 1 21 21 LEU H H 18 8.500 8.500 8.138 0.362 17768
5580 1 12 . 1 1 22 22 GLU N N 19 112.100 112.100 116.223 -4.123 17768
5581 1 12 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.183 0.417 17768
5582 1 12 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.199 0.501 17768
5583 1 12 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.080 0.120 17768
5584 1 12 . 1 1 22 22 GLU H H 19 8.450 8.450 8.031 0.419 17768
5585 1 12 . 1 1 23 23 SER N N 20 110.300 110.300 115.185 -4.885 17768
5586 1 12 . 1 1 23 23 SER HA H 20 4.490 4.490 4.471 0.019 17768
5587 1 12 . 1 1 23 23 SER CA C 20 58.600 58.600 60.361 -1.761 17768
5588 1 12 . 1 1 23 23 SER H H 20 7.570 7.570 7.851 -0.281 17768
5589 1 12 . 1 1 24 24 TYR N N 21 125.300 125.300 125.232 0.068 17768
5590 1 12 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.015 0.565 17768
5591 1 12 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.466 1.234 17768
5592 1 12 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.618 -0.218 17768
5593 1 12 . 1 1 24 24 TYR H H 21 7.560 7.560 8.020 -0.460 17768
5594 1 12 . 1 1 25 25 GLN N N 22 130.000 130.000 128.293 1.707 17768
5595 1 12 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.837 0.013 17768
5596 1 12 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.620 1.179 17768
5597 1 12 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.960 0.340 17768
5598 1 12 . 1 1 25 25 GLN H H 22 8.710 8.710 8.273 0.437 17768
5599 1 12 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.256 -0.246 17768
5600 1 12 . 1 1 27 27 LEU N N 24 112.400 112.400 117.709 -5.309 17768
5601 1 12 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.409 -0.199 17768
5602 1 12 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.302 -0.002 17768
5603 1 12 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.570 1.530 17768
5604 1 12 . 1 1 27 27 LEU H H 24 6.720 6.720 7.657 -0.937 17768
5605 1 12 . 1 1 28 28 MET N N 25 116.900 116.900 118.690 -1.790 17768
5606 1 12 . 1 1 28 28 MET HA H 25 4.510 4.510 4.415 0.095 17768
5607 1 12 . 1 1 28 28 MET CA C 25 55.900 55.900 57.691 -1.791 17768
5608 1 12 . 1 1 28 28 MET CB C 25 29.100 29.100 31.546 -2.446 17768
5609 1 12 . 1 1 28 28 MET H H 25 7.620 7.620 7.675 -0.055 17768
5610 1 12 . 1 1 29 29 GLU N N 26 116.100 116.100 118.890 -2.790 17768
5611 1 12 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.130 0.010 17768
5612 1 12 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.596 -0.195 17768
5613 1 12 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.805 0.495 17768
5614 1 12 . 1 1 29 29 GLU H H 26 8.060 8.060 7.589 0.471 17768
5615 1 12 . 1 1 30 30 MET N N 27 115.100 115.100 116.614 -1.514 17768
5616 1 12 . 1 1 30 30 MET HA H 27 4.450 4.450 4.499 -0.049 17768
5617 1 12 . 1 1 30 30 MET CA C 27 57.000 57.000 56.437 0.563 17768
5618 1 12 . 1 1 30 30 MET CB C 27 36.500 36.500 34.255 2.245 17768
5619 1 12 . 1 1 30 30 MET H H 27 7.920 7.920 7.552 0.368 17768
5620 1 12 . 1 1 31 31 VAL N N 28 107.100 107.100 112.814 -5.714 17768
5621 1 12 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.505 0.205 17768
5622 1 12 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.711 -1.111 17768
5623 1 12 . 1 1 31 31 VAL CB C 28 36.500 36.500 33.622 2.878 17768
5624 1 12 . 1 1 31 31 VAL H H 28 7.180 7.180 8.191 -1.011 17768
5625 1 12 . 1 1 32 32 ASN N N 29 115.300 115.300 121.006 -5.706 17768
5626 1 12 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.808 -0.108 17768
5627 1 12 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.196 1.604 17768
5628 1 12 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.789 0.611 17768
5629 1 12 . 1 1 32 32 ASN H H 29 8.670 8.670 9.091 -0.421 17768
5630 1 12 . 1 1 33 33 GLN N N 30 108.900 108.900 119.346 -10.446 17768
5631 1 12 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.579 0.041 17768
5632 1 12 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.846 0.754 17768
5633 1 12 . 1 1 33 33 GLN CB C 30 30.400 30.400 27.790 2.610 17768
5634 1 12 . 1 1 33 33 GLN H H 30 7.190 7.190 8.476 -1.286 17768
5635 1 12 . 1 1 34 34 VAL N N 31 122.000 122.000 121.441 0.559 17768
5636 1 12 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.626 0.284 17768
5637 1 12 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.706 0.894 17768
5638 1 12 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.965 1.835 17768
5639 1 12 . 1 1 34 34 VAL H H 31 8.860 8.860 7.542 1.318 17768
5640 1 12 . 1 1 35 35 THR N N 32 119.200 119.200 122.812 -3.612 17768
5641 1 12 . 1 1 35 35 THR HA H 32 4.900 4.900 4.734 0.166 17768
5642 1 12 . 1 1 35 35 THR CA C 32 59.100 59.100 60.295 -1.195 17768
5643 1 12 . 1 1 35 35 THR CB C 32 70.100 70.100 71.763 -1.663 17768
5644 1 12 . 1 1 35 35 THR H H 32 8.910 8.910 8.927 -0.017 17768
5645 1 12 . 1 1 36 36 GLU H H 33 8.200 8.200 8.905 -0.705 17768
5646 1 12 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.550 -0.430 17768
5647 1 12 . 1 1 39 39 GLY N N 36 111.100 111.100 111.629 -0.529 17768
5648 1 12 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.651 -0.951 17768
5649 1 12 . 1 1 39 39 GLY H H 36 8.570 8.570 8.980 -0.410 17768
5650 1 12 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.417 -0.597 17768
5651 1 12 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.223 0.577 17768
5652 1 12 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.801 0.799 17768
5653 1 12 . 1 1 40 40 LYS H H 37 7.070 7.070 8.547 -1.477 17768
5654 1 12 . 1 1 41 41 ASP N N 38 116.100 116.100 116.216 -0.116 17768
5655 1 12 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.623 -0.053 17768
5656 1 12 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.053 0.447 17768
5657 1 12 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.791 1.009 17768
5658 1 12 . 1 1 41 41 ASP H H 38 8.250 8.250 8.363 -0.113 17768
5659 1 12 . 1 1 42 42 ASP N N 39 123.300 123.300 122.530 0.770 17768
5660 1 12 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.747 -0.297 17768
5661 1 12 . 1 1 42 42 ASP CA C 39 53.500 53.500 51.827 1.673 17768
5662 1 12 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.777 -1.477 17768
5663 1 12 . 1 1 42 42 ASP H H 39 7.070 7.070 7.265 -0.195 17768
5664 1 12 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.116 0.184 17768
5665 1 12 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.297 0.203 17768
5666 1 12 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.331 -0.232 17768
5667 1 12 . 1 1 44 44 TYR N N 41 122.700 122.700 120.009 2.691 17768
5668 1 12 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.704 -0.104 17768
5669 1 12 . 1 1 44 44 TYR CA C 41 55.100 55.100 57.052 -1.952 17768
5670 1 12 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.011 -0.511 17768
5671 1 12 . 1 1 44 44 TYR H H 41 8.200 8.200 8.232 -0.031 17768
5672 1 12 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.196 0.404 17768
5673 1 12 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.580 -0.080 17768
5674 1 12 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.040 3.060 17768
5675 1 12 . 1 1 46 46 TYR N N 43 113.000 113.000 115.762 -2.762 17768
5676 1 12 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.810 0.350 17768
5677 1 12 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.714 -0.014 17768
5678 1 12 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.478 1.422 17768
5679 1 12 . 1 1 46 46 TYR H H 43 8.640 8.640 8.579 0.062 17768
5680 1 12 . 1 1 47 47 VAL N N 44 118.300 118.300 120.236 -1.936 17768
5681 1 12 . 1 1 47 47 VAL HA H 44 5.500 5.500 5.028 0.472 17768
5682 1 12 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.576 0.224 17768
5683 1 12 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.797 -0.497 17768
5684 1 12 . 1 1 47 47 VAL H H 44 8.210 8.210 8.315 -0.105 17768
5685 1 12 . 1 1 48 48 VAL N N 45 127.100 127.100 121.590 5.510 17768
5686 1 12 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.348 0.162 17768
5687 1 12 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.829 0.871 17768
5688 1 12 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.865 -0.565 17768
5689 1 12 . 1 1 48 48 VAL H H 45 9.960 9.960 8.667 1.293 17768
5690 1 12 . 1 1 49 49 ILE N N 46 126.500 126.500 122.087 4.413 17768
5691 1 12 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.894 -0.904 17768
5692 1 12 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.332 1.568 17768
5693 1 12 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.371 0.829 17768
5694 1 12 . 1 1 49 49 ILE H H 46 8.160 8.160 7.998 0.162 17768
5695 1 12 . 1 1 50 50 GLY N N 47 116.200 116.200 112.994 3.206 17768
5696 1 12 . 1 1 50 50 GLY CA C 47 44.900 44.900 44.740 0.160 17768
5697 1 12 . 1 1 50 50 GLY H H 47 8.100 8.100 8.813 -0.713 17768
5698 1 12 . 1 1 51 51 ASP N N 48 118.000 118.000 119.383 -1.383 17768
5699 1 12 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.937 -0.447 17768
5700 1 12 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.502 1.398 17768
5701 1 12 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.670 -1.170 17768
5702 1 12 . 1 1 51 51 ASP H H 48 8.150 8.150 8.323 -0.173 17768
5703 1 12 . 1 1 52 52 GLN N N 49 118.000 118.000 124.562 -6.562 17768
5704 1 12 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.601 0.309 17768
5705 1 12 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.649 -0.649 17768
5706 1 12 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.417 0.683 17768
5707 1 12 . 1 1 52 52 GLN H H 49 8.400 8.400 8.585 -0.185 17768
5708 1 12 . 1 1 53 53 SER N N 50 115.900 115.900 121.061 -5.161 17768
5709 1 12 . 1 1 53 53 SER CA C 50 58.200 58.200 58.342 -0.142 17768
5710 1 12 . 1 1 53 53 SER CB C 50 64.700 64.700 62.375 2.325 17768
5711 1 12 . 1 1 53 53 SER H H 50 8.770 8.770 9.021 -0.251 17768
5712 1 12 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.630 -0.330 17768
5713 1 12 . 1 1 57 57 PHE N N 54 126.200 126.200 124.242 1.958 17768
5714 1 12 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.651 0.209 17768
5715 1 12 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.040 -3.940 17768
5716 1 12 . 1 1 57 57 PHE CB C 54 40.400 40.400 42.903 -2.503 17768
5717 1 12 . 1 1 57 57 PHE H H 54 8.620 8.620 8.414 0.206 17768
5718 1 12 . 1 1 59 59 THR HA H 56 4.910 4.910 4.547 0.363 17768
5719 1 12 . 1 1 60 60 LYS N N 57 123.900 123.900 128.793 -4.893 17768
5720 1 12 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.479 0.191 17768
5721 1 12 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.978 0.922 17768
5722 1 12 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.645 -0.245 17768
5723 1 12 . 1 1 60 60 LYS H H 57 8.760 8.760 8.743 0.017 17768
5724 1 12 . 1 1 61 61 SER N N 58 113.900 113.900 118.806 -4.906 17768
5725 1 12 . 1 1 61 61 SER HA H 58 4.690 4.690 4.491 0.199 17768
5726 1 12 . 1 1 61 61 SER CA C 58 55.000 55.000 58.388 -3.388 17768
5727 1 12 . 1 1 61 61 SER CB C 58 63.000 63.000 62.458 0.542 17768
5728 1 12 . 1 1 61 61 SER H H 58 8.400 8.400 8.399 0.001 17768
5729 1 12 . 1 1 66 66 ASN N N 63 117.100 117.100 121.707 -4.607 17768
5730 1 12 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.111 0.549 17768
5731 1 12 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.675 0.425 17768
5732 1 12 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.197 0.203 17768
5733 1 12 . 1 1 66 66 ASN H H 63 8.260 8.260 8.470 -0.210 17768
5734 1 12 . 1 1 67 67 ILE N N 64 120.300 120.300 121.136 -0.836 17768
5735 1 12 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.447 0.173 17768
5736 1 12 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.649 1.651 17768
5737 1 12 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.632 4.568 17768
5738 1 12 . 1 1 67 67 ILE H H 64 8.910 8.910 9.001 -0.091 17768
5739 1 12 . 1 1 68 68 THR N N 65 124.100 124.100 119.594 4.506 17768
5740 1 12 . 1 1 68 68 THR HA H 65 5.490 5.490 4.695 0.795 17768
5741 1 12 . 1 1 68 68 THR CA C 65 61.900 61.900 60.989 0.911 17768
5742 1 12 . 1 1 68 68 THR CB C 65 70.200 70.200 70.188 0.012 17768
5743 1 12 . 1 1 68 68 THR H H 65 8.940 8.940 8.470 0.470 17768
5744 1 12 . 1 1 69 69 MET N N 66 126.700 126.700 126.192 0.508 17768
5745 1 12 . 1 1 69 69 MET HA H 66 5.050 5.050 4.897 0.153 17768
5746 1 12 . 1 1 69 69 MET CA C 66 55.100 55.100 55.413 -0.313 17768
5747 1 12 . 1 1 69 69 MET CB C 66 38.100 38.100 37.539 0.561 17768
5748 1 12 . 1 1 69 69 MET H H 66 9.200 9.200 9.243 -0.043 17768
5749 1 12 . 1 1 70 70 ASP N N 67 123.500 123.500 120.415 3.085 17768
5750 1 12 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.385 0.025 17768
5751 1 12 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.362 0.638 17768
5752 1 12 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.620 -2.120 17768
5753 1 12 . 1 1 70 70 ASP H H 67 7.720 7.720 8.235 -0.515 17768
5754 1 12 . 1 1 71 71 PHE N N 68 116.900 116.900 118.812 -1.912 17768
5755 1 12 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.481 -0.651 17768
5756 1 12 . 1 1 71 71 PHE CA C 68 57.000 57.000 53.839 3.161 17768
5757 1 12 . 1 1 71 71 PHE CB C 68 43.000 43.000 40.461 2.539 17768
5758 1 12 . 1 1 71 71 PHE H H 68 9.130 9.130 8.796 0.334 17768
5759 1 12 . 1 1 72 72 HIS N N 69 120.400 120.400 121.696 -1.296 17768
5760 1 12 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.686 0.744 17768
5761 1 12 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.760 0.440 17768
5762 1 12 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.440 3.660 17768
5763 1 12 . 1 1 72 72 HIS H H 69 9.350 9.350 9.028 0.322 17768
5764 1 12 . 1 1 73 73 VAL N N 70 124.900 124.900 119.015 5.885 17768
5765 1 12 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.491 -0.051 17768
5766 1 12 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.490 1.510 17768
5767 1 12 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.504 0.796 17768
5768 1 12 . 1 1 73 73 VAL H H 70 9.610 9.610 8.176 1.434 17768
5769 1 12 . 1 1 74 74 TRP N N 71 129.500 129.500 126.032 3.468 17768
5770 1 12 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.152 -0.212 17768
5771 1 12 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.474 0.326 17768
5772 1 12 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.341 -2.341 17768
5773 1 12 . 1 1 74 74 TRP H H 71 8.790 8.790 8.974 -0.184 17768
5774 1 12 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.056 0.344 17768
5775 1 12 . 1 1 76 76 GLY N N 73 105.500 105.500 109.831 -4.331 17768
5776 1 12 . 1 1 76 76 GLY CA C 73 44.800 44.800 44.003 0.797 17768
5777 1 12 . 1 1 76 76 GLY H H 73 8.710 8.710 8.324 0.386 17768
5778 1 12 . 1 1 77 77 THR N N 74 114.200 114.200 112.226 1.974 17768
5779 1 12 . 1 1 77 77 THR HA H 74 4.460 4.460 3.932 0.528 17768
5780 1 12 . 1 1 77 77 THR CA C 74 62.700 62.700 65.393 -2.693 17768
5781 1 12 . 1 1 77 77 THR CB C 74 70.000 70.000 68.369 1.631 17768
5782 1 12 . 1 1 77 77 THR H H 74 9.010 9.010 8.659 0.351 17768
5783 1 12 . 1 1 78 78 THR N N 75 110.800 110.800 113.487 -2.687 17768
5784 1 12 . 1 1 78 78 THR CA C 75 59.100 59.100 60.380 -1.280 17768
5785 1 12 . 1 1 78 78 THR H H 75 7.960 7.960 7.862 0.098 17768
5786 1 12 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.813 1.487 17768
5787 1 12 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.753 -0.152 17768
5788 1 12 . 1 1 80 80 ALA N N 77 120.500 120.500 121.556 -1.056 17768
5789 1 12 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.205 -0.185 17768
5790 1 12 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.068 1.332 17768
5791 1 12 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.274 0.426 17768
5792 1 12 . 1 1 80 80 ALA H H 77 8.290 8.290 8.099 0.191 17768
5793 1 12 . 1 1 81 81 GLU N N 78 118.800 118.800 119.364 -0.564 17768
5794 1 12 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.006 0.034 17768
5795 1 12 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.712 -0.012 17768
5796 1 12 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.457 1.043 17768
5797 1 12 . 1 1 81 81 GLU H H 78 7.930 7.930 8.007 -0.077 17768
5798 1 12 . 1 1 82 82 ALA N N 79 119.700 119.700 120.259 -0.559 17768
5799 1 12 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.039 -0.159 17768
5800 1 12 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.155 0.345 17768
5801 1 12 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.251 0.149 17768
5802 1 12 . 1 1 82 82 ALA H H 79 7.470 7.470 8.297 -0.827 17768
5803 1 12 . 1 1 83 83 GLN N N 80 120.700 120.700 119.200 1.500 17768
5804 1 12 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.135 -0.305 17768
5805 1 12 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.767 0.433 17768
5806 1 12 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.830 -0.130 17768
5807 1 12 . 1 1 83 83 GLN H H 80 8.690 8.690 8.090 0.600 17768
5808 1 12 . 1 1 84 84 ASP N N 81 123.100 123.100 121.501 1.599 17768
5809 1 12 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.364 0.006 17768
5810 1 12 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.886 0.614 17768
5811 1 12 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.631 -0.331 17768
5812 1 12 . 1 1 84 84 ASP H H 81 8.480 8.480 8.439 0.041 17768
5813 1 12 . 1 1 85 85 ILE N N 82 119.300 119.300 116.566 2.734 17768
5814 1 12 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.796 -0.256 17768
5815 1 12 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.134 1.566 17768
5816 1 12 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.797 0.703 17768
5817 1 12 . 1 1 85 85 ILE H H 82 8.340 8.340 8.357 -0.017 17768
5818 1 12 . 1 1 86 86 SER N N 83 114.800 114.800 117.104 -2.304 17768
5819 1 12 . 1 1 86 86 SER HA H 83 4.560 4.560 4.065 0.495 17768
5820 1 12 . 1 1 86 86 SER CA C 83 63.500 63.500 61.699 1.801 17768
5821 1 12 . 1 1 86 86 SER H H 83 7.880 7.880 7.896 -0.016 17768
5822 1 12 . 1 1 87 87 SER N N 84 117.400 117.400 118.902 -1.502 17768
5823 1 12 . 1 1 87 87 SER HA H 84 4.400 4.400 4.145 0.255 17768
5824 1 12 . 1 1 87 87 SER CA C 84 58.100 58.100 61.900 -3.800 17768
5825 1 12 . 1 1 87 87 SER H H 84 8.320 8.320 8.651 -0.331 17768
5826 1 12 . 1 1 88 88 ARG N N 85 121.100 121.100 120.822 0.278 17768
5827 1 12 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.318 -0.228 17768
5828 1 12 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.089 0.611 17768
5829 1 12 . 1 1 88 88 ARG H H 85 7.780 7.780 8.475 -0.695 17768
5830 1 12 . 1 1 89 89 VAL N N 86 121.200 121.200 121.783 -0.583 17768
5831 1 12 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.570 -0.210 17768
5832 1 12 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.885 0.615 17768
5833 1 12 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.547 -0.547 17768
5834 1 12 . 1 1 89 89 VAL H H 86 8.190 8.190 7.983 0.207 17768
5835 1 12 . 1 1 90 90 LEU N N 87 117.500 117.500 119.943 -2.443 17768
5836 1 12 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.828 -0.138 17768
5837 1 12 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.803 -0.503 17768
5838 1 12 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.343 -0.043 17768
5839 1 12 . 1 1 90 90 LEU H H 87 7.330 7.330 8.016 -0.686 17768
5840 1 12 . 1 1 91 91 GLU N N 88 118.500 118.500 119.153 -0.653 17768
5841 1 12 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.925 -0.305 17768
5842 1 12 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.969 0.131 17768
5843 1 12 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.659 0.941 17768
5844 1 12 . 1 1 91 91 GLU H H 88 7.810 7.810 7.808 0.002 17768
5845 1 12 . 1 1 92 92 ALA N N 89 121.800 121.800 121.968 -0.168 17768
5846 1 12 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.601 -0.541 17768
5847 1 12 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.712 -0.312 17768
5848 1 12 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.914 1.286 17768
5849 1 12 . 1 1 92 92 ALA H H 89 7.820 7.820 7.687 0.133 17768
5850 1 12 . 1 1 93 93 LEU N N 90 113.600 113.600 116.738 -3.138 17768
5851 1 12 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.068 -0.048 17768
5852 1 12 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.199 0.001 17768
5853 1 12 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.780 1.920 17768
5854 1 12 . 1 1 93 93 LEU H H 90 7.570 7.570 8.456 -0.886 17768
5855 1 12 . 1 1 94 94 THR N N 91 102.400 102.400 107.819 -5.419 17768
5856 1 12 . 1 1 94 94 THR HA H 91 4.510 4.510 4.492 0.018 17768
5857 1 12 . 1 1 94 94 THR CA C 91 61.500 61.500 61.793 -0.293 17768
5858 1 12 . 1 1 94 94 THR CB C 91 71.300 71.300 68.931 2.369 17768
5859 1 12 . 1 1 94 94 THR H H 91 7.280 7.280 7.604 -0.324 17768
5860 1 12 . 1 1 95 95 TYR N N 92 123.600 123.600 123.913 -0.313 17768
5861 1 12 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.518 -0.188 17768
5862 1 12 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.059 0.641 17768
5863 1 12 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.490 -1.890 17768
5864 1 12 . 1 1 95 95 TYR H H 92 7.900 7.900 8.328 -0.428 17768
5865 1 12 . 1 1 96 96 LYS N N 93 117.500 117.500 121.087 -3.587 17768
5866 1 12 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.455 0.095 17768
5867 1 12 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.445 1.255 17768
5868 1 12 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.479 0.021 17768
5869 1 12 . 1 1 96 96 LYS H H 93 7.000 7.000 7.627 -0.627 17768
5870 1 12 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.555 -0.185 17768
5871 1 12 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.456 1.145 17768
5872 1 12 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.817 -0.117 17768
5873 1 12 . 1 1 98 98 LEU N N 95 125.400 125.400 123.484 1.916 17768
5874 1 12 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.663 -0.043 17768
5875 1 12 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.369 -0.569 17768
5876 1 12 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.683 1.917 17768
5877 1 12 . 1 1 98 98 LEU H H 95 8.380 8.380 8.631 -0.251 17768
5878 1 12 . 1 1 99 99 MET N N 96 123.100 123.100 122.835 0.265 17768
5879 1 12 . 1 1 99 99 MET HA H 96 5.480 5.480 5.307 0.173 17768
5880 1 12 . 1 1 99 99 MET CA C 96 55.200 55.200 54.688 0.512 17768
5881 1 12 . 1 1 99 99 MET CB C 96 37.200 37.200 37.071 0.130 17768
5882 1 12 . 1 1 99 99 MET H H 96 8.480 8.480 8.532 -0.052 17768
5883 1 12 . 1 1 100 100 PHE N N 97 122.900 122.900 125.354 -2.454 17768
5884 1 12 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.030 -0.640 17768
5885 1 12 . 1 1 100 100 PHE CA C 97 60.300 60.300 56.970 3.330 17768
5886 1 12 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.036 2.064 17768
5887 1 12 . 1 1 100 100 PHE H H 97 8.640 8.640 9.375 -0.735 17768
5888 1 12 . 1 1 101 101 GLU N N 98 125.300 125.300 125.599 -0.299 17768
5889 1 12 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.736 -0.306 17768
5890 1 12 . 1 1 101 101 GLU CA C 98 58.200 58.200 57.012 1.188 17768
5891 1 12 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.596 0.804 17768
5892 1 12 . 1 1 101 101 GLU H H 98 8.640 8.640 9.186 -0.546 17768
5893 1 12 . 1 1 102 102 GLY N N 99 107.100 107.100 103.822 3.278 17768
5894 1 12 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.554 1.146 17768
5895 1 12 . 1 1 102 102 GLY H H 99 8.250 8.250 7.990 0.260 17768
5896 1 12 . 1 1 103 103 PHE N N 100 120.200 120.200 123.835 -3.635 17768
5897 1 12 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.675 0.055 17768
5898 1 12 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.135 1.765 17768
5899 1 12 . 1 1 103 103 PHE CB C 100 43.000 43.000 39.846 3.154 17768
5900 1 12 . 1 1 103 103 PHE H H 100 8.310 8.310 8.273 0.037 17768
5901 1 12 . 1 1 104 104 THR N N 101 116.100 116.100 123.033 -6.933 17768
5902 1 12 . 1 1 104 104 THR HA H 101 4.970 4.970 4.684 0.286 17768
5903 1 12 . 1 1 104 104 THR CA C 101 61.900 61.900 61.458 0.442 17768
5904 1 12 . 1 1 104 104 THR CB C 101 71.400 71.400 70.051 1.349 17768
5905 1 12 . 1 1 104 104 THR H H 101 8.250 8.250 8.033 0.217 17768
5906 1 12 . 1 1 105 105 PHE N N 102 123.200 123.200 123.580 -0.380 17768
5907 1 12 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.689 0.921 17768
5908 1 12 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.349 -0.749 17768
5909 1 12 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.775 0.825 17768
5910 1 12 . 1 1 105 105 PHE H H 102 8.840 8.840 7.978 0.862 17768
5911 1 12 . 1 1 106 106 VAL N N 103 120.000 120.000 123.096 -3.096 17768
5912 1 12 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.410 0.090 17768
5913 1 12 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.205 -0.005 17768
5914 1 12 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.456 0.744 17768
5915 1 12 . 1 1 106 106 VAL H H 103 8.460 8.460 8.344 0.116 17768
5916 1 12 . 1 1 107 107 ALA N N 104 130.400 130.400 130.718 -0.318 17768
5917 1 12 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.521 -0.681 17768
5918 1 12 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.114 1.286 17768
5919 1 12 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.993 -2.193 17768
5920 1 12 . 1 1 107 107 ALA H H 104 9.210 9.210 8.662 0.548 17768
5921 1 12 . 1 1 108 108 LYS N N 105 127.100 127.100 124.952 2.148 17768
5922 1 12 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.430 -0.200 17768
5923 1 12 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.365 0.834 17768
5924 1 12 . 1 1 108 108 LYS H H 105 8.670 8.670 8.633 0.037 17768
5925 1 12 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.288 0.212 17768
5926 1 12 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.296 0.904 17768
5927 1 12 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.961 0.539 17768
5928 1 12 . 1 1 116 116 ILE N N 113 125.200 125.200 126.777 -1.577 17768
5929 1 12 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.340 0.180 17768
5930 1 12 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.321 -0.420 17768
5931 1 12 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.699 2.001 17768
5932 1 12 . 1 1 116 116 ILE H H 113 8.760 8.760 8.285 0.475 17768
5933 1 12 . 1 1 117 117 THR N N 114 119.000 119.000 119.915 -0.915 17768
5934 1 12 . 1 1 117 117 THR HA H 114 4.560 4.560 4.357 0.203 17768
5935 1 12 . 1 1 117 117 THR CA C 114 62.300 62.300 62.489 -0.188 17768
5936 1 12 . 1 1 117 117 THR CB C 114 69.400 69.400 69.410 -0.010 17768
5937 1 12 . 1 1 117 117 THR H H 114 8.380 8.380 8.259 0.121 17768
5938 1 12 . 1 1 118 118 ASP N N 115 126.200 126.200 126.610 -0.410 17768
5939 1 12 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.828 -0.178 17768
5940 1 12 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.686 0.814 17768
5941 1 12 . 1 1 118 118 ASP CB C 115 43.300 43.300 41.891 1.409 17768
5942 1 12 . 1 1 118 118 ASP H H 115 8.920 8.920 8.438 0.482 17768
5943 1 12 . 1 1 119 119 THR HA H 116 3.990 3.990 4.155 -0.165 17768
5944 1 12 . 1 1 119 119 THR CA C 116 64.800 64.800 64.039 0.761 17768
5945 1 12 . 1 1 119 119 THR CB C 116 69.200 69.200 69.137 0.063 17768
5946 1 12 . 1 1 120 120 ASP N N 117 120.500 120.500 120.273 0.227 17768
5947 1 12 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.476 1.324 17768
5948 1 12 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.048 -1.348 17768
5949 1 12 . 1 1 120 120 ASP H H 117 8.360 8.360 7.956 0.404 17768
5950 1 12 . 1 1 121 121 GLY N N 118 108.600 108.600 108.175 0.425 17768
5951 1 12 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.014 0.786 17768
5952 1 12 . 1 1 121 121 GLY H H 118 8.310 8.310 7.668 0.642 17768
5953 1 12 . 1 1 122 122 VAL N N 119 118.600 118.600 119.331 -0.731 17768
5954 1 12 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.158 0.042 17768
5955 1 12 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.293 1.907 17768
5956 1 12 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.939 3.061 17768
5957 1 12 . 1 1 122 122 VAL H H 119 8.500 8.500 7.738 0.762 17768
5958 1 12 . 1 1 123 123 THR N N 120 123.300 123.300 123.837 -0.537 17768
5959 1 12 . 1 1 123 123 THR HA H 120 4.030 4.030 4.208 -0.178 17768
5960 1 12 . 1 1 123 123 THR CA C 120 64.800 64.800 63.218 1.582 17768
5961 1 12 . 1 1 123 123 THR CB C 120 68.400 68.400 68.941 -0.541 17768
5962 1 12 . 1 1 123 123 THR H H 120 9.700 9.700 8.339 1.361 17768
5963 1 12 . 1 1 124 124 LYS N N 121 125.500 125.500 127.940 -2.440 17768
5964 1 12 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.330 0.220 17768
5965 1 12 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.385 -1.085 17768
5966 1 12 . 1 1 124 124 LYS H H 121 8.650 8.650 8.393 0.257 17768
5967 1 12 . 1 1 125 125 HIS N N 122 121.400 121.400 121.141 0.259 17768
5968 1 12 . 1 1 125 125 HIS HA H 122 5.080 5.080 4.938 0.142 17768
5969 1 12 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.075 -2.475 17768
5970 1 12 . 1 1 125 125 HIS CB C 122 31.600 31.600 30.897 0.703 17768
5971 1 12 . 1 1 125 125 HIS H H 122 8.580 8.580 8.050 0.530 17768
5972 1 12 . 1 1 126 126 GLY N N 123 114.000 114.000 109.025 4.975 17768
5973 1 12 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.179 0.021 17768
5974 1 12 . 1 1 126 126 GLY H H 123 10.010 10.010 8.421 1.589 17768
5975 1 12 . 1 1 127 127 ILE N N 124 124.000 124.000 123.111 0.889 17768
5976 1 12 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.352 0.128 17768
5977 1 12 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.925 0.775 17768
5978 1 12 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.469 1.631 17768
5979 1 12 . 1 1 127 127 ILE H H 124 8.740 8.740 8.420 0.320 17768
5980 1 12 . 1 1 128 128 ILE N N 125 126.200 126.200 130.485 -4.285 17768
5981 1 12 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.436 0.344 17768
5982 1 12 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.068 0.032 17768
5983 1 12 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.870 1.930 17768
5984 1 12 . 1 1 128 128 ILE H H 125 8.640 8.640 8.767 -0.127 17768
5985 1 12 . 1 1 129 129 LYS N N 126 126.300 126.300 128.593 -2.293 17768
5986 1 12 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.949 0.461 17768
5987 1 12 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.115 0.485 17768
5988 1 12 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.759 1.341 17768
5989 1 12 . 1 1 129 129 LYS H H 126 8.990 8.990 8.475 0.515 17768
5990 1 12 . 1 1 130 130 VAL N N 127 126.300 126.300 124.018 2.282 17768
5991 1 12 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.287 0.273 17768
5992 1 12 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.172 0.928 17768
5993 1 12 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.870 0.130 17768
5994 1 12 . 1 1 130 130 VAL H H 127 8.880 8.880 8.696 0.184 17768
5995 1 12 . 1 1 131 131 ARG N N 128 126.600 126.600 122.098 4.502 17768
5996 1 12 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.110 -0.150 17768
5997 1 12 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.230 1.370 17768
5998 1 12 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.533 0.067 17768
5999 1 12 . 1 1 131 131 ARG H H 128 8.720 8.720 7.988 0.732 17768
6000 1 12 . 1 1 132 132 PHE N N 129 125.700 125.700 120.998 4.702 17768
6001 1 12 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.393 0.217 17768
6002 1 12 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.260 0.340 17768
6003 1 12 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.792 -0.392 17768
6004 1 12 . 1 1 132 132 PHE H H 129 9.720 9.720 9.295 0.425 17768
6005 1 12 . 1 1 133 133 THR N N 130 114.700 114.700 116.749 -2.049 17768
6006 1 12 . 1 1 133 133 THR HA H 130 5.070 5.070 4.836 0.234 17768
6007 1 12 . 1 1 133 133 THR CA C 130 61.800 61.800 61.465 0.335 17768
6008 1 12 . 1 1 133 133 THR CB C 130 71.100 71.100 72.230 -1.130 17768
6009 1 12 . 1 1 133 133 THR H H 130 9.100 9.100 9.116 -0.016 17768
6010 1 12 . 1 1 134 134 ILE N N 131 123.000 123.000 122.654 0.346 17768
6011 1 12 . 1 1 134 134 ILE CA C 131 61.400 61.400 61.338 0.062 17768
6012 1 12 . 1 1 134 134 ILE H H 131 8.400 8.400 8.660 -0.260 17768
6013 1 13 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.917 -0.677 17768
6014 1 13 . 1 1 6 6 TRP CB C 3 29.900 29.900 32.109 -2.209 17768
6015 1 13 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.023 0.777 17768
6016 1 13 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.497 -1.797 17768
6017 1 13 . 1 1 9 9 ALA N N 6 122.500 122.500 120.809 1.691 17768
6018 1 13 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.159 -0.179 17768
6019 1 13 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.029 -0.329 17768
6020 1 13 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.395 0.405 17768
6021 1 13 . 1 1 9 9 ALA H H 6 8.150 8.150 7.661 0.489 17768
6022 1 13 . 1 1 10 10 SER N N 7 112.300 112.300 114.723 -2.423 17768
6023 1 13 . 1 1 10 10 SER HA H 7 3.660 3.660 4.198 -0.538 17768
6024 1 13 . 1 1 10 10 SER CA C 7 62.300 62.300 61.274 1.026 17768
6025 1 13 . 1 1 10 10 SER H H 7 7.910 7.910 8.007 -0.097 17768
6026 1 13 . 1 1 11 11 ARG N N 8 122.300 122.300 122.473 -0.173 17768
6027 1 13 . 1 1 11 11 ARG HA H 8 3.950 3.950 3.930 0.020 17768
6028 1 13 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.008 0.592 17768
6029 1 13 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.648 0.152 17768
6030 1 13 . 1 1 11 11 ARG H H 8 7.390 7.390 7.691 -0.301 17768
6031 1 13 . 1 1 12 12 ALA N N 9 121.500 121.500 122.307 -0.807 17768
6032 1 13 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.933 -0.063 17768
6033 1 13 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.559 0.441 17768
6034 1 13 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.316 1.884 17768
6035 1 13 . 1 1 12 12 ALA H H 9 7.720 7.720 7.646 0.074 17768
6036 1 13 . 1 1 13 13 LEU N N 10 119.000 119.000 117.723 1.277 17768
6037 1 13 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.855 -0.945 17768
6038 1 13 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.068 0.532 17768
6039 1 13 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.062 0.938 17768
6040 1 13 . 1 1 13 13 LEU H H 10 7.940 7.940 7.278 0.662 17768
6041 1 13 . 1 1 14 14 GLN N N 11 119.300 119.300 119.806 -0.506 17768
6042 1 13 . 1 1 14 14 GLN HA H 11 3.350 3.350 4.024 -0.674 17768
6043 1 13 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.464 2.236 17768
6044 1 13 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.939 0.061 17768
6045 1 13 . 1 1 14 14 GLN H H 11 7.390 7.390 8.264 -0.874 17768
6046 1 13 . 1 1 15 15 LYS N N 12 116.200 116.200 120.617 -4.417 17768
6047 1 13 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.057 -0.437 17768
6048 1 13 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.855 -0.555 17768
6049 1 13 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.073 -0.273 17768
6050 1 13 . 1 1 15 15 LYS H H 12 7.470 7.470 7.465 0.005 17768
6051 1 13 . 1 1 16 16 ALA N N 13 121.700 121.700 120.845 0.855 17768
6052 1 13 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.220 -0.050 17768
6053 1 13 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.068 0.332 17768
6054 1 13 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.290 1.310 17768
6055 1 13 . 1 1 16 16 ALA H H 13 8.560 8.560 7.844 0.716 17768
6056 1 13 . 1 1 17 17 THR N N 14 108.700 108.700 116.540 -7.840 17768
6057 1 13 . 1 1 17 17 THR HA H 14 3.650 3.650 4.140 -0.490 17768
6058 1 13 . 1 1 17 17 THR CA C 14 66.500 66.500 67.050 -0.550 17768
6059 1 13 . 1 1 17 17 THR CB C 14 69.300 69.300 68.915 0.385 17768
6060 1 13 . 1 1 17 17 THR H H 14 8.210 8.210 7.735 0.475 17768
6061 1 13 . 1 1 18 18 VAL N N 15 122.600 122.600 118.327 4.273 17768
6062 1 13 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.807 -0.407 17768
6063 1 13 . 1 1 18 18 VAL CA C 15 68.400 68.400 65.693 2.707 17768
6064 1 13 . 1 1 18 18 VAL CB C 15 31.500 31.500 30.171 1.329 17768
6065 1 13 . 1 1 18 18 VAL H H 15 7.570 7.570 8.503 -0.933 17768
6066 1 13 . 1 1 19 19 GLU N N 16 117.400 117.400 121.337 -3.937 17768
6067 1 13 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.030 0.140 17768
6068 1 13 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.797 -0.097 17768
6069 1 13 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.475 -0.275 17768
6070 1 13 . 1 1 19 19 GLU H H 16 7.560 7.560 8.230 -0.670 17768
6071 1 13 . 1 1 20 20 ASN N N 17 120.900 120.900 119.125 1.775 17768
6072 1 13 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.724 -0.494 17768
6073 1 13 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.178 1.022 17768
6074 1 13 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.741 0.159 17768
6075 1 13 . 1 1 20 20 ASN H H 17 8.150 8.150 8.260 -0.110 17768
6076 1 13 . 1 1 21 21 LEU N N 18 119.500 119.500 120.095 -0.595 17768
6077 1 13 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.155 -0.235 17768
6078 1 13 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.192 1.908 17768
6079 1 13 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.929 0.671 17768
6080 1 13 . 1 1 21 21 LEU H H 18 8.500 8.500 8.239 0.261 17768
6081 1 13 . 1 1 22 22 GLU N N 19 112.100 112.100 114.627 -2.527 17768
6082 1 13 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.205 0.395 17768
6083 1 13 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.887 0.813 17768
6084 1 13 . 1 1 22 22 GLU CB C 19 30.200 30.200 30.036 0.164 17768
6085 1 13 . 1 1 22 22 GLU H H 19 8.450 8.450 8.156 0.294 17768
6086 1 13 . 1 1 23 23 SER N N 20 110.300 110.300 114.744 -4.444 17768
6087 1 13 . 1 1 23 23 SER HA H 20 4.490 4.490 4.461 0.029 17768
6088 1 13 . 1 1 23 23 SER CA C 20 58.600 58.600 59.838 -1.238 17768
6089 1 13 . 1 1 23 23 SER H H 20 7.570 7.570 8.128 -0.558 17768
6090 1 13 . 1 1 24 24 TYR N N 21 125.300 125.300 124.558 0.742 17768
6091 1 13 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.822 0.758 17768
6092 1 13 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.450 1.250 17768
6093 1 13 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.743 -0.343 17768
6094 1 13 . 1 1 24 24 TYR H H 21 7.560 7.560 7.985 -0.425 17768
6095 1 13 . 1 1 25 25 GLN N N 22 130.000 130.000 127.387 2.613 17768
6096 1 13 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.855 -0.005 17768
6097 1 13 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.423 1.377 17768
6098 1 13 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.870 0.430 17768
6099 1 13 . 1 1 25 25 GLN H H 22 8.710 8.710 8.216 0.494 17768
6100 1 13 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.139 -0.129 17768
6101 1 13 . 1 1 27 27 LEU N N 24 112.400 112.400 116.473 -4.073 17768
6102 1 13 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.201 0.009 17768
6103 1 13 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.966 0.334 17768
6104 1 13 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.620 0.479 17768
6105 1 13 . 1 1 27 27 LEU H H 24 6.720 6.720 7.644 -0.924 17768
6106 1 13 . 1 1 28 28 MET N N 25 116.900 116.900 114.958 1.942 17768
6107 1 13 . 1 1 28 28 MET HA H 25 4.510 4.510 4.207 0.303 17768
6108 1 13 . 1 1 28 28 MET CA C 25 55.900 55.900 58.548 -2.648 17768
6109 1 13 . 1 1 28 28 MET CB C 25 29.100 29.100 32.409 -3.309 17768
6110 1 13 . 1 1 28 28 MET H H 25 7.620 7.620 7.340 0.280 17768
6111 1 13 . 1 1 29 29 GLU N N 26 116.100 116.100 117.778 -1.678 17768
6112 1 13 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.287 -0.147 17768
6113 1 13 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.248 1.152 17768
6114 1 13 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.809 0.491 17768
6115 1 13 . 1 1 29 29 GLU H H 26 8.060 8.060 8.254 -0.194 17768
6116 1 13 . 1 1 30 30 MET N N 27 115.100 115.100 118.007 -2.907 17768
6117 1 13 . 1 1 30 30 MET HA H 27 4.450 4.450 4.533 -0.083 17768
6118 1 13 . 1 1 30 30 MET CA C 27 57.000 57.000 55.521 1.479 17768
6119 1 13 . 1 1 30 30 MET CB C 27 36.500 36.500 34.567 1.933 17768
6120 1 13 . 1 1 30 30 MET H H 27 7.920 7.920 7.497 0.423 17768
6121 1 13 . 1 1 31 31 VAL N N 28 107.100 107.100 118.560 -11.460 17768
6122 1 13 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.590 0.120 17768
6123 1 13 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.969 -1.369 17768
6124 1 13 . 1 1 31 31 VAL CB C 28 36.500 36.500 33.967 2.533 17768
6125 1 13 . 1 1 31 31 VAL H H 28 7.180 7.180 7.926 -0.746 17768
6126 1 13 . 1 1 32 32 ASN N N 29 115.300 115.300 122.971 -7.671 17768
6127 1 13 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.882 -0.182 17768
6128 1 13 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.050 1.750 17768
6129 1 13 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.656 0.744 17768
6130 1 13 . 1 1 32 32 ASN H H 29 8.670 8.670 8.907 -0.237 17768
6131 1 13 . 1 1 33 33 GLN N N 30 108.900 108.900 118.056 -9.156 17768
6132 1 13 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.587 0.033 17768
6133 1 13 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.062 0.538 17768
6134 1 13 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.546 0.854 17768
6135 1 13 . 1 1 33 33 GLN H H 30 7.190 7.190 8.097 -0.907 17768
6136 1 13 . 1 1 34 34 VAL N N 31 122.000 122.000 121.177 0.823 17768
6137 1 13 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.824 0.086 17768
6138 1 13 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.910 0.690 17768
6139 1 13 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.381 2.420 17768
6140 1 13 . 1 1 34 34 VAL H H 31 8.860 8.860 7.869 0.991 17768
6141 1 13 . 1 1 35 35 THR N N 32 119.200 119.200 124.136 -4.936 17768
6142 1 13 . 1 1 35 35 THR HA H 32 4.900 4.900 4.732 0.168 17768
6143 1 13 . 1 1 35 35 THR CA C 32 59.100 59.100 60.816 -1.716 17768
6144 1 13 . 1 1 35 35 THR CB C 32 70.100 70.100 71.072 -0.972 17768
6145 1 13 . 1 1 35 35 THR H H 32 8.910 8.910 8.795 0.115 17768
6146 1 13 . 1 1 36 36 GLU H H 33 8.200 8.200 8.781 -0.581 17768
6147 1 13 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.629 -0.509 17768
6148 1 13 . 1 1 39 39 GLY N N 36 111.100 111.100 106.224 4.876 17768
6149 1 13 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.687 -0.987 17768
6150 1 13 . 1 1 39 39 GLY H H 36 8.570 8.570 8.284 0.286 17768
6151 1 13 . 1 1 40 40 LYS HA H 37 3.820 3.820 3.930 -0.110 17768
6152 1 13 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.700 1.100 17768
6153 1 13 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.211 0.390 17768
6154 1 13 . 1 1 40 40 LYS H H 37 7.070 7.070 8.534 -1.464 17768
6155 1 13 . 1 1 41 41 ASP N N 38 116.100 116.100 116.458 -0.358 17768
6156 1 13 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.667 -0.097 17768
6157 1 13 . 1 1 41 41 ASP CA C 38 53.500 53.500 54.078 -0.578 17768
6158 1 13 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.142 0.658 17768
6159 1 13 . 1 1 41 41 ASP H H 38 8.250 8.250 8.255 -0.005 17768
6160 1 13 . 1 1 42 42 ASP N N 39 123.300 123.300 122.535 0.765 17768
6161 1 13 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.855 -0.405 17768
6162 1 13 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.804 0.696 17768
6163 1 13 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.726 -1.426 17768
6164 1 13 . 1 1 42 42 ASP H H 39 7.070 7.070 7.552 -0.482 17768
6165 1 13 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.458 -0.158 17768
6166 1 13 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.108 -0.608 17768
6167 1 13 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.307 -0.207 17768
6168 1 13 . 1 1 44 44 TYR N N 41 122.700 122.700 120.848 1.852 17768
6169 1 13 . 1 1 44 44 TYR HA H 41 4.600 4.600 5.003 -0.403 17768
6170 1 13 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.573 -0.473 17768
6171 1 13 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.944 -1.444 17768
6172 1 13 . 1 1 44 44 TYR H H 41 8.200 8.200 8.508 -0.308 17768
6173 1 13 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.276 0.324 17768
6174 1 13 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.617 -0.117 17768
6175 1 13 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.581 2.519 17768
6176 1 13 . 1 1 46 46 TYR N N 43 113.000 113.000 116.545 -3.545 17768
6177 1 13 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.828 0.332 17768
6178 1 13 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.864 0.836 17768
6179 1 13 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.020 0.880 17768
6180 1 13 . 1 1 46 46 TYR H H 43 8.640 8.640 8.379 0.261 17768
6181 1 13 . 1 1 47 47 VAL N N 44 118.300 118.300 120.100 -1.800 17768
6182 1 13 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.763 0.737 17768
6183 1 13 . 1 1 47 47 VAL CA C 44 60.800 60.800 59.446 1.354 17768
6184 1 13 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.901 -0.601 17768
6185 1 13 . 1 1 47 47 VAL H H 44 8.210 8.210 8.168 0.042 17768
6186 1 13 . 1 1 48 48 VAL N N 45 127.100 127.100 129.031 -1.931 17768
6187 1 13 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.086 0.424 17768
6188 1 13 . 1 1 48 48 VAL CA C 45 59.700 59.700 60.433 -0.733 17768
6189 1 13 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.493 -0.193 17768
6190 1 13 . 1 1 48 48 VAL H H 45 9.960 9.960 8.848 1.112 17768
6191 1 13 . 1 1 49 49 ILE N N 46 126.500 126.500 126.556 -0.056 17768
6192 1 13 . 1 1 49 49 ILE HA H 46 3.990 3.990 5.124 -1.134 17768
6193 1 13 . 1 1 49 49 ILE CA C 46 60.900 60.900 59.728 1.172 17768
6194 1 13 . 1 1 49 49 ILE CB C 46 38.200 38.200 39.497 -1.297 17768
6195 1 13 . 1 1 49 49 ILE H H 46 8.160 8.160 8.312 -0.152 17768
6196 1 13 . 1 1 50 50 GLY N N 47 116.200 116.200 112.544 3.656 17768
6197 1 13 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.986 -1.086 17768
6198 1 13 . 1 1 50 50 GLY H H 47 8.100 8.100 9.046 -0.946 17768
6199 1 13 . 1 1 51 51 ASP N N 48 118.000 118.000 117.940 0.060 17768
6200 1 13 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.723 -0.233 17768
6201 1 13 . 1 1 51 51 ASP CA C 48 54.900 54.900 52.905 1.995 17768
6202 1 13 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.233 -1.734 17768
6203 1 13 . 1 1 51 51 ASP H H 48 8.150 8.150 8.372 -0.222 17768
6204 1 13 . 1 1 52 52 GLN N N 49 118.000 118.000 119.912 -1.912 17768
6205 1 13 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.522 0.388 17768
6206 1 13 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.627 -0.626 17768
6207 1 13 . 1 1 52 52 GLN CB C 49 31.100 31.100 29.003 2.097 17768
6208 1 13 . 1 1 52 52 GLN H H 49 8.400 8.400 8.319 0.081 17768
6209 1 13 . 1 1 53 53 SER N N 50 115.900 115.900 117.913 -2.013 17768
6210 1 13 . 1 1 53 53 SER CA C 50 58.200 58.200 58.729 -0.529 17768
6211 1 13 . 1 1 53 53 SER CB C 50 64.700 64.700 62.099 2.601 17768
6212 1 13 . 1 1 53 53 SER H H 50 8.770 8.770 8.803 -0.033 17768
6213 1 13 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.494 -0.194 17768
6214 1 13 . 1 1 57 57 PHE N N 54 126.200 126.200 118.384 7.816 17768
6215 1 13 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.779 0.081 17768
6216 1 13 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.255 -3.155 17768
6217 1 13 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.813 -0.413 17768
6218 1 13 . 1 1 57 57 PHE H H 54 8.620 8.620 7.538 1.082 17768
6219 1 13 . 1 1 59 59 THR HA H 56 4.910 4.910 4.642 0.268 17768
6220 1 13 . 1 1 60 60 LYS N N 57 123.900 123.900 124.496 -0.596 17768
6221 1 13 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.158 0.512 17768
6222 1 13 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.998 -0.098 17768
6223 1 13 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.211 0.189 17768
6224 1 13 . 1 1 60 60 LYS H H 57 8.760 8.760 8.880 -0.120 17768
6225 1 13 . 1 1 61 61 SER N N 58 113.900 113.900 114.339 -0.439 17768
6226 1 13 . 1 1 61 61 SER HA H 58 4.690 4.690 4.543 0.147 17768
6227 1 13 . 1 1 61 61 SER CA C 58 55.000 55.000 58.619 -3.619 17768
6228 1 13 . 1 1 61 61 SER CB C 58 63.000 63.000 63.858 -0.857 17768
6229 1 13 . 1 1 61 61 SER H H 58 8.400 8.400 8.387 0.013 17768
6230 1 13 . 1 1 66 66 ASN N N 63 117.100 117.100 116.444 0.656 17768
6231 1 13 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.127 0.533 17768
6232 1 13 . 1 1 66 66 ASN CA C 63 53.100 53.100 53.428 -0.328 17768
6233 1 13 . 1 1 66 66 ASN CB C 63 41.400 41.400 42.581 -1.181 17768
6234 1 13 . 1 1 66 66 ASN H H 63 8.260 8.260 7.631 0.629 17768
6235 1 13 . 1 1 67 67 ILE N N 64 120.300 120.300 119.567 0.733 17768
6236 1 13 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.642 -0.022 17768
6237 1 13 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.706 0.594 17768
6238 1 13 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.325 1.875 17768
6239 1 13 . 1 1 67 67 ILE H H 64 8.910 8.910 8.312 0.598 17768
6240 1 13 . 1 1 68 68 THR N N 65 124.100 124.100 126.058 -1.958 17768
6241 1 13 . 1 1 68 68 THR HA H 65 5.490 5.490 4.763 0.727 17768
6242 1 13 . 1 1 68 68 THR CA C 65 61.900 61.900 61.633 0.267 17768
6243 1 13 . 1 1 68 68 THR CB C 65 70.200 70.200 70.485 -0.285 17768
6244 1 13 . 1 1 68 68 THR H H 65 8.940 8.940 8.353 0.587 17768
6245 1 13 . 1 1 69 69 MET N N 66 126.700 126.700 124.916 1.784 17768
6246 1 13 . 1 1 69 69 MET HA H 66 5.050 5.050 4.774 0.276 17768
6247 1 13 . 1 1 69 69 MET CA C 66 55.100 55.100 54.284 0.816 17768
6248 1 13 . 1 1 69 69 MET CB C 66 38.100 38.100 37.634 0.466 17768
6249 1 13 . 1 1 69 69 MET H H 66 9.200 9.200 8.840 0.360 17768
6250 1 13 . 1 1 70 70 ASP N N 67 123.500 123.500 120.561 2.939 17768
6251 1 13 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.040 0.370 17768
6252 1 13 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.910 0.090 17768
6253 1 13 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.368 -1.868 17768
6254 1 13 . 1 1 70 70 ASP H H 67 7.720 7.720 8.202 -0.482 17768
6255 1 13 . 1 1 71 71 PHE N N 68 116.900 116.900 121.123 -4.223 17768
6256 1 13 . 1 1 71 71 PHE HA H 68 4.830 4.830 4.836 -0.006 17768
6257 1 13 . 1 1 71 71 PHE CA C 68 57.000 57.000 56.065 0.935 17768
6258 1 13 . 1 1 71 71 PHE CB C 68 43.000 43.000 40.905 2.095 17768
6259 1 13 . 1 1 71 71 PHE H H 68 9.130 9.130 8.663 0.467 17768
6260 1 13 . 1 1 72 72 HIS N N 69 120.400 120.400 121.631 -1.231 17768
6261 1 13 . 1 1 72 72 HIS HA H 69 5.430 5.430 5.310 0.120 17768
6262 1 13 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.076 1.124 17768
6263 1 13 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.341 3.759 17768
6264 1 13 . 1 1 72 72 HIS H H 69 9.350 9.350 9.398 -0.048 17768
6265 1 13 . 1 1 73 73 VAL N N 70 124.900 124.900 121.647 3.253 17768
6266 1 13 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.452 -0.012 17768
6267 1 13 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.349 1.651 17768
6268 1 13 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.330 -0.030 17768
6269 1 13 . 1 1 73 73 VAL H H 70 9.610 9.610 8.865 0.745 17768
6270 1 13 . 1 1 74 74 TRP N N 71 129.500 129.500 125.704 3.796 17768
6271 1 13 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.186 -0.246 17768
6272 1 13 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.735 0.065 17768
6273 1 13 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.233 -1.233 17768
6274 1 13 . 1 1 74 74 TRP H H 71 8.790 8.790 8.842 -0.052 17768
6275 1 13 . 1 1 75 75 GLY CA C 72 44.400 44.400 43.992 0.408 17768
6276 1 13 . 1 1 76 76 GLY N N 73 105.500 105.500 106.491 -0.991 17768
6277 1 13 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.166 -0.366 17768
6278 1 13 . 1 1 76 76 GLY H H 73 8.710 8.710 8.090 0.620 17768
6279 1 13 . 1 1 77 77 THR N N 74 114.200 114.200 114.636 -0.436 17768
6280 1 13 . 1 1 77 77 THR HA H 74 4.460 4.460 4.294 0.166 17768
6281 1 13 . 1 1 77 77 THR CA C 74 62.700 62.700 63.026 -0.326 17768
6282 1 13 . 1 1 77 77 THR CB C 74 70.000 70.000 68.925 1.075 17768
6283 1 13 . 1 1 77 77 THR H H 74 9.010 9.010 8.600 0.410 17768
6284 1 13 . 1 1 78 78 THR N N 75 110.800 110.800 116.143 -5.343 17768
6285 1 13 . 1 1 78 78 THR CA C 75 59.100 59.100 61.143 -2.043 17768
6286 1 13 . 1 1 78 78 THR H H 75 7.960 7.960 7.625 0.335 17768
6287 1 13 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.831 1.469 17768
6288 1 13 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.742 -0.142 17768
6289 1 13 . 1 1 80 80 ALA N N 77 120.500 120.500 121.762 -1.262 17768
6290 1 13 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.136 -0.116 17768
6291 1 13 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.999 0.401 17768
6292 1 13 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.410 0.290 17768
6293 1 13 . 1 1 80 80 ALA H H 77 8.290 8.290 8.468 -0.178 17768
6294 1 13 . 1 1 81 81 GLU N N 78 118.800 118.800 118.044 0.756 17768
6295 1 13 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.046 -0.006 17768
6296 1 13 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.790 0.910 17768
6297 1 13 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.064 1.436 17768
6298 1 13 . 1 1 81 81 GLU H H 78 7.930 7.930 7.802 0.128 17768
6299 1 13 . 1 1 82 82 ALA N N 79 119.700 119.700 121.747 -2.047 17768
6300 1 13 . 1 1 82 82 ALA HA H 79 3.880 3.880 3.993 -0.113 17768
6301 1 13 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.425 0.075 17768
6302 1 13 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.324 0.076 17768
6303 1 13 . 1 1 82 82 ALA H H 79 7.470 7.470 7.904 -0.434 17768
6304 1 13 . 1 1 83 83 GLN N N 80 120.700 120.700 118.583 2.117 17768
6305 1 13 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.020 -0.190 17768
6306 1 13 . 1 1 83 83 GLN CA C 80 59.200 59.200 59.237 -0.037 17768
6307 1 13 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.707 -0.007 17768
6308 1 13 . 1 1 83 83 GLN H H 80 8.690 8.690 7.817 0.873 17768
6309 1 13 . 1 1 84 84 ASP N N 81 123.100 123.100 121.053 2.047 17768
6310 1 13 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.401 -0.031 17768
6311 1 13 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.818 0.682 17768
6312 1 13 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.909 -0.609 17768
6313 1 13 . 1 1 84 84 ASP H H 81 8.480 8.480 7.687 0.793 17768
6314 1 13 . 1 1 85 85 ILE N N 82 119.300 119.300 116.930 2.370 17768
6315 1 13 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.822 -0.282 17768
6316 1 13 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.217 1.483 17768
6317 1 13 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.710 0.790 17768
6318 1 13 . 1 1 85 85 ILE H H 82 8.340 8.340 8.503 -0.163 17768
6319 1 13 . 1 1 86 86 SER N N 83 114.800 114.800 117.658 -2.858 17768
6320 1 13 . 1 1 86 86 SER HA H 83 4.560 4.560 4.120 0.440 17768
6321 1 13 . 1 1 86 86 SER CA C 83 63.500 63.500 62.318 1.182 17768
6322 1 13 . 1 1 86 86 SER H H 83 7.880 7.880 7.927 -0.047 17768
6323 1 13 . 1 1 87 87 SER N N 84 117.400 117.400 118.287 -0.887 17768
6324 1 13 . 1 1 87 87 SER HA H 84 4.400 4.400 4.124 0.276 17768
6325 1 13 . 1 1 87 87 SER CA C 84 58.100 58.100 62.229 -4.129 17768
6326 1 13 . 1 1 87 87 SER H H 84 8.320 8.320 7.906 0.414 17768
6327 1 13 . 1 1 88 88 ARG N N 85 121.100 121.100 121.659 -0.559 17768
6328 1 13 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.224 -0.134 17768
6329 1 13 . 1 1 88 88 ARG CA C 85 58.700 58.700 59.135 -0.435 17768
6330 1 13 . 1 1 88 88 ARG H H 85 7.780 7.780 7.903 -0.123 17768
6331 1 13 . 1 1 89 89 VAL N N 86 121.200 121.200 117.647 3.553 17768
6332 1 13 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.569 -0.209 17768
6333 1 13 . 1 1 89 89 VAL CA C 86 67.500 67.500 65.463 2.037 17768
6334 1 13 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.503 -0.503 17768
6335 1 13 . 1 1 89 89 VAL H H 86 8.190 8.190 7.924 0.266 17768
6336 1 13 . 1 1 90 90 LEU N N 87 117.500 117.500 121.698 -4.198 17768
6337 1 13 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.936 -0.246 17768
6338 1 13 . 1 1 90 90 LEU CA C 87 58.300 58.300 57.792 0.508 17768
6339 1 13 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.297 0.003 17768
6340 1 13 . 1 1 90 90 LEU H H 87 7.330 7.330 7.960 -0.630 17768
6341 1 13 . 1 1 91 91 GLU N N 88 118.500 118.500 119.658 -1.158 17768
6342 1 13 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.921 -0.301 17768
6343 1 13 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.961 0.140 17768
6344 1 13 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.640 0.960 17768
6345 1 13 . 1 1 91 91 GLU H H 88 7.810 7.810 8.319 -0.509 17768
6346 1 13 . 1 1 92 92 ALA N N 89 121.800 121.800 121.486 0.314 17768
6347 1 13 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.502 -0.442 17768
6348 1 13 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.695 -0.295 17768
6349 1 13 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.718 1.482 17768
6350 1 13 . 1 1 92 92 ALA H H 89 7.820 7.820 7.762 0.058 17768
6351 1 13 . 1 1 93 93 LEU N N 90 113.600 113.600 118.426 -4.826 17768
6352 1 13 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.216 -0.196 17768
6353 1 13 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.404 -0.204 17768
6354 1 13 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.273 1.427 17768
6355 1 13 . 1 1 93 93 LEU H H 90 7.570 7.570 7.717 -0.147 17768
6356 1 13 . 1 1 94 94 THR N N 91 102.400 102.400 112.093 -9.693 17768
6357 1 13 . 1 1 94 94 THR HA H 91 4.510 4.510 4.387 0.123 17768
6358 1 13 . 1 1 94 94 THR CA C 91 61.500 61.500 63.363 -1.863 17768
6359 1 13 . 1 1 94 94 THR CB C 91 71.300 71.300 68.441 2.859 17768
6360 1 13 . 1 1 94 94 THR H H 91 7.280 7.280 7.727 -0.447 17768
6361 1 13 . 1 1 95 95 TYR N N 92 123.600 123.600 124.408 -0.808 17768
6362 1 13 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.383 -0.053 17768
6363 1 13 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.314 0.386 17768
6364 1 13 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.365 -1.765 17768
6365 1 13 . 1 1 95 95 TYR H H 92 7.900 7.900 7.837 0.063 17768
6366 1 13 . 1 1 96 96 LYS N N 93 117.500 117.500 119.748 -2.248 17768
6367 1 13 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.564 -0.014 17768
6368 1 13 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.629 1.071 17768
6369 1 13 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.334 0.166 17768
6370 1 13 . 1 1 96 96 LYS H H 93 7.000 7.000 7.481 -0.481 17768
6371 1 13 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.665 -0.295 17768
6372 1 13 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.061 1.539 17768
6373 1 13 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.889 -0.188 17768
6374 1 13 . 1 1 98 98 LEU N N 95 125.400 125.400 121.688 3.712 17768
6375 1 13 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.342 0.278 17768
6376 1 13 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.998 -1.198 17768
6377 1 13 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.738 2.862 17768
6378 1 13 . 1 1 98 98 LEU H H 95 8.380 8.380 8.595 -0.215 17768
6379 1 13 . 1 1 99 99 MET N N 96 123.100 123.100 123.529 -0.429 17768
6380 1 13 . 1 1 99 99 MET HA H 96 5.480 5.480 5.390 0.090 17768
6381 1 13 . 1 1 99 99 MET CA C 96 55.200 55.200 54.620 0.580 17768
6382 1 13 . 1 1 99 99 MET CB C 96 37.200 37.200 36.876 0.324 17768
6383 1 13 . 1 1 99 99 MET H H 96 8.480 8.480 8.419 0.061 17768
6384 1 13 . 1 1 100 100 PHE N N 97 122.900 122.900 125.887 -2.987 17768
6385 1 13 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.924 -0.534 17768
6386 1 13 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.763 2.537 17768
6387 1 13 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.649 1.451 17768
6388 1 13 . 1 1 100 100 PHE H H 97 8.640 8.640 9.291 -0.651 17768
6389 1 13 . 1 1 101 101 GLU N N 98 125.300 125.300 125.934 -0.634 17768
6390 1 13 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.590 -0.160 17768
6391 1 13 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.613 1.587 17768
6392 1 13 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.159 1.241 17768
6393 1 13 . 1 1 101 101 GLU H H 98 8.640 8.640 8.889 -0.249 17768
6394 1 13 . 1 1 102 102 GLY N N 99 107.100 107.100 102.548 4.552 17768
6395 1 13 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.801 0.899 17768
6396 1 13 . 1 1 102 102 GLY H H 99 8.250 8.250 7.928 0.322 17768
6397 1 13 . 1 1 103 103 PHE N N 100 120.200 120.200 122.791 -2.591 17768
6398 1 13 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.594 0.136 17768
6399 1 13 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.573 2.327 17768
6400 1 13 . 1 1 103 103 PHE CB C 100 43.000 43.000 39.023 3.977 17768
6401 1 13 . 1 1 103 103 PHE H H 100 8.310 8.310 7.494 0.816 17768
6402 1 13 . 1 1 104 104 THR N N 101 116.100 116.100 113.242 2.858 17768
6403 1 13 . 1 1 104 104 THR HA H 101 4.970 4.970 4.964 0.006 17768
6404 1 13 . 1 1 104 104 THR CA C 101 61.900 61.900 60.255 1.645 17768
6405 1 13 . 1 1 104 104 THR CB C 101 71.400 71.400 71.013 0.387 17768
6406 1 13 . 1 1 104 104 THR H H 101 8.250 8.250 8.324 -0.074 17768
6407 1 13 . 1 1 105 105 PHE N N 102 123.200 123.200 121.649 1.551 17768
6408 1 13 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.246 0.364 17768
6409 1 13 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.718 -1.118 17768
6410 1 13 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.825 1.776 17768
6411 1 13 . 1 1 105 105 PHE H H 102 8.840 8.840 8.027 0.812 17768
6412 1 13 . 1 1 106 106 VAL N N 103 120.000 120.000 125.506 -5.506 17768
6413 1 13 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.479 0.021 17768
6414 1 13 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.931 0.269 17768
6415 1 13 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.883 1.317 17768
6416 1 13 . 1 1 106 106 VAL H H 103 8.460 8.460 8.686 -0.226 17768
6417 1 13 . 1 1 107 107 ALA N N 104 130.400 130.400 130.942 -0.542 17768
6418 1 13 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.303 -0.463 17768
6419 1 13 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.321 1.079 17768
6420 1 13 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.862 -2.062 17768
6421 1 13 . 1 1 107 107 ALA H H 104 9.210 9.210 8.609 0.601 17768
6422 1 13 . 1 1 108 108 LYS N N 105 127.100 127.100 124.439 2.661 17768
6423 1 13 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.533 -0.303 17768
6424 1 13 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.407 0.793 17768
6425 1 13 . 1 1 108 108 LYS H H 105 8.670 8.670 8.615 0.055 17768
6426 1 13 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.449 0.051 17768
6427 1 13 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.309 0.891 17768
6428 1 13 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.359 0.141 17768
6429 1 13 . 1 1 116 116 ILE N N 113 125.200 125.200 129.297 -4.097 17768
6430 1 13 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.432 0.088 17768
6431 1 13 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.735 -0.835 17768
6432 1 13 . 1 1 116 116 ILE CB C 113 41.700 41.700 38.818 2.882 17768
6433 1 13 . 1 1 116 116 ILE H H 113 8.760 8.760 8.431 0.329 17768
6434 1 13 . 1 1 117 117 THR N N 114 119.000 119.000 122.481 -3.481 17768
6435 1 13 . 1 1 117 117 THR HA H 114 4.560 4.560 4.629 -0.069 17768
6436 1 13 . 1 1 117 117 THR CA C 114 62.300 62.300 61.924 0.376 17768
6437 1 13 . 1 1 117 117 THR CB C 114 69.400 69.400 69.444 -0.044 17768
6438 1 13 . 1 1 117 117 THR H H 114 8.380 8.380 8.301 0.079 17768
6439 1 13 . 1 1 118 118 ASP N N 115 126.200 126.200 125.778 0.422 17768
6440 1 13 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.873 -0.223 17768
6441 1 13 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.287 1.213 17768
6442 1 13 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.202 0.098 17768
6443 1 13 . 1 1 118 118 ASP H H 115 8.920 8.920 8.404 0.516 17768
6444 1 13 . 1 1 119 119 THR HA H 116 3.990 3.990 4.130 -0.140 17768
6445 1 13 . 1 1 119 119 THR CA C 116 64.800 64.800 64.858 -0.058 17768
6446 1 13 . 1 1 119 119 THR CB C 116 69.200 69.200 68.917 0.283 17768
6447 1 13 . 1 1 120 120 ASP N N 117 120.500 120.500 119.575 0.925 17768
6448 1 13 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.008 0.792 17768
6449 1 13 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.189 -1.489 17768
6450 1 13 . 1 1 120 120 ASP H H 117 8.360 8.360 8.108 0.252 17768
6451 1 13 . 1 1 121 121 GLY N N 118 108.600 108.600 108.176 0.424 17768
6452 1 13 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.515 0.285 17768
6453 1 13 . 1 1 121 121 GLY H H 118 8.310 8.310 7.949 0.361 17768
6454 1 13 . 1 1 122 122 VAL N N 119 118.600 118.600 117.775 0.825 17768
6455 1 13 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.509 -0.309 17768
6456 1 13 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.854 2.346 17768
6457 1 13 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.478 3.522 17768
6458 1 13 . 1 1 122 122 VAL H H 119 8.500 8.500 7.669 0.831 17768
6459 1 13 . 1 1 123 123 THR N N 120 123.300 123.300 120.102 3.198 17768
6460 1 13 . 1 1 123 123 THR HA H 120 4.030 4.030 4.435 -0.405 17768
6461 1 13 . 1 1 123 123 THR CA C 120 64.800 64.800 62.072 2.728 17768
6462 1 13 . 1 1 123 123 THR CB C 120 68.400 68.400 69.995 -1.595 17768
6463 1 13 . 1 1 123 123 THR H H 120 9.700 9.700 8.317 1.383 17768
6464 1 13 . 1 1 124 124 LYS N N 121 125.500 125.500 127.054 -1.554 17768
6465 1 13 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.671 -0.121 17768
6466 1 13 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.041 -0.741 17768
6467 1 13 . 1 1 124 124 LYS H H 121 8.650 8.650 8.612 0.038 17768
6468 1 13 . 1 1 125 125 HIS N N 122 121.400 121.400 121.340 0.060 17768
6469 1 13 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.263 -0.183 17768
6470 1 13 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.170 -2.570 17768
6471 1 13 . 1 1 125 125 HIS CB C 122 31.600 31.600 33.159 -1.559 17768
6472 1 13 . 1 1 125 125 HIS H H 122 8.580 8.580 8.482 0.098 17768
6473 1 13 . 1 1 126 126 GLY N N 123 114.000 114.000 109.188 4.812 17768
6474 1 13 . 1 1 126 126 GLY CA C 123 44.200 44.200 43.871 0.329 17768
6475 1 13 . 1 1 126 126 GLY H H 123 10.010 10.010 8.930 1.080 17768
6476 1 13 . 1 1 127 127 ILE N N 124 124.000 124.000 127.562 -3.562 17768
6477 1 13 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.793 -0.313 17768
6478 1 13 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.168 1.532 17768
6479 1 13 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.102 1.998 17768
6480 1 13 . 1 1 127 127 ILE H H 124 8.740 8.740 8.253 0.487 17768
6481 1 13 . 1 1 128 128 ILE N N 125 126.200 126.200 130.290 -4.090 17768
6482 1 13 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.375 0.405 17768
6483 1 13 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.090 0.010 17768
6484 1 13 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.849 1.951 17768
6485 1 13 . 1 1 128 128 ILE H H 125 8.640 8.640 9.078 -0.438 17768
6486 1 13 . 1 1 129 129 LYS N N 126 126.300 126.300 127.964 -1.664 17768
6487 1 13 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.874 0.536 17768
6488 1 13 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.962 0.638 17768
6489 1 13 . 1 1 129 129 LYS CB C 126 36.100 36.100 33.968 2.132 17768
6490 1 13 . 1 1 129 129 LYS H H 126 8.990 8.990 8.444 0.546 17768
6491 1 13 . 1 1 130 130 VAL N N 127 126.300 126.300 115.330 10.970 17768
6492 1 13 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.438 0.122 17768
6493 1 13 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.038 1.062 17768
6494 1 13 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.270 0.730 17768
6495 1 13 . 1 1 130 130 VAL H H 127 8.880 8.880 8.598 0.282 17768
6496 1 13 . 1 1 131 131 ARG N N 128 126.600 126.600 121.814 4.786 17768
6497 1 13 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.011 -0.051 17768
6498 1 13 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.466 1.134 17768
6499 1 13 . 1 1 131 131 ARG CB C 128 32.600 32.600 34.047 -1.447 17768
6500 1 13 . 1 1 131 131 ARG H H 128 8.720 8.720 7.767 0.953 17768
6501 1 13 . 1 1 132 132 PHE N N 129 125.700 125.700 123.572 2.128 17768
6502 1 13 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.687 -0.077 17768
6503 1 13 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.536 0.064 17768
6504 1 13 . 1 1 132 132 PHE CB C 129 42.400 42.400 43.776 -1.376 17768
6505 1 13 . 1 1 132 132 PHE H H 129 9.720 9.720 9.235 0.485 17768
6506 1 13 . 1 1 133 133 THR N N 130 114.700 114.700 117.049 -2.349 17768
6507 1 13 . 1 1 133 133 THR HA H 130 5.070 5.070 4.904 0.166 17768
6508 1 13 . 1 1 133 133 THR CA C 130 61.800 61.800 61.163 0.636 17768
6509 1 13 . 1 1 133 133 THR CB C 130 71.100 71.100 71.574 -0.474 17768
6510 1 13 . 1 1 133 133 THR H H 130 9.100 9.100 8.898 0.202 17768
6511 1 13 . 1 1 134 134 ILE N N 131 123.000 123.000 121.024 1.976 17768
6512 1 13 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.765 1.635 17768
6513 1 13 . 1 1 134 134 ILE H H 131 8.400 8.400 8.599 -0.199 17768
6514 1 14 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.898 -0.658 17768
6515 1 14 . 1 1 6 6 TRP CB C 3 29.900 29.900 31.283 -1.383 17768
6516 1 14 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.294 1.506 17768
6517 1 14 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.192 -1.492 17768
6518 1 14 . 1 1 9 9 ALA N N 6 122.500 122.500 121.937 0.563 17768
6519 1 14 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.051 -1.071 17768
6520 1 14 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.331 -0.631 17768
6521 1 14 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.239 0.561 17768
6522 1 14 . 1 1 9 9 ALA H H 6 8.150 8.150 7.784 0.366 17768
6523 1 14 . 1 1 10 10 SER N N 7 112.300 112.300 113.908 -1.608 17768
6524 1 14 . 1 1 10 10 SER HA H 7 3.660 3.660 4.145 -0.485 17768
6525 1 14 . 1 1 10 10 SER CA C 7 62.300 62.300 61.244 1.056 17768
6526 1 14 . 1 1 10 10 SER H H 7 7.910 7.910 7.760 0.150 17768
6527 1 14 . 1 1 11 11 ARG N N 8 122.300 122.300 118.307 3.993 17768
6528 1 14 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.061 -0.111 17768
6529 1 14 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.045 0.555 17768
6530 1 14 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.062 -0.262 17768
6531 1 14 . 1 1 11 11 ARG H H 8 7.390 7.390 7.619 -0.229 17768
6532 1 14 . 1 1 12 12 ALA N N 9 121.500 121.500 123.139 -1.639 17768
6533 1 14 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.843 0.027 17768
6534 1 14 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.178 0.822 17768
6535 1 14 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.270 1.930 17768
6536 1 14 . 1 1 12 12 ALA H H 9 7.720 7.720 8.601 -0.881 17768
6537 1 14 . 1 1 13 13 LEU N N 10 119.000 119.000 119.147 -0.147 17768
6538 1 14 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.073 -1.163 17768
6539 1 14 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.549 0.051 17768
6540 1 14 . 1 1 13 13 LEU CB C 10 40.000 40.000 41.373 -1.373 17768
6541 1 14 . 1 1 13 13 LEU H H 10 7.940 7.940 7.495 0.445 17768
6542 1 14 . 1 1 14 14 GLN N N 11 119.300 119.300 119.028 0.272 17768
6543 1 14 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.895 -0.545 17768
6544 1 14 . 1 1 14 14 GLN CA C 11 60.700 60.700 57.827 2.873 17768
6545 1 14 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.452 0.548 17768
6546 1 14 . 1 1 14 14 GLN H H 11 7.390 7.390 8.219 -0.829 17768
6547 1 14 . 1 1 15 15 LYS N N 12 116.200 116.200 120.046 -3.846 17768
6548 1 14 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.077 -0.457 17768
6549 1 14 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.379 -0.079 17768
6550 1 14 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.213 0.587 17768
6551 1 14 . 1 1 15 15 LYS H H 12 7.470 7.470 7.636 -0.166 17768
6552 1 14 . 1 1 16 16 ALA N N 13 121.700 121.700 122.990 -1.290 17768
6553 1 14 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.269 -0.099 17768
6554 1 14 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.206 0.194 17768
6555 1 14 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.496 1.104 17768
6556 1 14 . 1 1 16 16 ALA H H 13 8.560 8.560 7.686 0.874 17768
6557 1 14 . 1 1 17 17 THR N N 14 108.700 108.700 116.080 -7.380 17768
6558 1 14 . 1 1 17 17 THR HA H 14 3.650 3.650 4.068 -0.418 17768
6559 1 14 . 1 1 17 17 THR CA C 14 66.500 66.500 66.864 -0.364 17768
6560 1 14 . 1 1 17 17 THR CB C 14 69.300 69.300 68.754 0.546 17768
6561 1 14 . 1 1 17 17 THR H H 14 8.210 8.210 8.370 -0.160 17768
6562 1 14 . 1 1 18 18 VAL N N 15 122.600 122.600 122.039 0.561 17768
6563 1 14 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.931 -0.531 17768
6564 1 14 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.153 2.247 17768
6565 1 14 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.407 0.093 17768
6566 1 14 . 1 1 18 18 VAL H H 15 7.570 7.570 8.320 -0.750 17768
6567 1 14 . 1 1 19 19 GLU N N 16 117.400 117.400 120.608 -3.208 17768
6568 1 14 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.094 0.076 17768
6569 1 14 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.438 0.262 17768
6570 1 14 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.364 -0.164 17768
6571 1 14 . 1 1 19 19 GLU H H 16 7.560 7.560 8.109 -0.549 17768
6572 1 14 . 1 1 20 20 ASN N N 17 120.900 120.900 119.087 1.813 17768
6573 1 14 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.557 -0.327 17768
6574 1 14 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.518 0.682 17768
6575 1 14 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.439 -0.539 17768
6576 1 14 . 1 1 20 20 ASN H H 17 8.150 8.150 8.295 -0.145 17768
6577 1 14 . 1 1 21 21 LEU N N 18 119.500 119.500 119.492 0.008 17768
6578 1 14 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.168 -0.248 17768
6579 1 14 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.051 2.049 17768
6580 1 14 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.896 0.704 17768
6581 1 14 . 1 1 21 21 LEU H H 18 8.500 8.500 8.030 0.470 17768
6582 1 14 . 1 1 22 22 GLU N N 19 112.100 112.100 116.170 -4.070 17768
6583 1 14 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.088 0.512 17768
6584 1 14 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.495 0.205 17768
6585 1 14 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.560 0.640 17768
6586 1 14 . 1 1 22 22 GLU H H 19 8.450 8.450 7.872 0.578 17768
6587 1 14 . 1 1 23 23 SER N N 20 110.300 110.300 114.879 -4.579 17768
6588 1 14 . 1 1 23 23 SER HA H 20 4.490 4.490 4.412 0.078 17768
6589 1 14 . 1 1 23 23 SER CA C 20 58.600 58.600 59.617 -1.017 17768
6590 1 14 . 1 1 23 23 SER H H 20 7.570 7.570 7.827 -0.257 17768
6591 1 14 . 1 1 24 24 TYR N N 21 125.300 125.300 124.751 0.549 17768
6592 1 14 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.828 0.752 17768
6593 1 14 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.168 1.532 17768
6594 1 14 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.421 -0.021 17768
6595 1 14 . 1 1 24 24 TYR H H 21 7.560 7.560 7.935 -0.375 17768
6596 1 14 . 1 1 25 25 GLN N N 22 130.000 130.000 127.962 2.038 17768
6597 1 14 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.797 0.053 17768
6598 1 14 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.532 1.268 17768
6599 1 14 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.912 0.388 17768
6600 1 14 . 1 1 25 25 GLN H H 22 8.710 8.710 7.980 0.730 17768
6601 1 14 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.391 -0.381 17768
6602 1 14 . 1 1 27 27 LEU N N 24 112.400 112.400 120.090 -7.690 17768
6603 1 14 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.291 -0.081 17768
6604 1 14 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.949 0.351 17768
6605 1 14 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.771 1.329 17768
6606 1 14 . 1 1 27 27 LEU H H 24 6.720 6.720 7.805 -1.085 17768
6607 1 14 . 1 1 28 28 MET N N 25 116.900 116.900 116.932 -0.032 17768
6608 1 14 . 1 1 28 28 MET HA H 25 4.510 4.510 4.305 0.205 17768
6609 1 14 . 1 1 28 28 MET CA C 25 55.900 55.900 57.815 -1.915 17768
6610 1 14 . 1 1 28 28 MET CB C 25 29.100 29.100 31.758 -2.658 17768
6611 1 14 . 1 1 28 28 MET H H 25 7.620 7.620 7.448 0.172 17768
6612 1 14 . 1 1 29 29 GLU N N 26 116.100 116.100 118.063 -1.963 17768
6613 1 14 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.121 0.019 17768
6614 1 14 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.294 0.107 17768
6615 1 14 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.434 0.866 17768
6616 1 14 . 1 1 29 29 GLU H H 26 8.060 8.060 7.590 0.470 17768
6617 1 14 . 1 1 30 30 MET N N 27 115.100 115.100 117.138 -2.038 17768
6618 1 14 . 1 1 30 30 MET HA H 27 4.450 4.450 4.332 0.118 17768
6619 1 14 . 1 1 30 30 MET CA C 27 57.000 57.000 57.946 -0.946 17768
6620 1 14 . 1 1 30 30 MET CB C 27 36.500 36.500 33.836 2.664 17768
6621 1 14 . 1 1 30 30 MET H H 27 7.920 7.920 7.427 0.493 17768
6622 1 14 . 1 1 31 31 VAL N N 28 107.100 107.100 116.262 -9.162 17768
6623 1 14 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.385 0.325 17768
6624 1 14 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.815 -1.215 17768
6625 1 14 . 1 1 31 31 VAL CB C 28 36.500 36.500 35.263 1.237 17768
6626 1 14 . 1 1 31 31 VAL H H 28 7.180 7.180 7.976 -0.796 17768
6627 1 14 . 1 1 32 32 ASN N N 29 115.300 115.300 124.767 -9.467 17768
6628 1 14 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.869 -0.169 17768
6629 1 14 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.019 1.781 17768
6630 1 14 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.619 0.781 17768
6631 1 14 . 1 1 32 32 ASN H H 29 8.670 8.670 9.072 -0.402 17768
6632 1 14 . 1 1 33 33 GLN N N 30 108.900 108.900 120.005 -11.105 17768
6633 1 14 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.556 0.064 17768
6634 1 14 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.865 0.735 17768
6635 1 14 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.197 2.204 17768
6636 1 14 . 1 1 33 33 GLN H H 30 7.190 7.190 8.422 -1.232 17768
6637 1 14 . 1 1 34 34 VAL N N 31 122.000 122.000 121.944 0.056 17768
6638 1 14 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.682 0.228 17768
6639 1 14 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.554 1.046 17768
6640 1 14 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.970 1.830 17768
6641 1 14 . 1 1 34 34 VAL H H 31 8.860 8.860 7.609 1.251 17768
6642 1 14 . 1 1 35 35 THR N N 32 119.200 119.200 123.269 -4.069 17768
6643 1 14 . 1 1 35 35 THR HA H 32 4.900 4.900 4.772 0.128 17768
6644 1 14 . 1 1 35 35 THR CA C 32 59.100 59.100 59.388 -0.288 17768
6645 1 14 . 1 1 35 35 THR CB C 32 70.100 70.100 71.107 -1.007 17768
6646 1 14 . 1 1 35 35 THR H H 32 8.910 8.910 8.828 0.082 17768
6647 1 14 . 1 1 36 36 GLU H H 33 8.200 8.200 8.909 -0.710 17768
6648 1 14 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.479 -0.359 17768
6649 1 14 . 1 1 39 39 GLY N N 36 111.100 111.100 112.394 -1.294 17768
6650 1 14 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.471 -0.771 17768
6651 1 14 . 1 1 39 39 GLY H H 36 8.570 8.570 8.602 -0.032 17768
6652 1 14 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.237 -0.417 17768
6653 1 14 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.295 0.505 17768
6654 1 14 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.880 0.720 17768
6655 1 14 . 1 1 40 40 LYS H H 37 7.070 7.070 8.051 -0.981 17768
6656 1 14 . 1 1 41 41 ASP N N 38 116.100 116.100 119.488 -3.388 17768
6657 1 14 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.725 -0.155 17768
6658 1 14 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.962 -0.461 17768
6659 1 14 . 1 1 41 41 ASP CB C 38 40.800 40.800 41.130 -0.330 17768
6660 1 14 . 1 1 41 41 ASP H H 38 8.250 8.250 8.492 -0.242 17768
6661 1 14 . 1 1 42 42 ASP N N 39 123.300 123.300 121.042 2.258 17768
6662 1 14 . 1 1 42 42 ASP HA H 39 4.450 4.450 5.018 -0.568 17768
6663 1 14 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.653 0.847 17768
6664 1 14 . 1 1 42 42 ASP CB C 39 39.300 39.300 42.072 -2.772 17768
6665 1 14 . 1 1 42 42 ASP H H 39 7.070 7.070 7.949 -0.879 17768
6666 1 14 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.159 0.141 17768
6667 1 14 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.343 0.157 17768
6668 1 14 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.331 -0.232 17768
6669 1 14 . 1 1 44 44 TYR N N 41 122.700 122.700 119.378 3.322 17768
6670 1 14 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.180 0.420 17768
6671 1 14 . 1 1 44 44 TYR CA C 41 55.100 55.100 54.956 0.144 17768
6672 1 14 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.703 -0.202 17768
6673 1 14 . 1 1 44 44 TYR H H 41 8.200 8.200 8.121 0.079 17768
6674 1 14 . 1 1 45 45 PRO HA H 42 5.600 5.600 4.824 0.776 17768
6675 1 14 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.598 -0.098 17768
6676 1 14 . 1 1 45 45 PRO CB C 42 36.100 36.100 32.743 3.357 17768
6677 1 14 . 1 1 46 46 TYR N N 43 113.000 113.000 117.279 -4.279 17768
6678 1 14 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.819 0.341 17768
6679 1 14 . 1 1 46 46 TYR CA C 43 57.700 57.700 55.886 1.813 17768
6680 1 14 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.419 1.481 17768
6681 1 14 . 1 1 46 46 TYR H H 43 8.640 8.640 9.254 -0.614 17768
6682 1 14 . 1 1 47 47 VAL N N 44 118.300 118.300 119.800 -1.500 17768
6683 1 14 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.938 0.562 17768
6684 1 14 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.578 0.222 17768
6685 1 14 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.466 -0.166 17768
6686 1 14 . 1 1 47 47 VAL H H 44 8.210 8.210 8.027 0.183 17768
6687 1 14 . 1 1 48 48 VAL N N 45 127.100 127.100 122.508 4.592 17768
6688 1 14 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.333 0.177 17768
6689 1 14 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.708 0.992 17768
6690 1 14 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.560 -0.260 17768
6691 1 14 . 1 1 48 48 VAL H H 45 9.960 9.960 8.576 1.384 17768
6692 1 14 . 1 1 49 49 ILE N N 46 126.500 126.500 123.467 3.033 17768
6693 1 14 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.836 -0.846 17768
6694 1 14 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.354 0.546 17768
6695 1 14 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.077 0.123 17768
6696 1 14 . 1 1 49 49 ILE H H 46 8.160 8.160 8.351 -0.191 17768
6697 1 14 . 1 1 50 50 GLY N N 47 116.200 116.200 113.635 2.565 17768
6698 1 14 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.124 -0.224 17768
6699 1 14 . 1 1 50 50 GLY H H 47 8.100 8.100 8.858 -0.758 17768
6700 1 14 . 1 1 51 51 ASP N N 48 118.000 118.000 118.677 -0.677 17768
6701 1 14 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.729 -0.239 17768
6702 1 14 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.559 1.341 17768
6703 1 14 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.647 -1.147 17768
6704 1 14 . 1 1 51 51 ASP H H 48 8.150 8.150 8.265 -0.115 17768
6705 1 14 . 1 1 52 52 GLN N N 49 118.000 118.000 124.295 -6.295 17768
6706 1 14 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.754 0.156 17768
6707 1 14 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.926 0.074 17768
6708 1 14 . 1 1 52 52 GLN CB C 49 31.100 31.100 31.464 -0.364 17768
6709 1 14 . 1 1 52 52 GLN H H 49 8.400 8.400 8.682 -0.282 17768
6710 1 14 . 1 1 53 53 SER N N 50 115.900 115.900 116.774 -0.874 17768
6711 1 14 . 1 1 53 53 SER CA C 50 58.200 58.200 57.330 0.870 17768
6712 1 14 . 1 1 53 53 SER CB C 50 64.700 64.700 64.008 0.691 17768
6713 1 14 . 1 1 53 53 SER H H 50 8.770 8.770 8.463 0.307 17768
6714 1 14 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.528 -0.228 17768
6715 1 14 . 1 1 57 57 PHE N N 54 126.200 126.200 119.805 6.395 17768
6716 1 14 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.753 0.107 17768
6717 1 14 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.120 -4.020 17768
6718 1 14 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.207 -0.807 17768
6719 1 14 . 1 1 57 57 PHE H H 54 8.620 8.620 7.978 0.642 17768
6720 1 14 . 1 1 59 59 THR HA H 56 4.910 4.910 4.535 0.375 17768
6721 1 14 . 1 1 60 60 LYS N N 57 123.900 123.900 122.305 1.595 17768
6722 1 14 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.386 0.284 17768
6723 1 14 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.791 1.109 17768
6724 1 14 . 1 1 60 60 LYS CB C 57 31.400 31.400 34.427 -3.027 17768
6725 1 14 . 1 1 60 60 LYS H H 57 8.760 8.760 8.499 0.261 17768
6726 1 14 . 1 1 61 61 SER N N 58 113.900 113.900 120.694 -6.794 17768
6727 1 14 . 1 1 61 61 SER HA H 58 4.690 4.690 4.567 0.123 17768
6728 1 14 . 1 1 61 61 SER CA C 58 55.000 55.000 58.444 -3.443 17768
6729 1 14 . 1 1 61 61 SER CB C 58 63.000 63.000 61.263 1.737 17768
6730 1 14 . 1 1 61 61 SER H H 58 8.400 8.400 8.669 -0.269 17768
6731 1 14 . 1 1 66 66 ASN N N 63 117.100 117.100 115.180 1.920 17768
6732 1 14 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.191 0.469 17768
6733 1 14 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.005 1.095 17768
6734 1 14 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.650 0.750 17768
6735 1 14 . 1 1 66 66 ASN H H 63 8.260 8.260 7.957 0.303 17768
6736 1 14 . 1 1 67 67 ILE N N 64 120.300 120.300 122.682 -2.382 17768
6737 1 14 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.466 0.154 17768
6738 1 14 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.282 1.018 17768
6739 1 14 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.118 3.082 17768
6740 1 14 . 1 1 67 67 ILE H H 64 8.910 8.910 8.734 0.176 17768
6741 1 14 . 1 1 68 68 THR N N 65 124.100 124.100 122.748 1.352 17768
6742 1 14 . 1 1 68 68 THR HA H 65 5.490 5.490 4.934 0.556 17768
6743 1 14 . 1 1 68 68 THR CA C 65 61.900 61.900 60.834 1.065 17768
6744 1 14 . 1 1 68 68 THR CB C 65 70.200 70.200 70.314 -0.114 17768
6745 1 14 . 1 1 68 68 THR H H 65 8.940 8.940 8.494 0.446 17768
6746 1 14 . 1 1 69 69 MET N N 66 126.700 126.700 126.911 -0.211 17768
6747 1 14 . 1 1 69 69 MET HA H 66 5.050 5.050 4.661 0.389 17768
6748 1 14 . 1 1 69 69 MET CA C 66 55.100 55.100 55.278 -0.178 17768
6749 1 14 . 1 1 69 69 MET CB C 66 38.100 38.100 36.846 1.254 17768
6750 1 14 . 1 1 69 69 MET H H 66 9.200 9.200 9.063 0.137 17768
6751 1 14 . 1 1 70 70 ASP N N 67 123.500 123.500 123.648 -0.148 17768
6752 1 14 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.361 0.049 17768
6753 1 14 . 1 1 70 70 ASP CA C 67 53.000 53.000 53.275 -0.275 17768
6754 1 14 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.602 -2.102 17768
6755 1 14 . 1 1 70 70 ASP H H 67 7.720 7.720 8.045 -0.325 17768
6756 1 14 . 1 1 71 71 PHE N N 68 116.900 116.900 118.415 -1.515 17768
6757 1 14 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.385 -0.555 17768
6758 1 14 . 1 1 71 71 PHE CA C 68 57.000 57.000 54.069 2.931 17768
6759 1 14 . 1 1 71 71 PHE CB C 68 43.000 43.000 40.743 2.257 17768
6760 1 14 . 1 1 71 71 PHE H H 68 9.130 9.130 8.907 0.223 17768
6761 1 14 . 1 1 72 72 HIS N N 69 120.400 120.400 120.967 -0.567 17768
6762 1 14 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.605 0.825 17768
6763 1 14 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.541 0.659 17768
6764 1 14 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.038 4.062 17768
6765 1 14 . 1 1 72 72 HIS H H 69 9.350 9.350 9.116 0.234 17768
6766 1 14 . 1 1 73 73 VAL N N 70 124.900 124.900 123.462 1.438 17768
6767 1 14 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.346 0.094 17768
6768 1 14 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.392 0.608 17768
6769 1 14 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.436 1.864 17768
6770 1 14 . 1 1 73 73 VAL H H 70 9.610 9.610 8.251 1.359 17768
6771 1 14 . 1 1 74 74 TRP N N 71 129.500 129.500 126.992 2.508 17768
6772 1 14 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.166 -0.226 17768
6773 1 14 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.132 0.668 17768
6774 1 14 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.476 -2.476 17768
6775 1 14 . 1 1 74 74 TRP H H 71 8.790 8.790 9.402 -0.612 17768
6776 1 14 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.371 0.029 17768
6777 1 14 . 1 1 76 76 GLY N N 73 105.500 105.500 107.332 -1.832 17768
6778 1 14 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.026 -0.226 17768
6779 1 14 . 1 1 76 76 GLY H H 73 8.710 8.710 8.586 0.124 17768
6780 1 14 . 1 1 77 77 THR N N 74 114.200 114.200 115.061 -0.861 17768
6781 1 14 . 1 1 77 77 THR HA H 74 4.460 4.460 4.349 0.111 17768
6782 1 14 . 1 1 77 77 THR CA C 74 62.700 62.700 62.924 -0.224 17768
6783 1 14 . 1 1 77 77 THR CB C 74 70.000 70.000 69.117 0.883 17768
6784 1 14 . 1 1 77 77 THR H H 74 9.010 9.010 7.784 1.226 17768
6785 1 14 . 1 1 78 78 THR N N 75 110.800 110.800 116.673 -5.873 17768
6786 1 14 . 1 1 78 78 THR CA C 75 59.100 59.100 60.759 -1.659 17768
6787 1 14 . 1 1 78 78 THR H H 75 7.960 7.960 7.534 0.426 17768
6788 1 14 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.240 2.060 17768
6789 1 14 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.155 0.445 17768
6790 1 14 . 1 1 80 80 ALA N N 77 120.500 120.500 122.499 -1.999 17768
6791 1 14 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.150 -0.130 17768
6792 1 14 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.026 1.375 17768
6793 1 14 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.082 0.618 17768
6794 1 14 . 1 1 80 80 ALA H H 77 8.290 8.290 8.196 0.094 17768
6795 1 14 . 1 1 81 81 GLU N N 78 118.800 118.800 119.717 -0.917 17768
6796 1 14 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.142 -0.102 17768
6797 1 14 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.393 0.307 17768
6798 1 14 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.369 1.131 17768
6799 1 14 . 1 1 81 81 GLU H H 78 7.930 7.930 8.196 -0.266 17768
6800 1 14 . 1 1 82 82 ALA N N 79 119.700 119.700 120.973 -1.273 17768
6801 1 14 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.005 -0.125 17768
6802 1 14 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.734 -0.234 17768
6803 1 14 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.059 0.341 17768
6804 1 14 . 1 1 82 82 ALA H H 79 7.470 7.470 8.353 -0.883 17768
6805 1 14 . 1 1 83 83 GLN N N 80 120.700 120.700 118.211 2.489 17768
6806 1 14 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.091 -0.261 17768
6807 1 14 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.843 0.357 17768
6808 1 14 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.345 0.356 17768
6809 1 14 . 1 1 83 83 GLN H H 80 8.690 8.690 8.009 0.681 17768
6810 1 14 . 1 1 84 84 ASP N N 81 123.100 123.100 121.916 1.184 17768
6811 1 14 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.393 -0.023 17768
6812 1 14 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.753 0.747 17768
6813 1 14 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.645 -0.345 17768
6814 1 14 . 1 1 84 84 ASP H H 81 8.480 8.480 8.112 0.368 17768
6815 1 14 . 1 1 85 85 ILE N N 82 119.300 119.300 116.902 2.398 17768
6816 1 14 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.739 -0.199 17768
6817 1 14 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.961 1.739 17768
6818 1 14 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.407 1.093 17768
6819 1 14 . 1 1 85 85 ILE H H 82 8.340 8.340 8.452 -0.112 17768
6820 1 14 . 1 1 86 86 SER N N 83 114.800 114.800 117.897 -3.097 17768
6821 1 14 . 1 1 86 86 SER HA H 83 4.560 4.560 4.097 0.463 17768
6822 1 14 . 1 1 86 86 SER CA C 83 63.500 63.500 62.450 1.050 17768
6823 1 14 . 1 1 86 86 SER H H 83 7.880 7.880 7.940 -0.060 17768
6824 1 14 . 1 1 87 87 SER N N 84 117.400 117.400 118.171 -0.771 17768
6825 1 14 . 1 1 87 87 SER HA H 84 4.400 4.400 4.236 0.164 17768
6826 1 14 . 1 1 87 87 SER CA C 84 58.100 58.100 62.121 -4.021 17768
6827 1 14 . 1 1 87 87 SER H H 84 8.320 8.320 8.107 0.213 17768
6828 1 14 . 1 1 88 88 ARG N N 85 121.100 121.100 121.813 -0.713 17768
6829 1 14 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.331 -0.241 17768
6830 1 14 . 1 1 88 88 ARG CA C 85 58.700 58.700 57.632 1.068 17768
6831 1 14 . 1 1 88 88 ARG H H 85 7.780 7.780 8.521 -0.741 17768
6832 1 14 . 1 1 89 89 VAL N N 86 121.200 121.200 121.142 0.058 17768
6833 1 14 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.540 -0.180 17768
6834 1 14 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.614 0.886 17768
6835 1 14 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.648 -0.648 17768
6836 1 14 . 1 1 89 89 VAL H H 86 8.190 8.190 8.032 0.158 17768
6837 1 14 . 1 1 90 90 LEU N N 87 117.500 117.500 120.863 -3.363 17768
6838 1 14 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.833 -0.143 17768
6839 1 14 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.507 -0.207 17768
6840 1 14 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.970 -0.670 17768
6841 1 14 . 1 1 90 90 LEU H H 87 7.330 7.330 7.746 -0.416 17768
6842 1 14 . 1 1 91 91 GLU N N 88 118.500 118.500 118.774 -0.274 17768
6843 1 14 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.807 -0.187 17768
6844 1 14 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.163 -0.063 17768
6845 1 14 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.550 1.050 17768
6846 1 14 . 1 1 91 91 GLU H H 88 7.810 7.810 8.282 -0.472 17768
6847 1 14 . 1 1 92 92 ALA N N 89 121.800 121.800 121.832 -0.032 17768
6848 1 14 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.849 -0.789 17768
6849 1 14 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.939 -0.539 17768
6850 1 14 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.409 1.791 17768
6851 1 14 . 1 1 92 92 ALA H H 89 7.820 7.820 7.539 0.281 17768
6852 1 14 . 1 1 93 93 LEU N N 90 113.600 113.600 115.458 -1.858 17768
6853 1 14 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.118 -0.098 17768
6854 1 14 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.090 0.110 17768
6855 1 14 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.064 1.636 17768
6856 1 14 . 1 1 93 93 LEU H H 90 7.570 7.570 7.902 -0.332 17768
6857 1 14 . 1 1 94 94 THR N N 91 102.400 102.400 106.642 -4.242 17768
6858 1 14 . 1 1 94 94 THR HA H 91 4.510 4.510 4.560 -0.050 17768
6859 1 14 . 1 1 94 94 THR CA C 91 61.500 61.500 61.568 -0.068 17768
6860 1 14 . 1 1 94 94 THR CB C 91 71.300 71.300 68.900 2.400 17768
6861 1 14 . 1 1 94 94 THR H H 91 7.280 7.280 7.516 -0.236 17768
6862 1 14 . 1 1 95 95 TYR N N 92 123.600 123.600 123.312 0.288 17768
6863 1 14 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.432 -0.102 17768
6864 1 14 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.185 0.515 17768
6865 1 14 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.198 -1.598 17768
6866 1 14 . 1 1 95 95 TYR H H 92 7.900 7.900 7.565 0.335 17768
6867 1 14 . 1 1 96 96 LYS N N 93 117.500 117.500 120.183 -2.683 17768
6868 1 14 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.505 0.045 17768
6869 1 14 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.235 1.465 17768
6870 1 14 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.875 -0.375 17768
6871 1 14 . 1 1 96 96 LYS H H 93 7.000 7.000 7.529 -0.529 17768
6872 1 14 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.495 -0.125 17768
6873 1 14 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.336 1.264 17768
6874 1 14 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.728 -0.028 17768
6875 1 14 . 1 1 98 98 LEU N N 95 125.400 125.400 121.983 3.417 17768
6876 1 14 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.671 -0.051 17768
6877 1 14 . 1 1 98 98 LEU CA C 95 53.800 53.800 53.977 -0.177 17768
6878 1 14 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.126 3.474 17768
6879 1 14 . 1 1 98 98 LEU H H 95 8.380 8.380 8.724 -0.344 17768
6880 1 14 . 1 1 99 99 MET N N 96 123.100 123.100 121.213 1.887 17768
6881 1 14 . 1 1 99 99 MET HA H 96 5.480 5.480 5.513 -0.033 17768
6882 1 14 . 1 1 99 99 MET CA C 96 55.200 55.200 55.017 0.183 17768
6883 1 14 . 1 1 99 99 MET CB C 96 37.200 37.200 37.583 -0.383 17768
6884 1 14 . 1 1 99 99 MET H H 96 8.480 8.480 8.342 0.138 17768
6885 1 14 . 1 1 100 100 PHE N N 97 122.900 122.900 124.248 -1.348 17768
6886 1 14 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.936 -0.546 17768
6887 1 14 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.399 2.901 17768
6888 1 14 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.221 1.879 17768
6889 1 14 . 1 1 100 100 PHE H H 97 8.640 8.640 8.777 -0.137 17768
6890 1 14 . 1 1 101 101 GLU N N 98 125.300 125.300 126.667 -1.367 17768
6891 1 14 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.829 -0.399 17768
6892 1 14 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.571 1.629 17768
6893 1 14 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.413 0.987 17768
6894 1 14 . 1 1 101 101 GLU H H 98 8.640 8.640 9.055 -0.415 17768
6895 1 14 . 1 1 102 102 GLY N N 99 107.100 107.100 104.241 2.859 17768
6896 1 14 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.929 0.770 17768
6897 1 14 . 1 1 102 102 GLY H H 99 8.250 8.250 8.229 0.021 17768
6898 1 14 . 1 1 103 103 PHE N N 100 120.200 120.200 123.183 -2.983 17768
6899 1 14 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.663 0.067 17768
6900 1 14 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.938 0.962 17768
6901 1 14 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.205 2.796 17768
6902 1 14 . 1 1 103 103 PHE H H 100 8.310 8.310 7.393 0.917 17768
6903 1 14 . 1 1 104 104 THR N N 101 116.100 116.100 123.399 -7.299 17768
6904 1 14 . 1 1 104 104 THR HA H 101 4.970 4.970 5.012 -0.042 17768
6905 1 14 . 1 1 104 104 THR CA C 101 61.900 61.900 61.393 0.507 17768
6906 1 14 . 1 1 104 104 THR CB C 101 71.400 71.400 69.811 1.589 17768
6907 1 14 . 1 1 104 104 THR H H 101 8.250 8.250 7.856 0.394 17768
6908 1 14 . 1 1 105 105 PHE N N 102 123.200 123.200 123.114 0.086 17768
6909 1 14 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.740 0.870 17768
6910 1 14 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.969 -0.369 17768
6911 1 14 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.537 1.063 17768
6912 1 14 . 1 1 105 105 PHE H H 102 8.840 8.840 8.398 0.442 17768
6913 1 14 . 1 1 106 106 VAL N N 103 120.000 120.000 121.970 -1.970 17768
6914 1 14 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.478 0.022 17768
6915 1 14 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.099 0.101 17768
6916 1 14 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.129 2.071 17768
6917 1 14 . 1 1 106 106 VAL H H 103 8.460 8.460 8.301 0.159 17768
6918 1 14 . 1 1 107 107 ALA N N 104 130.400 130.400 130.806 -0.406 17768
6919 1 14 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.196 -0.356 17768
6920 1 14 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.446 0.954 17768
6921 1 14 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.716 -1.916 17768
6922 1 14 . 1 1 107 107 ALA H H 104 9.210 9.210 8.737 0.473 17768
6923 1 14 . 1 1 108 108 LYS N N 105 127.100 127.100 125.016 2.084 17768
6924 1 14 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.477 -0.247 17768
6925 1 14 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.182 1.018 17768
6926 1 14 . 1 1 108 108 LYS H H 105 8.670 8.670 8.645 0.025 17768
6927 1 14 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.108 0.392 17768
6928 1 14 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.505 0.695 17768
6929 1 14 . 1 1 115 115 VAL CB C 112 33.500 33.500 31.128 2.373 17768
6930 1 14 . 1 1 116 116 ILE N N 113 125.200 125.200 127.200 -2.000 17768
6931 1 14 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.407 0.113 17768
6932 1 14 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.064 -0.164 17768
6933 1 14 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.646 1.054 17768
6934 1 14 . 1 1 116 116 ILE H H 113 8.760 8.760 8.144 0.616 17768
6935 1 14 . 1 1 117 117 THR N N 114 119.000 119.000 119.010 -0.010 17768
6936 1 14 . 1 1 117 117 THR HA H 114 4.560 4.560 4.516 0.044 17768
6937 1 14 . 1 1 117 117 THR CA C 114 62.300 62.300 61.762 0.538 17768
6938 1 14 . 1 1 117 117 THR CB C 114 69.400 69.400 69.483 -0.083 17768
6939 1 14 . 1 1 117 117 THR H H 114 8.380 8.380 8.248 0.132 17768
6940 1 14 . 1 1 118 118 ASP N N 115 126.200 126.200 125.762 0.438 17768
6941 1 14 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.815 -0.165 17768
6942 1 14 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.288 1.212 17768
6943 1 14 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.208 0.092 17768
6944 1 14 . 1 1 118 118 ASP H H 115 8.920 8.920 8.582 0.338 17768
6945 1 14 . 1 1 119 119 THR HA H 116 3.990 3.990 4.218 -0.228 17768
6946 1 14 . 1 1 119 119 THR CA C 116 64.800 64.800 64.473 0.327 17768
6947 1 14 . 1 1 119 119 THR CB C 116 69.200 69.200 68.867 0.333 17768
6948 1 14 . 1 1 120 120 ASP N N 117 120.500 120.500 120.807 -0.307 17768
6949 1 14 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.175 0.625 17768
6950 1 14 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.849 -1.149 17768
6951 1 14 . 1 1 120 120 ASP H H 117 8.360 8.360 8.110 0.250 17768
6952 1 14 . 1 1 121 121 GLY N N 118 108.600 108.600 109.601 -1.001 17768
6953 1 14 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.182 0.618 17768
6954 1 14 . 1 1 121 121 GLY H H 118 8.310 8.310 7.771 0.539 17768
6955 1 14 . 1 1 122 122 VAL N N 119 118.600 118.600 119.611 -1.011 17768
6956 1 14 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.277 -0.077 17768
6957 1 14 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.164 2.036 17768
6958 1 14 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.434 2.566 17768
6959 1 14 . 1 1 122 122 VAL H H 119 8.500 8.500 7.808 0.692 17768
6960 1 14 . 1 1 123 123 THR N N 120 123.300 123.300 121.440 1.860 17768
6961 1 14 . 1 1 123 123 THR HA H 120 4.030 4.030 4.366 -0.336 17768
6962 1 14 . 1 1 123 123 THR CA C 120 64.800 64.800 63.250 1.550 17768
6963 1 14 . 1 1 123 123 THR CB C 120 68.400 68.400 69.515 -1.115 17768
6964 1 14 . 1 1 123 123 THR H H 120 9.700 9.700 8.395 1.305 17768
6965 1 14 . 1 1 124 124 LYS N N 121 125.500 125.500 126.179 -0.679 17768
6966 1 14 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.725 -0.175 17768
6967 1 14 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.473 -1.173 17768
6968 1 14 . 1 1 124 124 LYS H H 121 8.650 8.650 8.508 0.142 17768
6969 1 14 . 1 1 125 125 HIS N N 122 121.400 121.400 120.052 1.348 17768
6970 1 14 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.231 -0.151 17768
6971 1 14 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.193 -2.593 17768
6972 1 14 . 1 1 125 125 HIS CB C 122 31.600 31.600 31.940 -0.340 17768
6973 1 14 . 1 1 125 125 HIS H H 122 8.580 8.580 8.421 0.159 17768
6974 1 14 . 1 1 126 126 GLY N N 123 114.000 114.000 111.202 2.798 17768
6975 1 14 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.455 -0.255 17768
6976 1 14 . 1 1 126 126 GLY H H 123 10.010 10.010 8.402 1.608 17768
6977 1 14 . 1 1 127 127 ILE N N 124 124.000 124.000 124.416 -0.416 17768
6978 1 14 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.493 -0.013 17768
6979 1 14 . 1 1 127 127 ILE CA C 124 60.700 60.700 58.761 1.939 17768
6980 1 14 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.989 1.111 17768
6981 1 14 . 1 1 127 127 ILE H H 124 8.740 8.740 8.038 0.702 17768
6982 1 14 . 1 1 128 128 ILE N N 125 126.200 126.200 130.925 -4.725 17768
6983 1 14 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.412 0.368 17768
6984 1 14 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.290 -0.190 17768
6985 1 14 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.541 2.260 17768
6986 1 14 . 1 1 128 128 ILE H H 125 8.640 8.640 8.750 -0.110 17768
6987 1 14 . 1 1 129 129 LYS N N 126 126.300 126.300 129.173 -2.873 17768
6988 1 14 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.972 0.438 17768
6989 1 14 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.078 0.522 17768
6990 1 14 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.033 1.067 17768
6991 1 14 . 1 1 129 129 LYS H H 126 8.990 8.990 8.582 0.408 17768
6992 1 14 . 1 1 130 130 VAL N N 127 126.300 126.300 123.444 2.856 17768
6993 1 14 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.476 0.084 17768
6994 1 14 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.510 1.590 17768
6995 1 14 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.722 0.278 17768
6996 1 14 . 1 1 130 130 VAL H H 127 8.880 8.880 8.766 0.114 17768
6997 1 14 . 1 1 131 131 ARG N N 128 126.600 126.600 123.773 2.827 17768
6998 1 14 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.289 -0.329 17768
6999 1 14 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.573 2.027 17768
7000 1 14 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.461 0.139 17768
7001 1 14 . 1 1 131 131 ARG H H 128 8.720 8.720 7.853 0.867 17768
7002 1 14 . 1 1 132 132 PHE N N 129 125.700 125.700 120.647 5.053 17768
7003 1 14 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.593 0.017 17768
7004 1 14 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.101 0.499 17768
7005 1 14 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.402 -0.002 17768
7006 1 14 . 1 1 132 132 PHE H H 129 9.720 9.720 9.310 0.410 17768
7007 1 14 . 1 1 133 133 THR N N 130 114.700 114.700 117.979 -3.279 17768
7008 1 14 . 1 1 133 133 THR HA H 130 5.070 5.070 4.972 0.098 17768
7009 1 14 . 1 1 133 133 THR CA C 130 61.800 61.800 61.778 0.022 17768
7010 1 14 . 1 1 133 133 THR CB C 130 71.100 71.100 71.520 -0.420 17768
7011 1 14 . 1 1 133 133 THR H H 130 9.100 9.100 9.049 0.051 17768
7012 1 14 . 1 1 134 134 ILE N N 131 123.000 123.000 120.861 2.139 17768
7013 1 14 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.030 1.370 17768
7014 1 14 . 1 1 134 134 ILE H H 131 8.400 8.400 8.102 0.298 17768
7015 1 15 . 1 1 6 6 TRP HA H 3 4.240 4.240 5.265 -1.025 17768
7016 1 15 . 1 1 6 6 TRP CB C 3 29.900 29.900 29.737 0.163 17768
7017 1 15 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.904 0.896 17768
7018 1 15 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.864 -2.163 17768
7019 1 15 . 1 1 9 9 ALA N N 6 122.500 122.500 122.308 0.192 17768
7020 1 15 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.068 -1.088 17768
7021 1 15 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.318 -0.618 17768
7022 1 15 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.093 0.707 17768
7023 1 15 . 1 1 9 9 ALA H H 6 8.150 8.150 8.009 0.141 17768
7024 1 15 . 1 1 10 10 SER N N 7 112.300 112.300 113.432 -1.132 17768
7025 1 15 . 1 1 10 10 SER HA H 7 3.660 3.660 4.297 -0.637 17768
7026 1 15 . 1 1 10 10 SER CA C 7 62.300 62.300 61.933 0.367 17768
7027 1 15 . 1 1 10 10 SER H H 7 7.910 7.910 8.411 -0.501 17768
7028 1 15 . 1 1 11 11 ARG N N 8 122.300 122.300 120.519 1.781 17768
7029 1 15 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.023 -0.073 17768
7030 1 15 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.682 -0.082 17768
7031 1 15 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.233 -0.433 17768
7032 1 15 . 1 1 11 11 ARG H H 8 7.390 7.390 7.617 -0.227 17768
7033 1 15 . 1 1 12 12 ALA N N 9 121.500 121.500 122.544 -1.044 17768
7034 1 15 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.707 0.163 17768
7035 1 15 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.440 0.560 17768
7036 1 15 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.504 1.696 17768
7037 1 15 . 1 1 12 12 ALA H H 9 7.720 7.720 7.968 -0.248 17768
7038 1 15 . 1 1 13 13 LEU N N 10 119.000 119.000 117.529 1.471 17768
7039 1 15 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.066 -1.156 17768
7040 1 15 . 1 1 13 13 LEU CA C 10 57.600 57.600 56.591 1.009 17768
7041 1 15 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.736 0.264 17768
7042 1 15 . 1 1 13 13 LEU H H 10 7.940 7.940 7.469 0.471 17768
7043 1 15 . 1 1 14 14 GLN N N 11 119.300 119.300 119.490 -0.190 17768
7044 1 15 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.920 -0.570 17768
7045 1 15 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.825 1.875 17768
7046 1 15 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.456 -0.456 17768
7047 1 15 . 1 1 14 14 GLN H H 11 7.390 7.390 8.169 -0.779 17768
7048 1 15 . 1 1 15 15 LYS N N 12 116.200 116.200 119.739 -3.539 17768
7049 1 15 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.068 -0.448 17768
7050 1 15 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.674 -0.374 17768
7051 1 15 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.340 0.460 17768
7052 1 15 . 1 1 15 15 LYS H H 12 7.470 7.470 7.569 -0.099 17768
7053 1 15 . 1 1 16 16 ALA N N 13 121.700 121.700 122.249 -0.549 17768
7054 1 15 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.219 -0.049 17768
7055 1 15 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.100 0.300 17768
7056 1 15 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.438 1.162 17768
7057 1 15 . 1 1 16 16 ALA H H 13 8.560 8.560 7.988 0.572 17768
7058 1 15 . 1 1 17 17 THR N N 14 108.700 108.700 116.874 -8.174 17768
7059 1 15 . 1 1 17 17 THR HA H 14 3.650 3.650 3.997 -0.347 17768
7060 1 15 . 1 1 17 17 THR CA C 14 66.500 66.500 67.106 -0.606 17768
7061 1 15 . 1 1 17 17 THR CB C 14 69.300 69.300 68.794 0.506 17768
7062 1 15 . 1 1 17 17 THR H H 14 8.210 8.210 8.205 0.005 17768
7063 1 15 . 1 1 18 18 VAL N N 15 122.600 122.600 121.316 1.284 17768
7064 1 15 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.724 -0.324 17768
7065 1 15 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.228 2.172 17768
7066 1 15 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.804 -0.304 17768
7067 1 15 . 1 1 18 18 VAL H H 15 7.570 7.570 8.417 -0.847 17768
7068 1 15 . 1 1 19 19 GLU N N 16 117.400 117.400 120.226 -2.826 17768
7069 1 15 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.079 0.091 17768
7070 1 15 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.323 0.377 17768
7071 1 15 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.301 -0.101 17768
7072 1 15 . 1 1 19 19 GLU H H 16 7.560 7.560 8.219 -0.659 17768
7073 1 15 . 1 1 20 20 ASN N N 17 120.900 120.900 119.105 1.795 17768
7074 1 15 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.597 -0.367 17768
7075 1 15 . 1 1 20 20 ASN CA C 17 57.200 57.200 55.953 1.247 17768
7076 1 15 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.144 -0.244 17768
7077 1 15 . 1 1 20 20 ASN H H 17 8.150 8.150 7.993 0.157 17768
7078 1 15 . 1 1 21 21 LEU N N 18 119.500 119.500 119.329 0.171 17768
7079 1 15 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.072 -0.152 17768
7080 1 15 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.928 2.172 17768
7081 1 15 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.791 0.809 17768
7082 1 15 . 1 1 21 21 LEU H H 18 8.500 8.500 8.182 0.318 17768
7083 1 15 . 1 1 22 22 GLU N N 19 112.100 112.100 116.068 -3.968 17768
7084 1 15 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.171 0.429 17768
7085 1 15 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.043 0.657 17768
7086 1 15 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.678 0.522 17768
7087 1 15 . 1 1 22 22 GLU H H 19 8.450 8.450 8.078 0.372 17768
7088 1 15 . 1 1 23 23 SER N N 20 110.300 110.300 115.009 -4.709 17768
7089 1 15 . 1 1 23 23 SER HA H 20 4.490 4.490 4.507 -0.017 17768
7090 1 15 . 1 1 23 23 SER CA C 20 58.600 58.600 60.270 -1.670 17768
7091 1 15 . 1 1 23 23 SER H H 20 7.570 7.570 7.786 -0.216 17768
7092 1 15 . 1 1 24 24 TYR N N 21 125.300 125.300 125.373 -0.073 17768
7093 1 15 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.082 0.498 17768
7094 1 15 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.775 1.925 17768
7095 1 15 . 1 1 24 24 TYR CB C 21 37.400 37.400 38.064 -0.664 17768
7096 1 15 . 1 1 24 24 TYR H H 21 7.560 7.560 8.059 -0.499 17768
7097 1 15 . 1 1 25 25 GLN N N 22 130.000 130.000 128.398 1.602 17768
7098 1 15 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.849 0.001 17768
7099 1 15 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.853 0.946 17768
7100 1 15 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.369 0.931 17768
7101 1 15 . 1 1 25 25 GLN H H 22 8.710 8.710 8.473 0.237 17768
7102 1 15 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.109 -0.099 17768
7103 1 15 . 1 1 27 27 LEU N N 24 112.400 112.400 117.731 -5.331 17768
7104 1 15 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.223 -0.013 17768
7105 1 15 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.030 0.270 17768
7106 1 15 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.056 1.044 17768
7107 1 15 . 1 1 27 27 LEU H H 24 6.720 6.720 7.412 -0.692 17768
7108 1 15 . 1 1 28 28 MET N N 25 116.900 116.900 115.634 1.266 17768
7109 1 15 . 1 1 28 28 MET HA H 25 4.510 4.510 4.228 0.282 17768
7110 1 15 . 1 1 28 28 MET CA C 25 55.900 55.900 58.307 -2.407 17768
7111 1 15 . 1 1 28 28 MET CB C 25 29.100 29.100 32.209 -3.109 17768
7112 1 15 . 1 1 28 28 MET H H 25 7.620 7.620 8.069 -0.449 17768
7113 1 15 . 1 1 29 29 GLU N N 26 116.100 116.100 119.174 -3.074 17768
7114 1 15 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.178 -0.038 17768
7115 1 15 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.146 0.254 17768
7116 1 15 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.665 0.635 17768
7117 1 15 . 1 1 29 29 GLU H H 26 8.060 8.060 7.756 0.304 17768
7118 1 15 . 1 1 30 30 MET N N 27 115.100 115.100 116.359 -1.259 17768
7119 1 15 . 1 1 30 30 MET HA H 27 4.450 4.450 4.499 -0.049 17768
7120 1 15 . 1 1 30 30 MET CA C 27 57.000 57.000 55.157 1.843 17768
7121 1 15 . 1 1 30 30 MET CB C 27 36.500 36.500 34.407 2.093 17768
7122 1 15 . 1 1 30 30 MET H H 27 7.920 7.920 7.435 0.485 17768
7123 1 15 . 1 1 31 31 VAL N N 28 107.100 107.100 114.736 -7.636 17768
7124 1 15 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.714 -0.004 17768
7125 1 15 . 1 1 31 31 VAL CA C 28 58.600 58.600 59.996 -1.396 17768
7126 1 15 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.575 1.925 17768
7127 1 15 . 1 1 31 31 VAL H H 28 7.180 7.180 7.709 -0.529 17768
7128 1 15 . 1 1 32 32 ASN N N 29 115.300 115.300 120.593 -5.293 17768
7129 1 15 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.776 -0.076 17768
7130 1 15 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.641 2.159 17768
7131 1 15 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.634 0.766 17768
7132 1 15 . 1 1 32 32 ASN H H 29 8.670 8.670 8.620 0.050 17768
7133 1 15 . 1 1 33 33 GLN N N 30 108.900 108.900 118.260 -9.360 17768
7134 1 15 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.542 0.078 17768
7135 1 15 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.352 1.248 17768
7136 1 15 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.326 1.074 17768
7137 1 15 . 1 1 33 33 GLN H H 30 7.190 7.190 8.150 -0.960 17768
7138 1 15 . 1 1 34 34 VAL N N 31 122.000 122.000 121.983 0.017 17768
7139 1 15 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.901 0.009 17768
7140 1 15 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.110 0.490 17768
7141 1 15 . 1 1 34 34 VAL CB C 31 33.800 33.800 30.866 2.934 17768
7142 1 15 . 1 1 34 34 VAL H H 31 8.860 8.860 8.174 0.686 17768
7143 1 15 . 1 1 35 35 THR N N 32 119.200 119.200 121.257 -2.057 17768
7144 1 15 . 1 1 35 35 THR HA H 32 4.900 4.900 4.733 0.167 17768
7145 1 15 . 1 1 35 35 THR CA C 32 59.100 59.100 59.846 -0.746 17768
7146 1 15 . 1 1 35 35 THR CB C 32 70.100 70.100 70.671 -0.572 17768
7147 1 15 . 1 1 35 35 THR H H 32 8.910 8.910 8.835 0.075 17768
7148 1 15 . 1 1 36 36 GLU H H 33 8.200 8.200 9.019 -0.819 17768
7149 1 15 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.583 -0.463 17768
7150 1 15 . 1 1 39 39 GLY N N 36 111.100 111.100 111.983 -0.883 17768
7151 1 15 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.886 -1.186 17768
7152 1 15 . 1 1 39 39 GLY H H 36 8.570 8.570 8.836 -0.266 17768
7153 1 15 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.276 -0.456 17768
7154 1 15 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.783 0.017 17768
7155 1 15 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.503 1.097 17768
7156 1 15 . 1 1 40 40 LYS H H 37 7.070 7.070 7.741 -0.671 17768
7157 1 15 . 1 1 41 41 ASP N N 38 116.100 116.100 114.720 1.380 17768
7158 1 15 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.863 -0.293 17768
7159 1 15 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.497 1.003 17768
7160 1 15 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.420 0.380 17768
7161 1 15 . 1 1 41 41 ASP H H 38 8.250 8.250 8.102 0.148 17768
7162 1 15 . 1 1 42 42 ASP N N 39 123.300 123.300 121.636 1.664 17768
7163 1 15 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.734 -0.284 17768
7164 1 15 . 1 1 42 42 ASP CA C 39 53.500 53.500 51.756 1.744 17768
7165 1 15 . 1 1 42 42 ASP CB C 39 39.300 39.300 42.496 -3.196 17768
7166 1 15 . 1 1 42 42 ASP H H 39 7.070 7.070 7.732 -0.662 17768
7167 1 15 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.071 0.229 17768
7168 1 15 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.587 -0.087 17768
7169 1 15 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.611 -0.512 17768
7170 1 15 . 1 1 44 44 TYR N N 41 122.700 122.700 118.382 4.318 17768
7171 1 15 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.859 -0.259 17768
7172 1 15 . 1 1 44 44 TYR CA C 41 55.100 55.100 57.691 -2.591 17768
7173 1 15 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.931 -0.431 17768
7174 1 15 . 1 1 44 44 TYR H H 41 8.200 8.200 8.326 -0.126 17768
7175 1 15 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.120 0.480 17768
7176 1 15 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.562 -0.062 17768
7177 1 15 . 1 1 45 45 PRO CB C 42 36.100 36.100 32.850 3.250 17768
7178 1 15 . 1 1 46 46 TYR N N 43 113.000 113.000 116.486 -3.486 17768
7179 1 15 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.851 0.309 17768
7180 1 15 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.580 0.120 17768
7181 1 15 . 1 1 46 46 TYR CB C 43 40.900 40.900 40.457 0.443 17768
7182 1 15 . 1 1 46 46 TYR H H 43 8.640 8.640 9.116 -0.476 17768
7183 1 15 . 1 1 47 47 VAL N N 44 118.300 118.300 120.284 -1.984 17768
7184 1 15 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.888 0.612 17768
7185 1 15 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.622 0.178 17768
7186 1 15 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.293 0.007 17768
7187 1 15 . 1 1 47 47 VAL H H 44 8.210 8.210 8.185 0.025 17768
7188 1 15 . 1 1 48 48 VAL N N 45 127.100 127.100 122.577 4.523 17768
7189 1 15 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.318 0.192 17768
7190 1 15 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.173 0.527 17768
7191 1 15 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.063 0.237 17768
7192 1 15 . 1 1 48 48 VAL H H 45 9.960 9.960 8.410 1.550 17768
7193 1 15 . 1 1 49 49 ILE N N 46 126.500 126.500 124.961 1.539 17768
7194 1 15 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.599 -0.609 17768
7195 1 15 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.855 0.046 17768
7196 1 15 . 1 1 49 49 ILE CB C 46 38.200 38.200 36.781 1.419 17768
7197 1 15 . 1 1 49 49 ILE H H 46 8.160 8.160 7.964 0.196 17768
7198 1 15 . 1 1 50 50 GLY N N 47 116.200 116.200 114.555 1.645 17768
7199 1 15 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.509 -0.609 17768
7200 1 15 . 1 1 50 50 GLY H H 47 8.100 8.100 8.555 -0.455 17768
7201 1 15 . 1 1 51 51 ASP N N 48 118.000 118.000 118.677 -0.677 17768
7202 1 15 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.106 -0.616 17768
7203 1 15 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.387 1.513 17768
7204 1 15 . 1 1 51 51 ASP CB C 48 42.500 42.500 42.976 -0.476 17768
7205 1 15 . 1 1 51 51 ASP H H 48 8.150 8.150 8.275 -0.125 17768
7206 1 15 . 1 1 52 52 GLN N N 49 118.000 118.000 124.294 -6.294 17768
7207 1 15 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.708 0.202 17768
7208 1 15 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.687 0.313 17768
7209 1 15 . 1 1 52 52 GLN CB C 49 31.100 31.100 31.601 -0.500 17768
7210 1 15 . 1 1 52 52 GLN H H 49 8.400 8.400 8.557 -0.157 17768
7211 1 15 . 1 1 53 53 SER N N 50 115.900 115.900 115.123 0.777 17768
7212 1 15 . 1 1 53 53 SER CA C 50 58.200 58.200 58.481 -0.281 17768
7213 1 15 . 1 1 53 53 SER CB C 50 64.700 64.700 62.651 2.049 17768
7214 1 15 . 1 1 53 53 SER H H 50 8.770 8.770 8.437 0.333 17768
7215 1 15 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.576 -0.276 17768
7216 1 15 . 1 1 57 57 PHE N N 54 126.200 126.200 126.236 -0.036 17768
7217 1 15 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.743 0.117 17768
7218 1 15 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.160 -4.060 17768
7219 1 15 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.617 -0.217 17768
7220 1 15 . 1 1 57 57 PHE H H 54 8.620 8.620 8.733 -0.113 17768
7221 1 15 . 1 1 59 59 THR HA H 56 4.910 4.910 4.293 0.617 17768
7222 1 15 . 1 1 60 60 LYS N N 57 123.900 123.900 119.345 4.555 17768
7223 1 15 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.618 0.052 17768
7224 1 15 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.488 1.412 17768
7225 1 15 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.594 -2.194 17768
7226 1 15 . 1 1 60 60 LYS H H 57 8.760 8.760 8.234 0.526 17768
7227 1 15 . 1 1 61 61 SER N N 58 113.900 113.900 114.884 -0.984 17768
7228 1 15 . 1 1 61 61 SER HA H 58 4.690 4.690 4.682 0.008 17768
7229 1 15 . 1 1 61 61 SER CA C 58 55.000 55.000 57.909 -2.909 17768
7230 1 15 . 1 1 61 61 SER CB C 58 63.000 63.000 64.183 -1.183 17768
7231 1 15 . 1 1 61 61 SER H H 58 8.400 8.400 8.274 0.126 17768
7232 1 15 . 1 1 66 66 ASN N N 63 117.100 117.100 118.351 -1.251 17768
7233 1 15 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.378 0.282 17768
7234 1 15 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.026 1.074 17768
7235 1 15 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.713 -0.313 17768
7236 1 15 . 1 1 66 66 ASN H H 63 8.260 8.260 8.038 0.222 17768
7237 1 15 . 1 1 67 67 ILE N N 64 120.300 120.300 121.843 -1.543 17768
7238 1 15 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.512 0.108 17768
7239 1 15 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.151 2.149 17768
7240 1 15 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.714 4.486 17768
7241 1 15 . 1 1 67 67 ILE H H 64 8.910 8.910 8.811 0.099 17768
7242 1 15 . 1 1 68 68 THR N N 65 124.100 124.100 119.684 4.416 17768
7243 1 15 . 1 1 68 68 THR HA H 65 5.490 5.490 4.560 0.930 17768
7244 1 15 . 1 1 68 68 THR CA C 65 61.900 61.900 60.635 1.265 17768
7245 1 15 . 1 1 68 68 THR CB C 65 70.200 70.200 69.934 0.266 17768
7246 1 15 . 1 1 68 68 THR H H 65 8.940 8.940 8.423 0.517 17768
7247 1 15 . 1 1 69 69 MET N N 66 126.700 126.700 122.772 3.928 17768
7248 1 15 . 1 1 69 69 MET HA H 66 5.050 5.050 4.787 0.263 17768
7249 1 15 . 1 1 69 69 MET CA C 66 55.100 55.100 54.825 0.275 17768
7250 1 15 . 1 1 69 69 MET CB C 66 38.100 38.100 36.533 1.567 17768
7251 1 15 . 1 1 69 69 MET H H 66 9.200 9.200 8.948 0.252 17768
7252 1 15 . 1 1 70 70 ASP N N 67 123.500 123.500 121.841 1.659 17768
7253 1 15 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.451 -0.041 17768
7254 1 15 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.691 0.309 17768
7255 1 15 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.749 -1.250 17768
7256 1 15 . 1 1 70 70 ASP H H 67 7.720 7.720 8.022 -0.302 17768
7257 1 15 . 1 1 71 71 PHE N N 68 116.900 116.900 116.704 0.196 17768
7258 1 15 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.338 -0.508 17768
7259 1 15 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.028 1.972 17768
7260 1 15 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.438 1.562 17768
7261 1 15 . 1 1 71 71 PHE H H 68 9.130 9.130 8.738 0.392 17768
7262 1 15 . 1 1 72 72 HIS N N 69 120.400 120.400 119.602 0.798 17768
7263 1 15 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.872 0.558 17768
7264 1 15 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.615 0.585 17768
7265 1 15 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.828 3.272 17768
7266 1 15 . 1 1 72 72 HIS H H 69 9.350 9.350 9.323 0.027 17768
7267 1 15 . 1 1 73 73 VAL N N 70 124.900 124.900 124.052 0.848 17768
7268 1 15 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.543 -0.103 17768
7269 1 15 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.121 1.879 17768
7270 1 15 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.032 0.268 17768
7271 1 15 . 1 1 73 73 VAL H H 70 9.610 9.610 8.719 0.891 17768
7272 1 15 . 1 1 74 74 TRP N N 71 129.500 129.500 128.067 1.433 17768
7273 1 15 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.161 -0.221 17768
7274 1 15 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.128 0.672 17768
7275 1 15 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.851 -1.851 17768
7276 1 15 . 1 1 74 74 TRP H H 71 8.790 8.790 9.161 -0.371 17768
7277 1 15 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.743 -0.343 17768
7278 1 15 . 1 1 76 76 GLY N N 73 105.500 105.500 108.883 -3.383 17768
7279 1 15 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.758 -0.958 17768
7280 1 15 . 1 1 76 76 GLY H H 73 8.710 8.710 8.200 0.510 17768
7281 1 15 . 1 1 77 77 THR N N 74 114.200 114.200 117.879 -3.679 17768
7282 1 15 . 1 1 77 77 THR HA H 74 4.460 4.460 4.502 -0.042 17768
7283 1 15 . 1 1 77 77 THR CA C 74 62.700 62.700 62.700 -0.000 17768
7284 1 15 . 1 1 77 77 THR CB C 74 70.000 70.000 70.887 -0.887 17768
7285 1 15 . 1 1 77 77 THR H H 74 9.010 9.010 7.845 1.165 17768
7286 1 15 . 1 1 78 78 THR N N 75 110.800 110.800 116.407 -5.607 17768
7287 1 15 . 1 1 78 78 THR CA C 75 59.100 59.100 61.304 -2.204 17768
7288 1 15 . 1 1 78 78 THR H H 75 7.960 7.960 7.669 0.291 17768
7289 1 15 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.213 1.087 17768
7290 1 15 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.398 -0.798 17768
7291 1 15 . 1 1 80 80 ALA N N 77 120.500 120.500 120.064 0.436 17768
7292 1 15 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.132 -0.112 17768
7293 1 15 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.850 0.550 17768
7294 1 15 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.409 0.291 17768
7295 1 15 . 1 1 80 80 ALA H H 77 8.290 8.290 8.413 -0.123 17768
7296 1 15 . 1 1 81 81 GLU N N 78 118.800 118.800 118.075 0.725 17768
7297 1 15 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.079 -0.039 17768
7298 1 15 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.977 0.723 17768
7299 1 15 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.111 1.389 17768
7300 1 15 . 1 1 81 81 GLU H H 78 7.930 7.930 7.981 -0.051 17768
7301 1 15 . 1 1 82 82 ALA N N 79 119.700 119.700 121.809 -2.109 17768
7302 1 15 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.072 -0.192 17768
7303 1 15 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.656 -0.156 17768
7304 1 15 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.363 0.037 17768
7305 1 15 . 1 1 82 82 ALA H H 79 7.470 7.470 7.700 -0.230 17768
7306 1 15 . 1 1 83 83 GLN N N 80 120.700 120.700 117.782 2.918 17768
7307 1 15 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.231 -0.401 17768
7308 1 15 . 1 1 83 83 GLN CA C 80 59.200 59.200 57.683 1.517 17768
7309 1 15 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.051 0.649 17768
7310 1 15 . 1 1 83 83 GLN H H 80 8.690 8.690 7.869 0.821 17768
7311 1 15 . 1 1 84 84 ASP N N 81 123.100 123.100 121.805 1.295 17768
7312 1 15 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.451 -0.081 17768
7313 1 15 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.393 1.107 17768
7314 1 15 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.552 -0.252 17768
7315 1 15 . 1 1 84 84 ASP H H 81 8.480 8.480 7.972 0.508 17768
7316 1 15 . 1 1 85 85 ILE N N 82 119.300 119.300 116.213 3.087 17768
7317 1 15 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.917 -0.377 17768
7318 1 15 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.969 1.731 17768
7319 1 15 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.915 0.585 17768
7320 1 15 . 1 1 85 85 ILE H H 82 8.340 8.340 8.384 -0.044 17768
7321 1 15 . 1 1 86 86 SER N N 83 114.800 114.800 117.918 -3.118 17768
7322 1 15 . 1 1 86 86 SER HA H 83 4.560 4.560 4.144 0.416 17768
7323 1 15 . 1 1 86 86 SER CA C 83 63.500 63.500 62.087 1.413 17768
7324 1 15 . 1 1 86 86 SER H H 83 7.880 7.880 8.255 -0.375 17768
7325 1 15 . 1 1 87 87 SER N N 84 117.400 117.400 119.780 -2.380 17768
7326 1 15 . 1 1 87 87 SER HA H 84 4.400 4.400 4.197 0.203 17768
7327 1 15 . 1 1 87 87 SER CA C 84 58.100 58.100 62.102 -4.002 17768
7328 1 15 . 1 1 87 87 SER H H 84 8.320 8.320 8.281 0.039 17768
7329 1 15 . 1 1 88 88 ARG N N 85 121.100 121.100 120.901 0.199 17768
7330 1 15 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.332 -0.242 17768
7331 1 15 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.312 0.388 17768
7332 1 15 . 1 1 88 88 ARG H H 85 7.780 7.780 7.900 -0.120 17768
7333 1 15 . 1 1 89 89 VAL N N 86 121.200 121.200 120.984 0.216 17768
7334 1 15 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.688 -0.328 17768
7335 1 15 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.235 1.265 17768
7336 1 15 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.671 -0.671 17768
7337 1 15 . 1 1 89 89 VAL H H 86 8.190 8.190 7.999 0.191 17768
7338 1 15 . 1 1 90 90 LEU N N 87 117.500 117.500 119.638 -2.138 17768
7339 1 15 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.942 -0.252 17768
7340 1 15 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.175 0.125 17768
7341 1 15 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.114 0.187 17768
7342 1 15 . 1 1 90 90 LEU H H 87 7.330 7.330 7.906 -0.576 17768
7343 1 15 . 1 1 91 91 GLU N N 88 118.500 118.500 119.858 -1.358 17768
7344 1 15 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.969 -0.349 17768
7345 1 15 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.932 0.168 17768
7346 1 15 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.201 1.399 17768
7347 1 15 . 1 1 91 91 GLU H H 88 7.810 7.810 7.882 -0.072 17768
7348 1 15 . 1 1 92 92 ALA N N 89 121.800 121.800 121.051 0.749 17768
7349 1 15 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.806 -0.746 17768
7350 1 15 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.858 -0.458 17768
7351 1 15 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.901 1.299 17768
7352 1 15 . 1 1 92 92 ALA H H 89 7.820 7.820 7.716 0.104 17768
7353 1 15 . 1 1 93 93 LEU N N 90 113.600 113.600 118.117 -4.517 17768
7354 1 15 . 1 1 93 93 LEU HA H 90 4.020 4.020 3.978 0.042 17768
7355 1 15 . 1 1 93 93 LEU CA C 90 57.200 57.200 58.280 -1.080 17768
7356 1 15 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.052 1.648 17768
7357 1 15 . 1 1 93 93 LEU H H 90 7.570 7.570 8.146 -0.576 17768
7358 1 15 . 1 1 94 94 THR N N 91 102.400 102.400 108.844 -6.444 17768
7359 1 15 . 1 1 94 94 THR HA H 91 4.510 4.510 4.415 0.095 17768
7360 1 15 . 1 1 94 94 THR CA C 91 61.500 61.500 62.813 -1.313 17768
7361 1 15 . 1 1 94 94 THR CB C 91 71.300 71.300 68.599 2.701 17768
7362 1 15 . 1 1 94 94 THR H H 91 7.280 7.280 7.603 -0.323 17768
7363 1 15 . 1 1 95 95 TYR N N 92 123.600 123.600 122.636 0.964 17768
7364 1 15 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.310 0.020 17768
7365 1 15 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.843 -0.143 17768
7366 1 15 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.446 -1.846 17768
7367 1 15 . 1 1 95 95 TYR H H 92 7.900 7.900 7.489 0.411 17768
7368 1 15 . 1 1 96 96 LYS N N 93 117.500 117.500 120.559 -3.059 17768
7369 1 15 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.455 0.095 17768
7370 1 15 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.332 1.368 17768
7371 1 15 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.612 -0.112 17768
7372 1 15 . 1 1 96 96 LYS H H 93 7.000 7.000 7.505 -0.505 17768
7373 1 15 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.484 -0.114 17768
7374 1 15 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.053 1.547 17768
7375 1 15 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.920 -0.220 17768
7376 1 15 . 1 1 98 98 LEU N N 95 125.400 125.400 121.083 4.317 17768
7377 1 15 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.435 0.185 17768
7378 1 15 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.641 -0.841 17768
7379 1 15 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.869 2.731 17768
7380 1 15 . 1 1 98 98 LEU H H 95 8.380 8.380 8.606 -0.226 17768
7381 1 15 . 1 1 99 99 MET N N 96 123.100 123.100 123.845 -0.745 17768
7382 1 15 . 1 1 99 99 MET HA H 96 5.480 5.480 5.548 -0.068 17768
7383 1 15 . 1 1 99 99 MET CA C 96 55.200 55.200 54.624 0.576 17768
7384 1 15 . 1 1 99 99 MET CB C 96 37.200 37.200 36.989 0.211 17768
7385 1 15 . 1 1 99 99 MET H H 96 8.480 8.480 8.225 0.255 17768
7386 1 15 . 1 1 100 100 PHE N N 97 122.900 122.900 125.392 -2.492 17768
7387 1 15 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.031 -0.641 17768
7388 1 15 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.696 2.604 17768
7389 1 15 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.589 1.512 17768
7390 1 15 . 1 1 100 100 PHE H H 97 8.640 8.640 9.434 -0.794 17768
7391 1 15 . 1 1 101 101 GLU N N 98 125.300 125.300 126.405 -1.105 17768
7392 1 15 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.756 -0.326 17768
7393 1 15 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.560 1.640 17768
7394 1 15 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.005 0.395 17768
7395 1 15 . 1 1 101 101 GLU H H 98 8.640 8.640 8.991 -0.351 17768
7396 1 15 . 1 1 102 102 GLY N N 99 107.100 107.100 102.311 4.789 17768
7397 1 15 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.988 0.712 17768
7398 1 15 . 1 1 102 102 GLY H H 99 8.250 8.250 8.097 0.153 17768
7399 1 15 . 1 1 103 103 PHE N N 100 120.200 120.200 123.532 -3.332 17768
7400 1 15 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.559 0.171 17768
7401 1 15 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.845 1.055 17768
7402 1 15 . 1 1 103 103 PHE CB C 100 43.000 43.000 39.657 3.343 17768
7403 1 15 . 1 1 103 103 PHE H H 100 8.310 8.310 7.803 0.507 17768
7404 1 15 . 1 1 104 104 THR N N 101 116.100 116.100 116.013 0.087 17768
7405 1 15 . 1 1 104 104 THR HA H 101 4.970 4.970 5.143 -0.173 17768
7406 1 15 . 1 1 104 104 THR CA C 101 61.900 61.900 60.923 0.977 17768
7407 1 15 . 1 1 104 104 THR CB C 101 71.400 71.400 70.438 0.962 17768
7408 1 15 . 1 1 104 104 THR H H 101 8.250 8.250 8.371 -0.121 17768
7409 1 15 . 1 1 105 105 PHE N N 102 123.200 123.200 120.442 2.758 17768
7410 1 15 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.858 0.752 17768
7411 1 15 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.067 -0.467 17768
7412 1 15 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.770 0.830 17768
7413 1 15 . 1 1 105 105 PHE H H 102 8.840 8.840 8.360 0.480 17768
7414 1 15 . 1 1 106 106 VAL N N 103 120.000 120.000 123.116 -3.116 17768
7415 1 15 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.446 0.054 17768
7416 1 15 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.290 -0.090 17768
7417 1 15 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.771 1.429 17768
7418 1 15 . 1 1 106 106 VAL H H 103 8.460 8.460 8.374 0.086 17768
7419 1 15 . 1 1 107 107 ALA N N 104 130.400 130.400 131.488 -1.088 17768
7420 1 15 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.671 -0.831 17768
7421 1 15 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.808 0.592 17768
7422 1 15 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.815 -2.015 17768
7423 1 15 . 1 1 107 107 ALA H H 104 9.210 9.210 8.851 0.359 17768
7424 1 15 . 1 1 108 108 LYS N N 105 127.100 127.100 126.380 0.720 17768
7425 1 15 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.455 -0.225 17768
7426 1 15 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.342 -0.142 17768
7427 1 15 . 1 1 108 108 LYS H H 105 8.670 8.670 8.708 -0.038 17768
7428 1 15 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.434 0.066 17768
7429 1 15 . 1 1 115 115 VAL CA C 112 62.200 62.200 60.973 1.227 17768
7430 1 15 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.622 -0.122 17768
7431 1 15 . 1 1 116 116 ILE N N 113 125.200 125.200 126.101 -0.901 17768
7432 1 15 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.302 0.218 17768
7433 1 15 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.467 -0.567 17768
7434 1 15 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.762 1.938 17768
7435 1 15 . 1 1 116 116 ILE H H 113 8.760 8.760 8.265 0.495 17768
7436 1 15 . 1 1 117 117 THR N N 114 119.000 119.000 121.972 -2.972 17768
7437 1 15 . 1 1 117 117 THR HA H 114 4.560 4.560 4.494 0.066 17768
7438 1 15 . 1 1 117 117 THR CA C 114 62.300 62.300 62.153 0.147 17768
7439 1 15 . 1 1 117 117 THR CB C 114 69.400 69.400 69.332 0.069 17768
7440 1 15 . 1 1 117 117 THR H H 114 8.380 8.380 8.396 -0.016 17768
7441 1 15 . 1 1 118 118 ASP N N 115 126.200 126.200 127.944 -1.744 17768
7442 1 15 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.935 -0.285 17768
7443 1 15 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.420 1.080 17768
7444 1 15 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.102 0.198 17768
7445 1 15 . 1 1 118 118 ASP H H 115 8.920 8.920 8.617 0.303 17768
7446 1 15 . 1 1 119 119 THR HA H 116 3.990 3.990 3.979 0.011 17768
7447 1 15 . 1 1 119 119 THR CA C 116 64.800 64.800 64.774 0.026 17768
7448 1 15 . 1 1 119 119 THR CB C 116 69.200 69.200 68.971 0.229 17768
7449 1 15 . 1 1 120 120 ASP N N 117 120.500 120.500 119.376 1.124 17768
7450 1 15 . 1 1 120 120 ASP CA C 117 54.800 54.800 53.861 0.939 17768
7451 1 15 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.663 -0.963 17768
7452 1 15 . 1 1 120 120 ASP H H 117 8.360 8.360 8.108 0.252 17768
7453 1 15 . 1 1 121 121 GLY N N 118 108.600 108.600 109.852 -1.252 17768
7454 1 15 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.063 0.737 17768
7455 1 15 . 1 1 121 121 GLY H H 118 8.310 8.310 8.259 0.051 17768
7456 1 15 . 1 1 122 122 VAL N N 119 118.600 118.600 120.492 -1.892 17768
7457 1 15 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.073 0.127 17768
7458 1 15 . 1 1 122 122 VAL CA C 119 63.200 63.200 62.182 1.018 17768
7459 1 15 . 1 1 122 122 VAL CB C 119 36.000 36.000 31.128 4.872 17768
7460 1 15 . 1 1 122 122 VAL H H 119 8.500 8.500 7.736 0.764 17768
7461 1 15 . 1 1 123 123 THR N N 120 123.300 123.300 124.797 -1.497 17768
7462 1 15 . 1 1 123 123 THR HA H 120 4.030 4.030 4.140 -0.110 17768
7463 1 15 . 1 1 123 123 THR CA C 120 64.800 64.800 63.448 1.352 17768
7464 1 15 . 1 1 123 123 THR CB C 120 68.400 68.400 69.053 -0.653 17768
7465 1 15 . 1 1 123 123 THR H H 120 9.700 9.700 8.545 1.155 17768
7466 1 15 . 1 1 124 124 LYS N N 121 125.500 125.500 128.774 -3.274 17768
7467 1 15 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.518 0.032 17768
7468 1 15 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.354 -1.054 17768
7469 1 15 . 1 1 124 124 LYS H H 121 8.650 8.650 8.679 -0.029 17768
7470 1 15 . 1 1 125 125 HIS N N 122 121.400 121.400 120.012 1.388 17768
7471 1 15 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.226 -0.146 17768
7472 1 15 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.877 -2.277 17768
7473 1 15 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.727 -1.127 17768
7474 1 15 . 1 1 125 125 HIS H H 122 8.580 8.580 8.104 0.476 17768
7475 1 15 . 1 1 126 126 GLY N N 123 114.000 114.000 108.689 5.311 17768
7476 1 15 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.334 -0.134 17768
7477 1 15 . 1 1 126 126 GLY H H 123 10.010 10.010 8.966 1.044 17768
7478 1 15 . 1 1 127 127 ILE N N 124 124.000 124.000 125.356 -1.356 17768
7479 1 15 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.414 0.066 17768
7480 1 15 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.599 1.101 17768
7481 1 15 . 1 1 127 127 ILE CB C 124 41.100 41.100 38.609 2.491 17768
7482 1 15 . 1 1 127 127 ILE H H 124 8.740 8.740 8.527 0.213 17768
7483 1 15 . 1 1 128 128 ILE N N 125 126.200 126.200 130.083 -3.883 17768
7484 1 15 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.444 0.336 17768
7485 1 15 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.263 -0.163 17768
7486 1 15 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.239 1.561 17768
7487 1 15 . 1 1 128 128 ILE H H 125 8.640 8.640 8.774 -0.134 17768
7488 1 15 . 1 1 129 129 LYS N N 126 126.300 126.300 128.094 -1.794 17768
7489 1 15 . 1 1 129 129 LYS HA H 126 5.410 5.410 5.014 0.396 17768
7490 1 15 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.802 0.798 17768
7491 1 15 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.928 1.172 17768
7492 1 15 . 1 1 129 129 LYS H H 126 8.990 8.990 8.508 0.482 17768
7493 1 15 . 1 1 130 130 VAL N N 127 126.300 126.300 124.072 2.228 17768
7494 1 15 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.679 -0.119 17768
7495 1 15 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.270 0.830 17768
7496 1 15 . 1 1 130 130 VAL CB C 127 36.000 36.000 36.914 -0.914 17768
7497 1 15 . 1 1 130 130 VAL H H 127 8.880 8.880 8.931 -0.051 17768
7498 1 15 . 1 1 131 131 ARG N N 128 126.600 126.600 119.771 6.829 17768
7499 1 15 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.348 0.612 17768
7500 1 15 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.886 1.714 17768
7501 1 15 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.120 -0.520 17768
7502 1 15 . 1 1 131 131 ARG H H 128 8.720 8.720 8.118 0.602 17768
7503 1 15 . 1 1 132 132 PHE N N 129 125.700 125.700 120.042 5.658 17768
7504 1 15 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.531 0.079 17768
7505 1 15 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.693 0.907 17768
7506 1 15 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.786 0.614 17768
7507 1 15 . 1 1 132 132 PHE H H 129 9.720 9.720 8.164 1.556 17768
7508 1 15 . 1 1 133 133 THR N N 130 114.700 114.700 118.806 -4.106 17768
7509 1 15 . 1 1 133 133 THR HA H 130 5.070 5.070 4.870 0.200 17768
7510 1 15 . 1 1 133 133 THR CA C 130 61.800 61.800 62.184 -0.384 17768
7511 1 15 . 1 1 133 133 THR CB C 130 71.100 71.100 70.246 0.855 17768
7512 1 15 . 1 1 133 133 THR H H 130 9.100 9.100 9.126 -0.026 17768
7513 1 15 . 1 1 134 134 ILE N N 131 123.000 123.000 122.389 0.611 17768
7514 1 15 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.865 1.535 17768
7515 1 15 . 1 1 134 134 ILE H H 131 8.400 8.400 8.120 0.280 17768
7516 1 16 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.751 -0.511 17768
7517 1 16 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.107 -0.207 17768
7518 1 16 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.077 0.723 17768
7519 1 16 . 1 1 8 8 LEU CB C 5 39.700 39.700 40.453 -0.753 17768
7520 1 16 . 1 1 9 9 ALA N N 6 122.500 122.500 121.672 0.828 17768
7521 1 16 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.309 -1.329 17768
7522 1 16 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.203 -0.503 17768
7523 1 16 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.287 1.513 17768
7524 1 16 . 1 1 9 9 ALA H H 6 8.150 8.150 8.152 -0.002 17768
7525 1 16 . 1 1 10 10 SER N N 7 112.300 112.300 114.974 -2.674 17768
7526 1 16 . 1 1 10 10 SER HA H 7 3.660 3.660 4.033 -0.373 17768
7527 1 16 . 1 1 10 10 SER CA C 7 62.300 62.300 61.018 1.282 17768
7528 1 16 . 1 1 10 10 SER H H 7 7.910 7.910 8.024 -0.114 17768
7529 1 16 . 1 1 11 11 ARG N N 8 122.300 122.300 119.530 2.770 17768
7530 1 16 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.043 -0.093 17768
7531 1 16 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.031 0.569 17768
7532 1 16 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.026 -0.226 17768
7533 1 16 . 1 1 11 11 ARG H H 8 7.390 7.390 8.264 -0.874 17768
7534 1 16 . 1 1 12 12 ALA N N 9 121.500 121.500 123.381 -1.881 17768
7535 1 16 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.803 0.067 17768
7536 1 16 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.313 0.687 17768
7537 1 16 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.364 1.836 17768
7538 1 16 . 1 1 12 12 ALA H H 9 7.720 7.720 7.445 0.275 17768
7539 1 16 . 1 1 13 13 LEU N N 10 119.000 119.000 119.648 -0.648 17768
7540 1 16 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.909 -0.999 17768
7541 1 16 . 1 1 13 13 LEU CA C 10 57.600 57.600 58.056 -0.456 17768
7542 1 16 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.490 -0.490 17768
7543 1 16 . 1 1 13 13 LEU H H 10 7.940 7.940 7.568 0.372 17768
7544 1 16 . 1 1 14 14 GLN N N 11 119.300 119.300 118.050 1.250 17768
7545 1 16 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.928 -0.578 17768
7546 1 16 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.896 1.804 17768
7547 1 16 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.137 -0.136 17768
7548 1 16 . 1 1 14 14 GLN H H 11 7.390 7.390 8.004 -0.614 17768
7549 1 16 . 1 1 15 15 LYS N N 12 116.200 116.200 120.490 -4.290 17768
7550 1 16 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.316 -0.696 17768
7551 1 16 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.644 -0.344 17768
7552 1 16 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.341 0.459 17768
7553 1 16 . 1 1 15 15 LYS H H 12 7.470 7.470 7.458 0.012 17768
7554 1 16 . 1 1 16 16 ALA N N 13 121.700 121.700 122.234 -0.534 17768
7555 1 16 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.187 -0.017 17768
7556 1 16 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.084 0.317 17768
7557 1 16 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.620 0.980 17768
7558 1 16 . 1 1 16 16 ALA H H 13 8.560 8.560 8.248 0.312 17768
7559 1 16 . 1 1 17 17 THR N N 14 108.700 108.700 117.110 -8.410 17768
7560 1 16 . 1 1 17 17 THR HA H 14 3.650 3.650 4.081 -0.431 17768
7561 1 16 . 1 1 17 17 THR CA C 14 66.500 66.500 67.181 -0.681 17768
7562 1 16 . 1 1 17 17 THR CB C 14 69.300 69.300 68.982 0.318 17768
7563 1 16 . 1 1 17 17 THR H H 14 8.210 8.210 8.129 0.081 17768
7564 1 16 . 1 1 18 18 VAL N N 15 122.600 122.600 121.511 1.089 17768
7565 1 16 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.793 -0.393 17768
7566 1 16 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.439 1.961 17768
7567 1 16 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.884 -0.383 17768
7568 1 16 . 1 1 18 18 VAL H H 15 7.570 7.570 8.689 -1.119 17768
7569 1 16 . 1 1 19 19 GLU N N 16 117.400 117.400 120.070 -2.670 17768
7570 1 16 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.146 0.024 17768
7571 1 16 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.394 0.306 17768
7572 1 16 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.142 0.058 17768
7573 1 16 . 1 1 19 19 GLU H H 16 7.560 7.560 8.183 -0.623 17768
7574 1 16 . 1 1 20 20 ASN N N 17 120.900 120.900 119.495 1.405 17768
7575 1 16 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.638 -0.408 17768
7576 1 16 . 1 1 20 20 ASN CA C 17 57.200 57.200 55.961 1.239 17768
7577 1 16 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.781 0.119 17768
7578 1 16 . 1 1 20 20 ASN H H 17 8.150 8.150 8.100 0.050 17768
7579 1 16 . 1 1 21 21 LEU N N 18 119.500 119.500 121.309 -1.809 17768
7580 1 16 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.163 -0.243 17768
7581 1 16 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.542 1.558 17768
7582 1 16 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.768 0.832 17768
7583 1 16 . 1 1 21 21 LEU H H 18 8.500 8.500 8.323 0.177 17768
7584 1 16 . 1 1 22 22 GLU N N 19 112.100 112.100 115.570 -3.470 17768
7585 1 16 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.204 0.396 17768
7586 1 16 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.285 0.415 17768
7587 1 16 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.529 0.671 17768
7588 1 16 . 1 1 22 22 GLU H H 19 8.450 8.450 8.117 0.333 17768
7589 1 16 . 1 1 23 23 SER N N 20 110.300 110.300 115.104 -4.804 17768
7590 1 16 . 1 1 23 23 SER HA H 20 4.490 4.490 4.488 0.002 17768
7591 1 16 . 1 1 23 23 SER CA C 20 58.600 58.600 60.497 -1.897 17768
7592 1 16 . 1 1 23 23 SER H H 20 7.570 7.570 7.684 -0.114 17768
7593 1 16 . 1 1 24 24 TYR N N 21 125.300 125.300 124.902 0.398 17768
7594 1 16 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.099 0.481 17768
7595 1 16 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.048 1.652 17768
7596 1 16 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.504 -0.103 17768
7597 1 16 . 1 1 24 24 TYR H H 21 7.560 7.560 7.997 -0.437 17768
7598 1 16 . 1 1 25 25 GLN N N 22 130.000 130.000 127.520 2.480 17768
7599 1 16 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.877 -0.027 17768
7600 1 16 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.824 0.976 17768
7601 1 16 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.079 0.221 17768
7602 1 16 . 1 1 25 25 GLN H H 22 8.710 8.710 8.025 0.685 17768
7603 1 16 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.172 -0.162 17768
7604 1 16 . 1 1 27 27 LEU N N 24 112.400 112.400 112.985 -0.585 17768
7605 1 16 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.521 -0.311 17768
7606 1 16 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.142 1.158 17768
7607 1 16 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.211 1.889 17768
7608 1 16 . 1 1 27 27 LEU H H 24 6.720 6.720 7.754 -1.034 17768
7609 1 16 . 1 1 28 28 MET N N 25 116.900 116.900 116.876 0.024 17768
7610 1 16 . 1 1 28 28 MET HA H 25 4.510 4.510 4.192 0.318 17768
7611 1 16 . 1 1 28 28 MET CA C 25 55.900 55.900 56.938 -1.038 17768
7612 1 16 . 1 1 28 28 MET CB C 25 29.100 29.100 31.817 -2.717 17768
7613 1 16 . 1 1 28 28 MET H H 25 7.620 7.620 7.428 0.193 17768
7614 1 16 . 1 1 29 29 GLU N N 26 116.100 116.100 115.065 1.035 17768
7615 1 16 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.290 -0.150 17768
7616 1 16 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.475 0.925 17768
7617 1 16 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.213 1.087 17768
7618 1 16 . 1 1 29 29 GLU H H 26 8.060 8.060 8.268 -0.208 17768
7619 1 16 . 1 1 30 30 MET N N 27 115.100 115.100 118.058 -2.958 17768
7620 1 16 . 1 1 30 30 MET HA H 27 4.450 4.450 4.512 -0.062 17768
7621 1 16 . 1 1 30 30 MET CA C 27 57.000 57.000 55.633 1.367 17768
7622 1 16 . 1 1 30 30 MET CB C 27 36.500 36.500 34.812 1.688 17768
7623 1 16 . 1 1 30 30 MET H H 27 7.920 7.920 7.458 0.462 17768
7624 1 16 . 1 1 31 31 VAL N N 28 107.100 107.100 112.846 -5.746 17768
7625 1 16 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.680 0.030 17768
7626 1 16 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.074 -1.474 17768
7627 1 16 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.622 1.878 17768
7628 1 16 . 1 1 31 31 VAL H H 28 7.180 7.180 7.676 -0.496 17768
7629 1 16 . 1 1 32 32 ASN N N 29 115.300 115.300 120.633 -5.333 17768
7630 1 16 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.929 -0.229 17768
7631 1 16 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.170 1.630 17768
7632 1 16 . 1 1 32 32 ASN CB C 29 40.400 40.400 40.037 0.363 17768
7633 1 16 . 1 1 32 32 ASN H H 29 8.670 8.670 8.375 0.295 17768
7634 1 16 . 1 1 33 33 GLN N N 30 108.900 108.900 119.207 -10.307 17768
7635 1 16 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.654 -0.034 17768
7636 1 16 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.708 0.892 17768
7637 1 16 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.185 2.215 17768
7638 1 16 . 1 1 33 33 GLN H H 30 7.190 7.190 8.518 -1.328 17768
7639 1 16 . 1 1 34 34 VAL N N 31 122.000 122.000 121.786 0.214 17768
7640 1 16 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.926 -0.016 17768
7641 1 16 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.123 0.477 17768
7642 1 16 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.842 0.959 17768
7643 1 16 . 1 1 34 34 VAL H H 31 8.860 8.860 7.747 1.113 17768
7644 1 16 . 1 1 35 35 THR N N 32 119.200 119.200 122.823 -3.623 17768
7645 1 16 . 1 1 35 35 THR HA H 32 4.900 4.900 4.712 0.188 17768
7646 1 16 . 1 1 35 35 THR CA C 32 59.100 59.100 59.548 -0.448 17768
7647 1 16 . 1 1 35 35 THR CB C 32 70.100 70.100 70.936 -0.836 17768
7648 1 16 . 1 1 35 35 THR H H 32 8.910 8.910 8.943 -0.033 17768
7649 1 16 . 1 1 36 36 GLU H H 33 8.200 8.200 8.842 -0.642 17768
7650 1 16 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.508 -0.388 17768
7651 1 16 . 1 1 39 39 GLY N N 36 111.100 111.100 112.162 -1.062 17768
7652 1 16 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.465 -0.765 17768
7653 1 16 . 1 1 39 39 GLY H H 36 8.570 8.570 8.885 -0.315 17768
7654 1 16 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.394 -0.574 17768
7655 1 16 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.255 0.544 17768
7656 1 16 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.236 0.364 17768
7657 1 16 . 1 1 40 40 LYS H H 37 7.070 7.070 8.644 -1.574 17768
7658 1 16 . 1 1 41 41 ASP N N 38 116.100 116.100 115.669 0.431 17768
7659 1 16 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.705 -0.135 17768
7660 1 16 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.645 0.855 17768
7661 1 16 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.794 1.006 17768
7662 1 16 . 1 1 41 41 ASP H H 38 8.250 8.250 8.197 0.053 17768
7663 1 16 . 1 1 42 42 ASP N N 39 123.300 123.300 122.397 0.903 17768
7664 1 16 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.776 -0.326 17768
7665 1 16 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.117 1.383 17768
7666 1 16 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.854 -1.554 17768
7667 1 16 . 1 1 42 42 ASP H H 39 7.070 7.070 7.397 -0.327 17768
7668 1 16 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.246 0.054 17768
7669 1 16 . 1 1 43 43 PRO CA C 40 62.500 62.500 63.565 -1.065 17768
7670 1 16 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.141 -0.041 17768
7671 1 16 . 1 1 44 44 TYR N N 41 122.700 122.700 121.532 1.168 17768
7672 1 16 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.839 -0.239 17768
7673 1 16 . 1 1 44 44 TYR CA C 41 55.100 55.100 55.999 -0.899 17768
7674 1 16 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.511 -1.011 17768
7675 1 16 . 1 1 44 44 TYR H H 41 8.200 8.200 8.584 -0.384 17768
7676 1 16 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.007 0.593 17768
7677 1 16 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.653 -0.153 17768
7678 1 16 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.205 2.895 17768
7679 1 16 . 1 1 46 46 TYR N N 43 113.000 113.000 115.737 -2.737 17768
7680 1 16 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.741 0.419 17768
7681 1 16 . 1 1 46 46 TYR CA C 43 57.700 57.700 56.815 0.885 17768
7682 1 16 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.532 1.368 17768
7683 1 16 . 1 1 46 46 TYR H H 43 8.640 8.640 9.070 -0.430 17768
7684 1 16 . 1 1 47 47 VAL N N 44 118.300 118.300 119.765 -1.465 17768
7685 1 16 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.751 0.749 17768
7686 1 16 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.793 0.007 17768
7687 1 16 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.914 -0.614 17768
7688 1 16 . 1 1 47 47 VAL H H 44 8.210 8.210 8.078 0.132 17768
7689 1 16 . 1 1 48 48 VAL N N 45 127.100 127.100 121.007 6.093 17768
7690 1 16 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.312 0.198 17768
7691 1 16 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.667 1.033 17768
7692 1 16 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.283 0.017 17768
7693 1 16 . 1 1 48 48 VAL H H 45 9.960 9.960 8.722 1.238 17768
7694 1 16 . 1 1 49 49 ILE N N 46 126.500 126.500 122.640 3.860 17768
7695 1 16 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.666 -0.676 17768
7696 1 16 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.226 0.674 17768
7697 1 16 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.345 0.855 17768
7698 1 16 . 1 1 49 49 ILE H H 46 8.160 8.160 8.201 -0.041 17768
7699 1 16 . 1 1 50 50 GLY N N 47 116.200 116.200 113.365 2.835 17768
7700 1 16 . 1 1 50 50 GLY CA C 47 44.900 44.900 44.752 0.148 17768
7701 1 16 . 1 1 50 50 GLY H H 47 8.100 8.100 8.698 -0.598 17768
7702 1 16 . 1 1 51 51 ASP N N 48 118.000 118.000 119.601 -1.601 17768
7703 1 16 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.832 -0.342 17768
7704 1 16 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.666 1.234 17768
7705 1 16 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.492 -0.992 17768
7706 1 16 . 1 1 51 51 ASP H H 48 8.150 8.150 8.293 -0.143 17768
7707 1 16 . 1 1 52 52 GLN N N 49 118.000 118.000 124.613 -6.613 17768
7708 1 16 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.531 0.379 17768
7709 1 16 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.009 -0.009 17768
7710 1 16 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.926 0.174 17768
7711 1 16 . 1 1 52 52 GLN H H 49 8.400 8.400 8.192 0.208 17768
7712 1 16 . 1 1 53 53 SER N N 50 115.900 115.900 120.340 -4.440 17768
7713 1 16 . 1 1 53 53 SER CA C 50 58.200 58.200 57.203 0.997 17768
7714 1 16 . 1 1 53 53 SER CB C 50 64.700 64.700 63.400 1.300 17768
7715 1 16 . 1 1 53 53 SER H H 50 8.770 8.770 8.600 0.170 17768
7716 1 16 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.452 -0.152 17768
7717 1 16 . 1 1 57 57 PHE N N 54 126.200 126.200 121.743 4.457 17768
7718 1 16 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.898 -0.038 17768
7719 1 16 . 1 1 57 57 PHE CA C 54 53.100 53.100 55.725 -2.625 17768
7720 1 16 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.340 0.060 17768
7721 1 16 . 1 1 57 57 PHE H H 54 8.620 8.620 7.703 0.917 17768
7722 1 16 . 1 1 59 59 THR HA H 56 4.910 4.910 4.504 0.406 17768
7723 1 16 . 1 1 60 60 LYS N N 57 123.900 123.900 128.071 -4.171 17768
7724 1 16 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.427 0.243 17768
7725 1 16 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.216 0.684 17768
7726 1 16 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.577 -1.177 17768
7727 1 16 . 1 1 60 60 LYS H H 57 8.760 8.760 8.495 0.265 17768
7728 1 16 . 1 1 61 61 SER N N 58 113.900 113.900 117.657 -3.757 17768
7729 1 16 . 1 1 61 61 SER HA H 58 4.690 4.690 4.389 0.301 17768
7730 1 16 . 1 1 61 61 SER CA C 58 55.000 55.000 58.238 -3.238 17768
7731 1 16 . 1 1 61 61 SER CB C 58 63.000 63.000 63.798 -0.798 17768
7732 1 16 . 1 1 61 61 SER H H 58 8.400 8.400 8.743 -0.343 17768
7733 1 16 . 1 1 66 66 ASN N N 63 117.100 117.100 120.826 -3.726 17768
7734 1 16 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.358 0.302 17768
7735 1 16 . 1 1 66 66 ASN CA C 63 53.100 53.100 51.813 1.287 17768
7736 1 16 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.257 0.143 17768
7737 1 16 . 1 1 66 66 ASN H H 63 8.260 8.260 8.360 -0.100 17768
7738 1 16 . 1 1 67 67 ILE N N 64 120.300 120.300 120.743 -0.443 17768
7739 1 16 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.427 0.193 17768
7740 1 16 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.688 1.612 17768
7741 1 16 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.536 4.664 17768
7742 1 16 . 1 1 67 67 ILE H H 64 8.910 8.910 8.886 0.024 17768
7743 1 16 . 1 1 68 68 THR N N 65 124.100 124.100 120.737 3.363 17768
7744 1 16 . 1 1 68 68 THR HA H 65 5.490 5.490 4.629 0.861 17768
7745 1 16 . 1 1 68 68 THR CA C 65 61.900 61.900 61.181 0.719 17768
7746 1 16 . 1 1 68 68 THR CB C 65 70.200 70.200 69.845 0.355 17768
7747 1 16 . 1 1 68 68 THR H H 65 8.940 8.940 8.507 0.433 17768
7748 1 16 . 1 1 69 69 MET N N 66 126.700 126.700 124.255 2.445 17768
7749 1 16 . 1 1 69 69 MET HA H 66 5.050 5.050 4.654 0.396 17768
7750 1 16 . 1 1 69 69 MET CA C 66 55.100 55.100 55.475 -0.375 17768
7751 1 16 . 1 1 69 69 MET CB C 66 38.100 38.100 37.395 0.705 17768
7752 1 16 . 1 1 69 69 MET H H 66 9.200 9.200 8.813 0.387 17768
7753 1 16 . 1 1 70 70 ASP N N 67 123.500 123.500 119.210 4.290 17768
7754 1 16 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.167 0.243 17768
7755 1 16 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.108 0.892 17768
7756 1 16 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.585 -1.085 17768
7757 1 16 . 1 1 70 70 ASP H H 67 7.720 7.720 8.381 -0.661 17768
7758 1 16 . 1 1 71 71 PHE N N 68 116.900 116.900 115.248 1.652 17768
7759 1 16 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.425 -0.595 17768
7760 1 16 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.072 1.928 17768
7761 1 16 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.503 1.497 17768
7762 1 16 . 1 1 71 71 PHE H H 68 9.130 9.130 8.709 0.421 17768
7763 1 16 . 1 1 72 72 HIS N N 69 120.400 120.400 121.132 -0.732 17768
7764 1 16 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.717 0.713 17768
7765 1 16 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.876 0.324 17768
7766 1 16 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.737 3.363 17768
7767 1 16 . 1 1 72 72 HIS H H 69 9.350 9.350 9.283 0.067 17768
7768 1 16 . 1 1 73 73 VAL N N 70 124.900 124.900 123.567 1.333 17768
7769 1 16 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.394 0.046 17768
7770 1 16 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.712 2.288 17768
7771 1 16 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.423 -0.123 17768
7772 1 16 . 1 1 73 73 VAL H H 70 9.610 9.610 8.370 1.240 17768
7773 1 16 . 1 1 74 74 TRP N N 71 129.500 129.500 127.192 2.308 17768
7774 1 16 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.599 -0.659 17768
7775 1 16 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.194 0.606 17768
7776 1 16 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.576 -2.576 17768
7777 1 16 . 1 1 74 74 TRP H H 71 8.790 8.790 8.955 -0.165 17768
7778 1 16 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.388 0.012 17768
7779 1 16 . 1 1 76 76 GLY N N 73 105.500 105.500 109.504 -4.004 17768
7780 1 16 . 1 1 76 76 GLY CA C 73 44.800 44.800 46.196 -1.395 17768
7781 1 16 . 1 1 76 76 GLY H H 73 8.710 8.710 9.067 -0.357 17768
7782 1 16 . 1 1 77 77 THR N N 74 114.200 114.200 115.916 -1.716 17768
7783 1 16 . 1 1 77 77 THR HA H 74 4.460 4.460 4.514 -0.054 17768
7784 1 16 . 1 1 77 77 THR CA C 74 62.700 62.700 61.984 0.716 17768
7785 1 16 . 1 1 77 77 THR CB C 74 70.000 70.000 70.603 -0.603 17768
7786 1 16 . 1 1 77 77 THR H H 74 9.010 9.010 7.941 1.069 17768
7787 1 16 . 1 1 78 78 THR N N 75 110.800 110.800 114.473 -3.673 17768
7788 1 16 . 1 1 78 78 THR CA C 75 59.100 59.100 59.788 -0.688 17768
7789 1 16 . 1 1 78 78 THR H H 75 7.960 7.960 7.936 0.024 17768
7790 1 16 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.582 0.718 17768
7791 1 16 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.439 0.161 17768
7792 1 16 . 1 1 80 80 ALA N N 77 120.500 120.500 120.356 0.144 17768
7793 1 16 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.184 -0.164 17768
7794 1 16 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.753 0.647 17768
7795 1 16 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.157 0.543 17768
7796 1 16 . 1 1 80 80 ALA H H 77 8.290 8.290 8.190 0.100 17768
7797 1 16 . 1 1 81 81 GLU N N 78 118.800 118.800 119.248 -0.448 17768
7798 1 16 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.063 -0.023 17768
7799 1 16 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.090 0.610 17768
7800 1 16 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.178 1.322 17768
7801 1 16 . 1 1 81 81 GLU H H 78 7.930 7.930 7.989 -0.059 17768
7802 1 16 . 1 1 82 82 ALA N N 79 119.700 119.700 121.588 -1.888 17768
7803 1 16 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.046 -0.166 17768
7804 1 16 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.531 -0.030 17768
7805 1 16 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.540 -0.140 17768
7806 1 16 . 1 1 82 82 ALA H H 79 7.470 7.470 7.693 -0.223 17768
7807 1 16 . 1 1 83 83 GLN N N 80 120.700 120.700 117.589 3.111 17768
7808 1 16 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.039 -0.209 17768
7809 1 16 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.595 0.605 17768
7810 1 16 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.351 0.349 17768
7811 1 16 . 1 1 83 83 GLN H H 80 8.690 8.690 8.128 0.562 17768
7812 1 16 . 1 1 84 84 ASP N N 81 123.100 123.100 123.037 0.063 17768
7813 1 16 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.498 -0.128 17768
7814 1 16 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.142 1.358 17768
7815 1 16 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.849 -0.549 17768
7816 1 16 . 1 1 84 84 ASP H H 81 8.480 8.480 8.387 0.093 17768
7817 1 16 . 1 1 85 85 ILE N N 82 119.300 119.300 117.577 1.723 17768
7818 1 16 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.689 -0.149 17768
7819 1 16 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.277 1.423 17768
7820 1 16 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.581 0.919 17768
7821 1 16 . 1 1 85 85 ILE H H 82 8.340 8.340 8.398 -0.058 17768
7822 1 16 . 1 1 86 86 SER N N 83 114.800 114.800 116.698 -1.898 17768
7823 1 16 . 1 1 86 86 SER HA H 83 4.560 4.560 4.084 0.476 17768
7824 1 16 . 1 1 86 86 SER CA C 83 63.500 63.500 62.621 0.879 17768
7825 1 16 . 1 1 86 86 SER H H 83 7.880 7.880 8.508 -0.628 17768
7826 1 16 . 1 1 87 87 SER N N 84 117.400 117.400 117.509 -0.109 17768
7827 1 16 . 1 1 87 87 SER HA H 84 4.400 4.400 4.193 0.207 17768
7828 1 16 . 1 1 87 87 SER CA C 84 58.100 58.100 61.749 -3.649 17768
7829 1 16 . 1 1 87 87 SER H H 84 8.320 8.320 7.993 0.327 17768
7830 1 16 . 1 1 88 88 ARG N N 85 121.100 121.100 121.401 -0.301 17768
7831 1 16 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.296 -0.206 17768
7832 1 16 . 1 1 88 88 ARG CA C 85 58.700 58.700 57.923 0.777 17768
7833 1 16 . 1 1 88 88 ARG H H 85 7.780 7.780 8.050 -0.270 17768
7834 1 16 . 1 1 89 89 VAL N N 86 121.200 121.200 121.370 -0.170 17768
7835 1 16 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.628 -0.268 17768
7836 1 16 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.368 1.131 17768
7837 1 16 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.743 -0.743 17768
7838 1 16 . 1 1 89 89 VAL H H 86 8.190 8.190 8.020 0.170 17768
7839 1 16 . 1 1 90 90 LEU N N 87 117.500 117.500 119.544 -2.044 17768
7840 1 16 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.927 -0.237 17768
7841 1 16 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.025 0.275 17768
7842 1 16 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.946 0.354 17768
7843 1 16 . 1 1 90 90 LEU H H 87 7.330 7.330 7.880 -0.550 17768
7844 1 16 . 1 1 91 91 GLU N N 88 118.500 118.500 119.952 -1.452 17768
7845 1 16 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.922 -0.302 17768
7846 1 16 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.973 0.127 17768
7847 1 16 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.113 1.487 17768
7848 1 16 . 1 1 91 91 GLU H H 88 7.810 7.810 7.828 -0.018 17768
7849 1 16 . 1 1 92 92 ALA N N 89 121.800 121.800 120.778 1.022 17768
7850 1 16 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.792 -0.732 17768
7851 1 16 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.812 -0.412 17768
7852 1 16 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.866 1.334 17768
7853 1 16 . 1 1 92 92 ALA H H 89 7.820 7.820 7.642 0.178 17768
7854 1 16 . 1 1 93 93 LEU N N 90 113.600 113.600 118.303 -4.703 17768
7855 1 16 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.286 -0.266 17768
7856 1 16 . 1 1 93 93 LEU CA C 90 57.200 57.200 58.102 -0.902 17768
7857 1 16 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.214 1.486 17768
7858 1 16 . 1 1 93 93 LEU H H 90 7.570 7.570 8.045 -0.475 17768
7859 1 16 . 1 1 94 94 THR N N 91 102.400 102.400 110.458 -8.058 17768
7860 1 16 . 1 1 94 94 THR HA H 91 4.510 4.510 4.412 0.098 17768
7861 1 16 . 1 1 94 94 THR CA C 91 61.500 61.500 62.529 -1.030 17768
7862 1 16 . 1 1 94 94 THR CB C 91 71.300 71.300 68.948 2.352 17768
7863 1 16 . 1 1 94 94 THR H H 91 7.280 7.280 7.564 -0.284 17768
7864 1 16 . 1 1 95 95 TYR N N 92 123.600 123.600 123.346 0.254 17768
7865 1 16 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.322 0.008 17768
7866 1 16 . 1 1 95 95 TYR CA C 92 59.700 59.700 60.162 -0.462 17768
7867 1 16 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.348 -1.748 17768
7868 1 16 . 1 1 95 95 TYR H H 92 7.900 7.900 7.651 0.249 17768
7869 1 16 . 1 1 96 96 LYS N N 93 117.500 117.500 120.925 -3.425 17768
7870 1 16 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.432 0.118 17768
7871 1 16 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.220 1.480 17768
7872 1 16 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.646 0.854 17768
7873 1 16 . 1 1 96 96 LYS H H 93 7.000 7.000 7.466 -0.466 17768
7874 1 16 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.342 0.028 17768
7875 1 16 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.795 0.805 17768
7876 1 16 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.509 0.191 17768
7877 1 16 . 1 1 98 98 LEU N N 95 125.400 125.400 121.723 3.677 17768
7878 1 16 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.555 0.065 17768
7879 1 16 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.679 -0.879 17768
7880 1 16 . 1 1 98 98 LEU CB C 95 43.600 43.600 41.271 2.329 17768
7881 1 16 . 1 1 98 98 LEU H H 95 8.380 8.380 8.662 -0.282 17768
7882 1 16 . 1 1 99 99 MET N N 96 123.100 123.100 123.696 -0.596 17768
7883 1 16 . 1 1 99 99 MET HA H 96 5.480 5.480 5.350 0.130 17768
7884 1 16 . 1 1 99 99 MET CA C 96 55.200 55.200 54.829 0.371 17768
7885 1 16 . 1 1 99 99 MET CB C 96 37.200 37.200 37.083 0.117 17768
7886 1 16 . 1 1 99 99 MET H H 96 8.480 8.480 8.397 0.083 17768
7887 1 16 . 1 1 100 100 PHE N N 97 122.900 122.900 126.604 -3.704 17768
7888 1 16 . 1 1 100 100 PHE HA H 97 4.390 4.390 5.017 -0.627 17768
7889 1 16 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.379 2.921 17768
7890 1 16 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.356 1.744 17768
7891 1 16 . 1 1 100 100 PHE H H 97 8.640 8.640 9.443 -0.803 17768
7892 1 16 . 1 1 101 101 GLU N N 98 125.300 125.300 124.981 0.319 17768
7893 1 16 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.664 -0.234 17768
7894 1 16 . 1 1 101 101 GLU CA C 98 58.200 58.200 58.567 -0.367 17768
7895 1 16 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.240 0.160 17768
7896 1 16 . 1 1 101 101 GLU H H 98 8.640 8.640 8.760 -0.120 17768
7897 1 16 . 1 1 102 102 GLY N N 99 107.100 107.100 106.404 0.696 17768
7898 1 16 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.678 1.022 17768
7899 1 16 . 1 1 102 102 GLY H H 99 8.250 8.250 7.624 0.626 17768
7900 1 16 . 1 1 103 103 PHE N N 100 120.200 120.200 120.993 -0.793 17768
7901 1 16 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.571 0.159 17768
7902 1 16 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.989 1.911 17768
7903 1 16 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.084 1.916 17768
7904 1 16 . 1 1 103 103 PHE H H 100 8.310 8.310 7.953 0.357 17768
7905 1 16 . 1 1 104 104 THR N N 101 116.100 116.100 119.339 -3.239 17768
7906 1 16 . 1 1 104 104 THR HA H 101 4.970 4.970 5.114 -0.144 17768
7907 1 16 . 1 1 104 104 THR CA C 101 61.900 61.900 61.212 0.688 17768
7908 1 16 . 1 1 104 104 THR CB C 101 71.400 71.400 70.757 0.643 17768
7909 1 16 . 1 1 104 104 THR H H 101 8.250 8.250 8.299 -0.049 17768
7910 1 16 . 1 1 105 105 PHE N N 102 123.200 123.200 125.939 -2.739 17768
7911 1 16 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.830 0.780 17768
7912 1 16 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.282 -0.682 17768
7913 1 16 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.353 1.247 17768
7914 1 16 . 1 1 105 105 PHE H H 102 8.840 8.840 8.719 0.121 17768
7915 1 16 . 1 1 106 106 VAL N N 103 120.000 120.000 122.765 -2.765 17768
7916 1 16 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.415 0.085 17768
7917 1 16 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.696 0.505 17768
7918 1 16 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.343 0.857 17768
7919 1 16 . 1 1 106 106 VAL H H 103 8.460 8.460 8.471 -0.011 17768
7920 1 16 . 1 1 107 107 ALA N N 104 130.400 130.400 131.219 -0.819 17768
7921 1 16 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.578 -0.738 17768
7922 1 16 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.779 0.621 17768
7923 1 16 . 1 1 107 107 ALA CB C 104 17.800 17.800 18.788 -0.988 17768
7924 1 16 . 1 1 107 107 ALA H H 104 9.210 9.210 8.679 0.531 17768
7925 1 16 . 1 1 108 108 LYS N N 105 127.100 127.100 126.608 0.492 17768
7926 1 16 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.389 -0.159 17768
7927 1 16 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.215 -0.014 17768
7928 1 16 . 1 1 108 108 LYS H H 105 8.670 8.670 8.213 0.457 17768
7929 1 16 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.394 0.106 17768
7930 1 16 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.520 0.680 17768
7931 1 16 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.390 0.110 17768
7932 1 16 . 1 1 116 116 ILE N N 113 125.200 125.200 126.384 -1.184 17768
7933 1 16 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.411 0.109 17768
7934 1 16 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.858 0.043 17768
7935 1 16 . 1 1 116 116 ILE CB C 113 41.700 41.700 38.909 2.791 17768
7936 1 16 . 1 1 116 116 ILE H H 113 8.760 8.760 8.329 0.431 17768
7937 1 16 . 1 1 117 117 THR N N 114 119.000 119.000 120.471 -1.471 17768
7938 1 16 . 1 1 117 117 THR HA H 114 4.560 4.560 4.362 0.198 17768
7939 1 16 . 1 1 117 117 THR CA C 114 62.300 62.300 63.114 -0.814 17768
7940 1 16 . 1 1 117 117 THR CB C 114 69.400 69.400 69.670 -0.270 17768
7941 1 16 . 1 1 117 117 THR H H 114 8.380 8.380 8.366 0.014 17768
7942 1 16 . 1 1 118 118 ASP N N 115 126.200 126.200 124.136 2.064 17768
7943 1 16 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.708 -0.058 17768
7944 1 16 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.141 1.359 17768
7945 1 16 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.886 0.414 17768
7946 1 16 . 1 1 118 118 ASP H H 115 8.920 8.920 8.347 0.573 17768
7947 1 16 . 1 1 119 119 THR HA H 116 3.990 3.990 4.275 -0.285 17768
7948 1 16 . 1 1 119 119 THR CA C 116 64.800 64.800 64.000 0.800 17768
7949 1 16 . 1 1 119 119 THR CB C 116 69.200 69.200 68.691 0.509 17768
7950 1 16 . 1 1 120 120 ASP N N 117 120.500 120.500 121.206 -0.706 17768
7951 1 16 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.605 0.195 17768
7952 1 16 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.866 -1.166 17768
7953 1 16 . 1 1 120 120 ASP H H 117 8.360 8.360 8.046 0.314 17768
7954 1 16 . 1 1 121 121 GLY N N 118 108.600 108.600 108.295 0.305 17768
7955 1 16 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.230 0.570 17768
7956 1 16 . 1 1 121 121 GLY H H 118 8.310 8.310 8.326 -0.016 17768
7957 1 16 . 1 1 122 122 VAL N N 119 118.600 118.600 119.057 -0.457 17768
7958 1 16 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.143 0.057 17768
7959 1 16 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.584 1.616 17768
7960 1 16 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.425 2.575 17768
7961 1 16 . 1 1 122 122 VAL H H 119 8.500 8.500 7.640 0.860 17768
7962 1 16 . 1 1 123 123 THR N N 120 123.300 123.300 120.272 3.028 17768
7963 1 16 . 1 1 123 123 THR HA H 120 4.030 4.030 4.252 -0.222 17768
7964 1 16 . 1 1 123 123 THR CA C 120 64.800 64.800 62.800 2.000 17768
7965 1 16 . 1 1 123 123 THR CB C 120 68.400 68.400 68.941 -0.541 17768
7966 1 16 . 1 1 123 123 THR H H 120 9.700 9.700 8.212 1.488 17768
7967 1 16 . 1 1 124 124 LYS N N 121 125.500 125.500 127.945 -2.445 17768
7968 1 16 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.405 0.145 17768
7969 1 16 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.031 -0.731 17768
7970 1 16 . 1 1 124 124 LYS H H 121 8.650 8.650 8.559 0.091 17768
7971 1 16 . 1 1 125 125 HIS N N 122 121.400 121.400 120.343 1.057 17768
7972 1 16 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.615 -0.535 17768
7973 1 16 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.381 -1.781 17768
7974 1 16 . 1 1 125 125 HIS CB C 122 31.600 31.600 31.346 0.254 17768
7975 1 16 . 1 1 125 125 HIS H H 122 8.580 8.580 8.199 0.381 17768
7976 1 16 . 1 1 126 126 GLY N N 123 114.000 114.000 110.461 3.539 17768
7977 1 16 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.502 -0.302 17768
7978 1 16 . 1 1 126 126 GLY H H 123 10.010 10.010 8.840 1.170 17768
7979 1 16 . 1 1 127 127 ILE N N 124 124.000 124.000 125.239 -1.239 17768
7980 1 16 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.471 0.009 17768
7981 1 16 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.357 1.343 17768
7982 1 16 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.795 1.305 17768
7983 1 16 . 1 1 127 127 ILE H H 124 8.740 8.740 8.349 0.391 17768
7984 1 16 . 1 1 128 128 ILE N N 125 126.200 126.200 130.491 -4.291 17768
7985 1 16 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.346 0.434 17768
7986 1 16 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.334 -0.234 17768
7987 1 16 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.432 2.368 17768
7988 1 16 . 1 1 128 128 ILE H H 125 8.640 8.640 8.868 -0.228 17768
7989 1 16 . 1 1 129 129 LYS N N 126 126.300 126.300 128.621 -2.321 17768
7990 1 16 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.817 0.593 17768
7991 1 16 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.633 0.967 17768
7992 1 16 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.018 1.082 17768
7993 1 16 . 1 1 129 129 LYS H H 126 8.990 8.990 8.495 0.495 17768
7994 1 16 . 1 1 130 130 VAL N N 127 126.300 126.300 122.838 3.462 17768
7995 1 16 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.209 0.351 17768
7996 1 16 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.482 0.618 17768
7997 1 16 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.255 0.744 17768
7998 1 16 . 1 1 130 130 VAL H H 127 8.880 8.880 8.643 0.237 17768
7999 1 16 . 1 1 131 131 ARG N N 128 126.600 126.600 123.211 3.389 17768
8000 1 16 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.238 -0.278 17768
8001 1 16 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.205 1.395 17768
8002 1 16 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.998 -0.398 17768
8003 1 16 . 1 1 131 131 ARG H H 128 8.720 8.720 7.876 0.844 17768
8004 1 16 . 1 1 132 132 PHE N N 129 125.700 125.700 124.505 1.195 17768
8005 1 16 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.509 0.101 17768
8006 1 16 . 1 1 132 132 PHE CA C 129 56.600 56.600 54.915 1.685 17768
8007 1 16 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.923 0.477 17768
8008 1 16 . 1 1 132 132 PHE H H 129 9.720 9.720 9.203 0.517 17768
8009 1 16 . 1 1 133 133 THR N N 130 114.700 114.700 117.673 -2.973 17768
8010 1 16 . 1 1 133 133 THR HA H 130 5.070 5.070 5.185 -0.115 17768
8011 1 16 . 1 1 133 133 THR CA C 130 61.800 61.800 61.997 -0.197 17768
8012 1 16 . 1 1 133 133 THR CB C 130 71.100 71.100 71.871 -0.771 17768
8013 1 16 . 1 1 133 133 THR H H 130 9.100 9.100 9.270 -0.170 17768
8014 1 16 . 1 1 134 134 ILE N N 131 123.000 123.000 121.547 1.453 17768
8015 1 16 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.422 0.978 17768
8016 1 16 . 1 1 134 134 ILE H H 131 8.400 8.400 8.277 0.123 17768
8017 1 17 . 1 1 6 6 TRP HA H 3 4.240 4.240 5.024 -0.784 17768
8018 1 17 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.142 -0.242 17768
8019 1 17 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.905 0.895 17768
8020 1 17 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.181 -1.481 17768
8021 1 17 . 1 1 9 9 ALA N N 6 122.500 122.500 121.509 0.991 17768
8022 1 17 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.048 -1.068 17768
8023 1 17 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.379 -0.679 17768
8024 1 17 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.018 0.782 17768
8025 1 17 . 1 1 9 9 ALA H H 6 8.150 8.150 7.819 0.331 17768
8026 1 17 . 1 1 10 10 SER N N 7 112.300 112.300 114.780 -2.480 17768
8027 1 17 . 1 1 10 10 SER HA H 7 3.660 3.660 4.357 -0.697 17768
8028 1 17 . 1 1 10 10 SER CA C 7 62.300 62.300 61.324 0.976 17768
8029 1 17 . 1 1 10 10 SER H H 7 7.910 7.910 7.917 -0.007 17768
8030 1 17 . 1 1 11 11 ARG N N 8 122.300 122.300 119.425 2.875 17768
8031 1 17 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.066 -0.116 17768
8032 1 17 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.853 0.747 17768
8033 1 17 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.859 -0.059 17768
8034 1 17 . 1 1 11 11 ARG H H 8 7.390 7.390 7.778 -0.388 17768
8035 1 17 . 1 1 12 12 ALA N N 9 121.500 121.500 124.009 -2.509 17768
8036 1 17 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.747 0.123 17768
8037 1 17 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.382 0.618 17768
8038 1 17 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.984 2.216 17768
8039 1 17 . 1 1 12 12 ALA H H 9 7.720 7.720 8.161 -0.441 17768
8040 1 17 . 1 1 13 13 LEU N N 10 119.000 119.000 118.609 0.391 17768
8041 1 17 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.850 -0.940 17768
8042 1 17 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.361 0.239 17768
8043 1 17 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.237 0.763 17768
8044 1 17 . 1 1 13 13 LEU H H 10 7.940 7.940 7.225 0.715 17768
8045 1 17 . 1 1 14 14 GLN N N 11 119.300 119.300 120.058 -0.758 17768
8046 1 17 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.755 -0.405 17768
8047 1 17 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.908 1.792 17768
8048 1 17 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.136 -0.136 17768
8049 1 17 . 1 1 14 14 GLN H H 11 7.390 7.390 8.399 -1.009 17768
8050 1 17 . 1 1 15 15 LYS N N 12 116.200 116.200 120.657 -4.457 17768
8051 1 17 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.257 -0.637 17768
8052 1 17 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.523 -0.223 17768
8053 1 17 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.277 0.523 17768
8054 1 17 . 1 1 15 15 LYS H H 12 7.470 7.470 7.400 0.070 17768
8055 1 17 . 1 1 16 16 ALA N N 13 121.700 121.700 121.536 0.164 17768
8056 1 17 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.142 0.028 17768
8057 1 17 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.080 0.320 17768
8058 1 17 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.178 1.422 17768
8059 1 17 . 1 1 16 16 ALA H H 13 8.560 8.560 8.283 0.277 17768
8060 1 17 . 1 1 17 17 THR N N 14 108.700 108.700 115.709 -7.009 17768
8061 1 17 . 1 1 17 17 THR HA H 14 3.650 3.650 4.139 -0.489 17768
8062 1 17 . 1 1 17 17 THR CA C 14 66.500 66.500 66.921 -0.421 17768
8063 1 17 . 1 1 17 17 THR CB C 14 69.300 69.300 69.000 0.300 17768
8064 1 17 . 1 1 17 17 THR H H 14 8.210 8.210 7.830 0.380 17768
8065 1 17 . 1 1 18 18 VAL N N 15 122.600 122.600 121.441 1.159 17768
8066 1 17 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.741 -0.341 17768
8067 1 17 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.383 2.017 17768
8068 1 17 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.684 -0.184 17768
8069 1 17 . 1 1 18 18 VAL H H 15 7.570 7.570 8.382 -0.812 17768
8070 1 17 . 1 1 19 19 GLU N N 16 117.400 117.400 120.192 -2.792 17768
8071 1 17 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.092 0.078 17768
8072 1 17 . 1 1 19 19 GLU CA C 16 59.700 59.700 60.043 -0.343 17768
8073 1 17 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.422 -0.222 17768
8074 1 17 . 1 1 19 19 GLU H H 16 7.560 7.560 8.336 -0.776 17768
8075 1 17 . 1 1 20 20 ASN N N 17 120.900 120.900 119.477 1.423 17768
8076 1 17 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.613 -0.383 17768
8077 1 17 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.154 1.046 17768
8078 1 17 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.714 0.186 17768
8079 1 17 . 1 1 20 20 ASN H H 17 8.150 8.150 8.117 0.033 17768
8080 1 17 . 1 1 21 21 LEU N N 18 119.500 119.500 120.034 -0.534 17768
8081 1 17 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.150 -0.230 17768
8082 1 17 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.860 2.240 17768
8083 1 17 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.923 0.676 17768
8084 1 17 . 1 1 21 21 LEU H H 18 8.500 8.500 8.138 0.362 17768
8085 1 17 . 1 1 22 22 GLU N N 19 112.100 112.100 114.160 -2.060 17768
8086 1 17 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.238 0.362 17768
8087 1 17 . 1 1 22 22 GLU CA C 19 58.700 58.700 57.696 1.004 17768
8088 1 17 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.905 0.295 17768
8089 1 17 . 1 1 22 22 GLU H H 19 8.450 8.450 8.034 0.416 17768
8090 1 17 . 1 1 23 23 SER N N 20 110.300 110.300 115.259 -4.959 17768
8091 1 17 . 1 1 23 23 SER HA H 20 4.490 4.490 4.522 -0.032 17768
8092 1 17 . 1 1 23 23 SER CA C 20 58.600 58.600 60.292 -1.692 17768
8093 1 17 . 1 1 23 23 SER H H 20 7.570 7.570 7.848 -0.278 17768
8094 1 17 . 1 1 24 24 TYR N N 21 125.300 125.300 125.401 -0.101 17768
8095 1 17 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.281 0.299 17768
8096 1 17 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.621 2.079 17768
8097 1 17 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.359 0.041 17768
8098 1 17 . 1 1 24 24 TYR H H 21 7.560 7.560 8.071 -0.511 17768
8099 1 17 . 1 1 25 25 GLN N N 22 130.000 130.000 128.372 1.628 17768
8100 1 17 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.910 -0.060 17768
8101 1 17 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.699 1.101 17768
8102 1 17 . 1 1 25 25 GLN CB C 22 26.300 26.300 26.057 0.243 17768
8103 1 17 . 1 1 25 25 GLN H H 22 8.710 8.710 8.345 0.365 17768
8104 1 17 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.314 -0.304 17768
8105 1 17 . 1 1 27 27 LEU N N 24 112.400 112.400 118.254 -5.854 17768
8106 1 17 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.054 0.156 17768
8107 1 17 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.839 -0.539 17768
8108 1 17 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.122 0.978 17768
8109 1 17 . 1 1 27 27 LEU H H 24 6.720 6.720 7.683 -0.963 17768
8110 1 17 . 1 1 28 28 MET N N 25 116.900 116.900 115.442 1.458 17768
8111 1 17 . 1 1 28 28 MET HA H 25 4.510 4.510 4.464 0.046 17768
8112 1 17 . 1 1 28 28 MET CA C 25 55.900 55.900 56.392 -0.492 17768
8113 1 17 . 1 1 28 28 MET CB C 25 29.100 29.100 31.525 -2.425 17768
8114 1 17 . 1 1 28 28 MET H H 25 7.620 7.620 7.805 -0.185 17768
8115 1 17 . 1 1 29 29 GLU N N 26 116.100 116.100 118.603 -2.503 17768
8116 1 17 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.189 -0.049 17768
8117 1 17 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.340 0.060 17768
8118 1 17 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.756 0.544 17768
8119 1 17 . 1 1 29 29 GLU H H 26 8.060 8.060 7.392 0.668 17768
8120 1 17 . 1 1 30 30 MET N N 27 115.100 115.100 116.206 -1.106 17768
8121 1 17 . 1 1 30 30 MET HA H 27 4.450 4.450 4.426 0.024 17768
8122 1 17 . 1 1 30 30 MET CA C 27 57.000 57.000 56.415 0.585 17768
8123 1 17 . 1 1 30 30 MET CB C 27 36.500 36.500 33.776 2.724 17768
8124 1 17 . 1 1 30 30 MET H H 27 7.920 7.920 7.994 -0.074 17768
8125 1 17 . 1 1 31 31 VAL N N 28 107.100 107.100 116.343 -9.243 17768
8126 1 17 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.537 0.173 17768
8127 1 17 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.806 -2.206 17768
8128 1 17 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.942 1.558 17768
8129 1 17 . 1 1 31 31 VAL H H 28 7.180 7.180 7.691 -0.511 17768
8130 1 17 . 1 1 32 32 ASN N N 29 115.300 115.300 122.218 -6.918 17768
8131 1 17 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.888 -0.188 17768
8132 1 17 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.644 2.156 17768
8133 1 17 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.956 0.444 17768
8134 1 17 . 1 1 32 32 ASN H H 29 8.670 8.670 9.021 -0.351 17768
8135 1 17 . 1 1 33 33 GLN N N 30 108.900 108.900 118.776 -9.876 17768
8136 1 17 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.524 0.096 17768
8137 1 17 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.289 0.311 17768
8138 1 17 . 1 1 33 33 GLN CB C 30 30.400 30.400 29.873 0.527 17768
8139 1 17 . 1 1 33 33 GLN H H 30 7.190 7.190 8.122 -0.932 17768
8140 1 17 . 1 1 34 34 VAL N N 31 122.000 122.000 121.441 0.559 17768
8141 1 17 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.941 -0.031 17768
8142 1 17 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.647 0.953 17768
8143 1 17 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.003 2.797 17768
8144 1 17 . 1 1 34 34 VAL H H 31 8.860 8.860 8.046 0.814 17768
8145 1 17 . 1 1 35 35 THR N N 32 119.200 119.200 122.533 -3.333 17768
8146 1 17 . 1 1 35 35 THR HA H 32 4.900 4.900 4.739 0.161 17768
8147 1 17 . 1 1 35 35 THR CA C 32 59.100 59.100 60.821 -1.721 17768
8148 1 17 . 1 1 35 35 THR CB C 32 70.100 70.100 71.847 -1.747 17768
8149 1 17 . 1 1 35 35 THR H H 32 8.910 8.910 8.375 0.535 17768
8150 1 17 . 1 1 36 36 GLU H H 33 8.200 8.200 8.809 -0.609 17768
8151 1 17 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.717 -0.597 17768
8152 1 17 . 1 1 39 39 GLY N N 36 111.100 111.100 108.836 2.264 17768
8153 1 17 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.862 -1.162 17768
8154 1 17 . 1 1 39 39 GLY H H 36 8.570 8.570 8.423 0.147 17768
8155 1 17 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.103 -0.283 17768
8156 1 17 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.703 1.097 17768
8157 1 17 . 1 1 40 40 LYS CB C 37 32.600 32.600 30.948 1.652 17768
8158 1 17 . 1 1 40 40 LYS H H 37 7.070 7.070 8.628 -1.558 17768
8159 1 17 . 1 1 41 41 ASP N N 38 116.100 116.100 118.892 -2.792 17768
8160 1 17 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.730 -0.160 17768
8161 1 17 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.365 0.135 17768
8162 1 17 . 1 1 41 41 ASP CB C 38 40.800 40.800 41.519 -0.719 17768
8163 1 17 . 1 1 41 41 ASP H H 38 8.250 8.250 7.647 0.603 17768
8164 1 17 . 1 1 42 42 ASP N N 39 123.300 123.300 120.812 2.488 17768
8165 1 17 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.787 -0.337 17768
8166 1 17 . 1 1 42 42 ASP CA C 39 53.500 53.500 51.730 1.770 17768
8167 1 17 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.681 -1.381 17768
8168 1 17 . 1 1 42 42 ASP H H 39 7.070 7.070 7.694 -0.624 17768
8169 1 17 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.036 0.264 17768
8170 1 17 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.975 -0.475 17768
8171 1 17 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.094 0.006 17768
8172 1 17 . 1 1 44 44 TYR N N 41 122.700 122.700 121.591 1.109 17768
8173 1 17 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.872 -0.272 17768
8174 1 17 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.135 -1.035 17768
8175 1 17 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.755 -0.255 17768
8176 1 17 . 1 1 44 44 TYR H H 41 8.200 8.200 7.855 0.345 17768
8177 1 17 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.362 0.238 17768
8178 1 17 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.705 -0.205 17768
8179 1 17 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.610 2.490 17768
8180 1 17 . 1 1 46 46 TYR N N 43 113.000 113.000 116.530 -3.530 17768
8181 1 17 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.802 0.358 17768
8182 1 17 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.965 -0.265 17768
8183 1 17 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.611 1.289 17768
8184 1 17 . 1 1 46 46 TYR H H 43 8.640 8.640 8.539 0.101 17768
8185 1 17 . 1 1 47 47 VAL N N 44 118.300 118.300 119.344 -1.044 17768
8186 1 17 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.716 0.784 17768
8187 1 17 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.726 0.074 17768
8188 1 17 . 1 1 47 47 VAL CB C 44 35.300 35.300 36.127 -0.827 17768
8189 1 17 . 1 1 47 47 VAL H H 44 8.210 8.210 8.295 -0.085 17768
8190 1 17 . 1 1 48 48 VAL N N 45 127.100 127.100 119.219 7.881 17768
8191 1 17 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.368 0.142 17768
8192 1 17 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.045 0.654 17768
8193 1 17 . 1 1 48 48 VAL CB C 45 35.300 35.300 36.082 -0.782 17768
8194 1 17 . 1 1 48 48 VAL H H 45 9.960 9.960 8.671 1.289 17768
8195 1 17 . 1 1 49 49 ILE N N 46 126.500 126.500 121.227 5.273 17768
8196 1 17 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.725 -0.735 17768
8197 1 17 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.003 0.897 17768
8198 1 17 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.700 0.500 17768
8199 1 17 . 1 1 49 49 ILE H H 46 8.160 8.160 7.983 0.177 17768
8200 1 17 . 1 1 50 50 GLY N N 47 116.200 116.200 113.418 2.782 17768
8201 1 17 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.368 -0.468 17768
8202 1 17 . 1 1 50 50 GLY H H 47 8.100 8.100 8.224 -0.124 17768
8203 1 17 . 1 1 51 51 ASP N N 48 118.000 118.000 119.255 -1.255 17768
8204 1 17 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.278 -0.788 17768
8205 1 17 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.067 1.833 17768
8206 1 17 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.188 -1.688 17768
8207 1 17 . 1 1 51 51 ASP H H 48 8.150 8.150 8.367 -0.217 17768
8208 1 17 . 1 1 52 52 GLN N N 49 118.000 118.000 124.508 -6.508 17768
8209 1 17 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.758 0.152 17768
8210 1 17 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.639 -0.639 17768
8211 1 17 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.689 0.411 17768
8212 1 17 . 1 1 52 52 GLN H H 49 8.400 8.400 8.495 -0.095 17768
8213 1 17 . 1 1 53 53 SER N N 50 115.900 115.900 116.413 -0.513 17768
8214 1 17 . 1 1 53 53 SER CA C 50 58.200 58.200 58.236 -0.036 17768
8215 1 17 . 1 1 53 53 SER CB C 50 64.700 64.700 64.207 0.493 17768
8216 1 17 . 1 1 53 53 SER H H 50 8.770 8.770 8.190 0.580 17768
8217 1 17 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.620 -0.320 17768
8218 1 17 . 1 1 57 57 PHE N N 54 126.200 126.200 125.725 0.475 17768
8219 1 17 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.688 0.172 17768
8220 1 17 . 1 1 57 57 PHE CA C 54 53.100 53.100 57.383 -4.283 17768
8221 1 17 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.557 -1.157 17768
8222 1 17 . 1 1 57 57 PHE H H 54 8.620 8.620 8.427 0.193 17768
8223 1 17 . 1 1 59 59 THR HA H 56 4.910 4.910 4.479 0.431 17768
8224 1 17 . 1 1 60 60 LYS N N 57 123.900 123.900 125.273 -1.373 17768
8225 1 17 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.438 0.232 17768
8226 1 17 . 1 1 60 60 LYS CA C 57 56.900 56.900 55.623 1.277 17768
8227 1 17 . 1 1 60 60 LYS CB C 57 31.400 31.400 33.081 -1.681 17768
8228 1 17 . 1 1 60 60 LYS H H 57 8.760 8.760 8.558 0.202 17768
8229 1 17 . 1 1 61 61 SER N N 58 113.900 113.900 115.461 -1.561 17768
8230 1 17 . 1 1 61 61 SER HA H 58 4.690 4.690 4.144 0.546 17768
8231 1 17 . 1 1 61 61 SER CA C 58 55.000 55.000 58.967 -3.967 17768
8232 1 17 . 1 1 61 61 SER CB C 58 63.000 63.000 62.297 0.703 17768
8233 1 17 . 1 1 61 61 SER H H 58 8.400 8.400 8.852 -0.452 17768
8234 1 17 . 1 1 66 66 ASN N N 63 117.100 117.100 118.291 -1.191 17768
8235 1 17 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.752 -0.092 17768
8236 1 17 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.311 0.789 17768
8237 1 17 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.647 0.753 17768
8238 1 17 . 1 1 66 66 ASN H H 63 8.260 8.260 7.803 0.457 17768
8239 1 17 . 1 1 67 67 ILE N N 64 120.300 120.300 122.232 -1.932 17768
8240 1 17 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.458 0.162 17768
8241 1 17 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.834 1.466 17768
8242 1 17 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.952 4.248 17768
8243 1 17 . 1 1 67 67 ILE H H 64 8.910 8.910 9.018 -0.108 17768
8244 1 17 . 1 1 68 68 THR N N 65 124.100 124.100 122.332 1.768 17768
8245 1 17 . 1 1 68 68 THR HA H 65 5.490 5.490 5.071 0.419 17768
8246 1 17 . 1 1 68 68 THR CA C 65 61.900 61.900 60.847 1.053 17768
8247 1 17 . 1 1 68 68 THR CB C 65 70.200 70.200 69.730 0.470 17768
8248 1 17 . 1 1 68 68 THR H H 65 8.940 8.940 8.581 0.359 17768
8249 1 17 . 1 1 69 69 MET N N 66 126.700 126.700 124.921 1.779 17768
8250 1 17 . 1 1 69 69 MET HA H 66 5.050 5.050 5.102 -0.052 17768
8251 1 17 . 1 1 69 69 MET CA C 66 55.100 55.100 54.515 0.585 17768
8252 1 17 . 1 1 69 69 MET CB C 66 38.100 38.100 37.837 0.263 17768
8253 1 17 . 1 1 69 69 MET H H 66 9.200 9.200 8.838 0.362 17768
8254 1 17 . 1 1 70 70 ASP N N 67 123.500 123.500 120.949 2.551 17768
8255 1 17 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.418 -0.008 17768
8256 1 17 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.588 0.412 17768
8257 1 17 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.848 -1.348 17768
8258 1 17 . 1 1 70 70 ASP H H 67 7.720 7.720 8.284 -0.564 17768
8259 1 17 . 1 1 71 71 PHE N N 68 116.900 116.900 116.361 0.539 17768
8260 1 17 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.384 -0.554 17768
8261 1 17 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.091 1.909 17768
8262 1 17 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.261 1.739 17768
8263 1 17 . 1 1 71 71 PHE H H 68 9.130 9.130 8.913 0.217 17768
8264 1 17 . 1 1 72 72 HIS N N 69 120.400 120.400 120.526 -0.126 17768
8265 1 17 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.931 0.499 17768
8266 1 17 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.940 0.260 17768
8267 1 17 . 1 1 72 72 HIS CB C 69 35.100 35.100 32.539 2.561 17768
8268 1 17 . 1 1 72 72 HIS H H 69 9.350 9.350 9.368 -0.018 17768
8269 1 17 . 1 1 73 73 VAL N N 70 124.900 124.900 122.470 2.430 17768
8270 1 17 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.031 0.409 17768
8271 1 17 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.335 2.665 17768
8272 1 17 . 1 1 73 73 VAL CB C 70 34.300 34.300 34.398 -0.098 17768
8273 1 17 . 1 1 73 73 VAL H H 70 9.610 9.610 8.454 1.156 17768
8274 1 17 . 1 1 74 74 TRP N N 71 129.500 129.500 126.868 2.632 17768
8275 1 17 . 1 1 74 74 TRP HA H 71 4.940 4.940 4.962 -0.022 17768
8276 1 17 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.214 0.586 17768
8277 1 17 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.631 -1.631 17768
8278 1 17 . 1 1 74 74 TRP H H 71 8.790 8.790 8.490 0.300 17768
8279 1 17 . 1 1 75 75 GLY CA C 72 44.400 44.400 43.868 0.532 17768
8280 1 17 . 1 1 76 76 GLY N N 73 105.500 105.500 107.702 -2.202 17768
8281 1 17 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.407 -0.608 17768
8282 1 17 . 1 1 76 76 GLY H H 73 8.710 8.710 8.089 0.621 17768
8283 1 17 . 1 1 77 77 THR N N 74 114.200 114.200 115.341 -1.141 17768
8284 1 17 . 1 1 77 77 THR HA H 74 4.460 4.460 4.352 0.108 17768
8285 1 17 . 1 1 77 77 THR CA C 74 62.700 62.700 62.580 0.120 17768
8286 1 17 . 1 1 77 77 THR CB C 74 70.000 70.000 69.761 0.239 17768
8287 1 17 . 1 1 77 77 THR H H 74 9.010 9.010 8.653 0.357 17768
8288 1 17 . 1 1 78 78 THR N N 75 110.800 110.800 115.456 -4.656 17768
8289 1 17 . 1 1 78 78 THR CA C 75 59.100 59.100 59.814 -0.714 17768
8290 1 17 . 1 1 78 78 THR H H 75 7.960 7.960 7.680 0.280 17768
8291 1 17 . 1 1 79 79 ARG CA C 76 60.300 60.300 58.360 1.940 17768
8292 1 17 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.742 -0.142 17768
8293 1 17 . 1 1 80 80 ALA N N 77 120.500 120.500 122.428 -1.928 17768
8294 1 17 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.073 -0.053 17768
8295 1 17 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.630 0.770 17768
8296 1 17 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.476 0.225 17768
8297 1 17 . 1 1 80 80 ALA H H 77 8.290 8.290 8.322 -0.032 17768
8298 1 17 . 1 1 81 81 GLU N N 78 118.800 118.800 118.493 0.307 17768
8299 1 17 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.172 -0.132 17768
8300 1 17 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.418 0.282 17768
8301 1 17 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.206 1.294 17768
8302 1 17 . 1 1 81 81 GLU H H 78 7.930 7.930 7.953 -0.023 17768
8303 1 17 . 1 1 82 82 ALA N N 79 119.700 119.700 121.095 -1.395 17768
8304 1 17 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.024 -0.144 17768
8305 1 17 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.401 0.099 17768
8306 1 17 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.429 -0.029 17768
8307 1 17 . 1 1 82 82 ALA H H 79 7.470 7.470 7.710 -0.240 17768
8308 1 17 . 1 1 83 83 GLN N N 80 120.700 120.700 118.481 2.219 17768
8309 1 17 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.052 -0.222 17768
8310 1 17 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.812 0.388 17768
8311 1 17 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.659 0.041 17768
8312 1 17 . 1 1 83 83 GLN H H 80 8.690 8.690 7.643 1.047 17768
8313 1 17 . 1 1 84 84 ASP N N 81 123.100 123.100 121.232 1.868 17768
8314 1 17 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.344 0.026 17768
8315 1 17 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.877 0.623 17768
8316 1 17 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.638 -0.338 17768
8317 1 17 . 1 1 84 84 ASP H H 81 8.480 8.480 8.541 -0.061 17768
8318 1 17 . 1 1 85 85 ILE N N 82 119.300 119.300 116.621 2.679 17768
8319 1 17 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.779 -0.239 17768
8320 1 17 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.916 1.784 17768
8321 1 17 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.598 0.902 17768
8322 1 17 . 1 1 85 85 ILE H H 82 8.340 8.340 8.156 0.184 17768
8323 1 17 . 1 1 86 86 SER N N 83 114.800 114.800 116.279 -1.479 17768
8324 1 17 . 1 1 86 86 SER HA H 83 4.560 4.560 4.051 0.509 17768
8325 1 17 . 1 1 86 86 SER CA C 83 63.500 63.500 61.805 1.695 17768
8326 1 17 . 1 1 86 86 SER H H 83 7.880 7.880 7.827 0.053 17768
8327 1 17 . 1 1 87 87 SER N N 84 117.400 117.400 117.439 -0.039 17768
8328 1 17 . 1 1 87 87 SER HA H 84 4.400 4.400 4.139 0.261 17768
8329 1 17 . 1 1 87 87 SER CA C 84 58.100 58.100 61.830 -3.730 17768
8330 1 17 . 1 1 87 87 SER H H 84 8.320 8.320 8.484 -0.164 17768
8331 1 17 . 1 1 88 88 ARG N N 85 121.100 121.100 120.671 0.429 17768
8332 1 17 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.261 -0.171 17768
8333 1 17 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.124 0.576 17768
8334 1 17 . 1 1 88 88 ARG H H 85 7.780 7.780 8.415 -0.635 17768
8335 1 17 . 1 1 89 89 VAL N N 86 121.200 121.200 121.324 -0.124 17768
8336 1 17 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.614 -0.254 17768
8337 1 17 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.417 1.083 17768
8338 1 17 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.708 -0.708 17768
8339 1 17 . 1 1 89 89 VAL H H 86 8.190 8.190 7.929 0.261 17768
8340 1 17 . 1 1 90 90 LEU N N 87 117.500 117.500 119.673 -2.173 17768
8341 1 17 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.849 -0.159 17768
8342 1 17 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.349 -0.049 17768
8343 1 17 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.075 0.225 17768
8344 1 17 . 1 1 90 90 LEU H H 87 7.330 7.330 7.921 -0.591 17768
8345 1 17 . 1 1 91 91 GLU N N 88 118.500 118.500 119.592 -1.092 17768
8346 1 17 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.902 -0.282 17768
8347 1 17 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.037 0.063 17768
8348 1 17 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.541 1.059 17768
8349 1 17 . 1 1 91 91 GLU H H 88 7.810 7.810 7.818 -0.008 17768
8350 1 17 . 1 1 92 92 ALA N N 89 121.800 121.800 121.331 0.469 17768
8351 1 17 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.719 -0.659 17768
8352 1 17 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.810 -0.410 17768
8353 1 17 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.978 1.222 17768
8354 1 17 . 1 1 92 92 ALA H H 89 7.820 7.820 7.719 0.101 17768
8355 1 17 . 1 1 93 93 LEU N N 90 113.600 113.600 118.951 -5.351 17768
8356 1 17 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.344 -0.324 17768
8357 1 17 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.798 -0.598 17768
8358 1 17 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.669 2.031 17768
8359 1 17 . 1 1 93 93 LEU H H 90 7.570 7.570 8.396 -0.826 17768
8360 1 17 . 1 1 94 94 THR N N 91 102.400 102.400 110.604 -8.204 17768
8361 1 17 . 1 1 94 94 THR HA H 91 4.510 4.510 4.415 0.095 17768
8362 1 17 . 1 1 94 94 THR CA C 91 61.500 61.500 62.533 -1.033 17768
8363 1 17 . 1 1 94 94 THR CB C 91 71.300 71.300 68.334 2.966 17768
8364 1 17 . 1 1 94 94 THR H H 91 7.280 7.280 7.621 -0.341 17768
8365 1 17 . 1 1 95 95 TYR N N 92 123.600 123.600 122.611 0.989 17768
8366 1 17 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.334 -0.004 17768
8367 1 17 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.689 0.011 17768
8368 1 17 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.214 -1.614 17768
8369 1 17 . 1 1 95 95 TYR H H 92 7.900 7.900 7.534 0.366 17768
8370 1 17 . 1 1 96 96 LYS N N 93 117.500 117.500 120.733 -3.233 17768
8371 1 17 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.473 0.077 17768
8372 1 17 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.250 1.450 17768
8373 1 17 . 1 1 96 96 LYS CB C 93 33.500 33.500 32.825 0.675 17768
8374 1 17 . 1 1 96 96 LYS H H 93 7.000 7.000 7.512 -0.512 17768
8375 1 17 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.419 -0.049 17768
8376 1 17 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.529 1.071 17768
8377 1 17 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.518 0.182 17768
8378 1 17 . 1 1 98 98 LEU N N 95 125.400 125.400 123.192 2.208 17768
8379 1 17 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.384 0.236 17768
8380 1 17 . 1 1 98 98 LEU CA C 95 53.800 53.800 55.118 -1.318 17768
8381 1 17 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.706 2.894 17768
8382 1 17 . 1 1 98 98 LEU H H 95 8.380 8.380 8.626 -0.246 17768
8383 1 17 . 1 1 99 99 MET N N 96 123.100 123.100 123.409 -0.309 17768
8384 1 17 . 1 1 99 99 MET HA H 96 5.480 5.480 5.338 0.142 17768
8385 1 17 . 1 1 99 99 MET CA C 96 55.200 55.200 54.613 0.587 17768
8386 1 17 . 1 1 99 99 MET CB C 96 37.200 37.200 36.921 0.279 17768
8387 1 17 . 1 1 99 99 MET H H 96 8.480 8.480 8.363 0.117 17768
8388 1 17 . 1 1 100 100 PHE N N 97 122.900 122.900 125.646 -2.746 17768
8389 1 17 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.945 -0.555 17768
8390 1 17 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.792 2.508 17768
8391 1 17 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.233 1.867 17768
8392 1 17 . 1 1 100 100 PHE H H 97 8.640 8.640 9.262 -0.622 17768
8393 1 17 . 1 1 101 101 GLU N N 98 125.300 125.300 126.558 -1.258 17768
8394 1 17 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.798 -0.368 17768
8395 1 17 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.671 1.529 17768
8396 1 17 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.368 1.032 17768
8397 1 17 . 1 1 101 101 GLU H H 98 8.640 8.640 9.041 -0.401 17768
8398 1 17 . 1 1 102 102 GLY N N 99 107.100 107.100 103.446 3.654 17768
8399 1 17 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.866 0.834 17768
8400 1 17 . 1 1 102 102 GLY H H 99 8.250 8.250 8.176 0.074 17768
8401 1 17 . 1 1 103 103 PHE N N 100 120.200 120.200 123.784 -3.584 17768
8402 1 17 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.563 0.167 17768
8403 1 17 . 1 1 103 103 PHE CA C 100 57.900 57.900 55.610 2.290 17768
8404 1 17 . 1 1 103 103 PHE CB C 100 43.000 43.000 39.934 3.066 17768
8405 1 17 . 1 1 103 103 PHE H H 100 8.310 8.310 7.575 0.735 17768
8406 1 17 . 1 1 104 104 THR N N 101 116.100 116.100 123.131 -7.031 17768
8407 1 17 . 1 1 104 104 THR HA H 101 4.970 4.970 4.674 0.296 17768
8408 1 17 . 1 1 104 104 THR CA C 101 61.900 61.900 61.195 0.705 17768
8409 1 17 . 1 1 104 104 THR CB C 101 71.400 71.400 69.940 1.460 17768
8410 1 17 . 1 1 104 104 THR H H 101 8.250 8.250 8.237 0.013 17768
8411 1 17 . 1 1 105 105 PHE N N 102 123.200 123.200 125.179 -1.979 17768
8412 1 17 . 1 1 105 105 PHE HA H 102 5.610 5.610 5.223 0.387 17768
8413 1 17 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.603 -0.003 17768
8414 1 17 . 1 1 105 105 PHE CB C 102 42.600 42.600 40.894 1.706 17768
8415 1 17 . 1 1 105 105 PHE H H 102 8.840 8.840 8.054 0.786 17768
8416 1 17 . 1 1 106 106 VAL N N 103 120.000 120.000 122.449 -2.449 17768
8417 1 17 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.430 0.070 17768
8418 1 17 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.164 1.036 17768
8419 1 17 . 1 1 106 106 VAL CB C 103 35.200 35.200 35.360 -0.160 17768
8420 1 17 . 1 1 106 106 VAL H H 103 8.460 8.460 9.066 -0.606 17768
8421 1 17 . 1 1 107 107 ALA N N 104 130.400 130.400 129.686 0.714 17768
8422 1 17 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.329 -0.489 17768
8423 1 17 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.824 0.577 17768
8424 1 17 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.390 -1.590 17768
8425 1 17 . 1 1 107 107 ALA H H 104 9.210 9.210 8.552 0.658 17768
8426 1 17 . 1 1 108 108 LYS N N 105 127.100 127.100 125.043 2.057 17768
8427 1 17 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.453 -0.223 17768
8428 1 17 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.698 0.502 17768
8429 1 17 . 1 1 108 108 LYS H H 105 8.670 8.670 8.632 0.038 17768
8430 1 17 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.243 0.257 17768
8431 1 17 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.820 0.380 17768
8432 1 17 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.781 0.719 17768
8433 1 17 . 1 1 116 116 ILE N N 113 125.200 125.200 124.416 0.784 17768
8434 1 17 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.394 0.126 17768
8435 1 17 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.300 -0.400 17768
8436 1 17 . 1 1 116 116 ILE CB C 113 41.700 41.700 38.156 3.544 17768
8437 1 17 . 1 1 116 116 ILE H H 113 8.760 8.760 8.245 0.515 17768
8438 1 17 . 1 1 117 117 THR N N 114 119.000 119.000 122.048 -3.048 17768
8439 1 17 . 1 1 117 117 THR HA H 114 4.560 4.560 4.435 0.125 17768
8440 1 17 . 1 1 117 117 THR CA C 114 62.300 62.300 62.393 -0.093 17768
8441 1 17 . 1 1 117 117 THR CB C 114 69.400 69.400 70.052 -0.651 17768
8442 1 17 . 1 1 117 117 THR H H 114 8.380 8.380 8.339 0.041 17768
8443 1 17 . 1 1 118 118 ASP N N 115 126.200 126.200 127.280 -1.080 17768
8444 1 17 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.929 -0.279 17768
8445 1 17 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.584 0.916 17768
8446 1 17 . 1 1 118 118 ASP CB C 115 43.300 43.300 43.648 -0.348 17768
8447 1 17 . 1 1 118 118 ASP H H 115 8.920 8.920 8.645 0.275 17768
8448 1 17 . 1 1 119 119 THR HA H 116 3.990 3.990 4.165 -0.175 17768
8449 1 17 . 1 1 119 119 THR CA C 116 64.800 64.800 64.463 0.337 17768
8450 1 17 . 1 1 119 119 THR CB C 116 69.200 69.200 69.169 0.031 17768
8451 1 17 . 1 1 120 120 ASP N N 117 120.500 120.500 119.642 0.858 17768
8452 1 17 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.252 0.548 17768
8453 1 17 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.238 -1.538 17768
8454 1 17 . 1 1 120 120 ASP H H 117 8.360 8.360 8.126 0.234 17768
8455 1 17 . 1 1 121 121 GLY N N 118 108.600 108.600 109.425 -0.825 17768
8456 1 17 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.215 0.585 17768
8457 1 17 . 1 1 121 121 GLY H H 118 8.310 8.310 7.739 0.571 17768
8458 1 17 . 1 1 122 122 VAL N N 119 118.600 118.600 119.524 -0.924 17768
8459 1 17 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.198 0.002 17768
8460 1 17 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.320 1.880 17768
8461 1 17 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.033 2.967 17768
8462 1 17 . 1 1 122 122 VAL H H 119 8.500 8.500 7.621 0.879 17768
8463 1 17 . 1 1 123 123 THR N N 120 123.300 123.300 117.258 6.042 17768
8464 1 17 . 1 1 123 123 THR HA H 120 4.030 4.030 4.373 -0.343 17768
8465 1 17 . 1 1 123 123 THR CA C 120 64.800 64.800 62.031 2.769 17768
8466 1 17 . 1 1 123 123 THR CB C 120 68.400 68.400 69.564 -1.164 17768
8467 1 17 . 1 1 123 123 THR H H 120 9.700 9.700 8.344 1.356 17768
8468 1 17 . 1 1 124 124 LYS N N 121 125.500 125.500 127.189 -1.689 17768
8469 1 17 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.543 0.007 17768
8470 1 17 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.743 -1.443 17768
8471 1 17 . 1 1 124 124 LYS H H 121 8.650 8.650 8.662 -0.012 17768
8472 1 17 . 1 1 125 125 HIS N N 122 121.400 121.400 120.056 1.344 17768
8473 1 17 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.127 -0.047 17768
8474 1 17 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.753 -2.153 17768
8475 1 17 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.435 -0.835 17768
8476 1 17 . 1 1 125 125 HIS H H 122 8.580 8.580 8.220 0.360 17768
8477 1 17 . 1 1 126 126 GLY N N 123 114.000 114.000 109.540 4.460 17768
8478 1 17 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.354 -0.154 17768
8479 1 17 . 1 1 126 126 GLY H H 123 10.010 10.010 8.765 1.245 17768
8480 1 17 . 1 1 127 127 ILE N N 124 124.000 124.000 125.005 -1.005 17768
8481 1 17 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.470 0.010 17768
8482 1 17 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.289 1.411 17768
8483 1 17 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.328 1.772 17768
8484 1 17 . 1 1 127 127 ILE H H 124 8.740 8.740 8.420 0.320 17768
8485 1 17 . 1 1 128 128 ILE N N 125 126.200 126.200 130.419 -4.219 17768
8486 1 17 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.336 0.444 17768
8487 1 17 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.400 -0.300 17768
8488 1 17 . 1 1 128 128 ILE CB C 125 41.800 41.800 39.929 1.871 17768
8489 1 17 . 1 1 128 128 ILE H H 125 8.640 8.640 8.852 -0.212 17768
8490 1 17 . 1 1 129 129 LYS N N 126 126.300 126.300 128.653 -2.353 17768
8491 1 17 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.753 0.657 17768
8492 1 17 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.018 0.582 17768
8493 1 17 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.706 1.394 17768
8494 1 17 . 1 1 129 129 LYS H H 126 8.990 8.990 8.589 0.401 17768
8495 1 17 . 1 1 130 130 VAL N N 127 126.300 126.300 125.294 1.006 17768
8496 1 17 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.141 0.419 17768
8497 1 17 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.151 0.949 17768
8498 1 17 . 1 1 130 130 VAL CB C 127 36.000 36.000 34.947 1.053 17768
8499 1 17 . 1 1 130 130 VAL H H 127 8.880 8.880 8.829 0.051 17768
8500 1 17 . 1 1 131 131 ARG N N 128 126.600 126.600 122.689 3.911 17768
8501 1 17 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.358 -0.398 17768
8502 1 17 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.756 1.844 17768
8503 1 17 . 1 1 131 131 ARG CB C 128 32.600 32.600 31.230 1.370 17768
8504 1 17 . 1 1 131 131 ARG H H 128 8.720 8.720 7.853 0.867 17768
8505 1 17 . 1 1 132 132 PHE N N 129 125.700 125.700 125.275 0.425 17768
8506 1 17 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.263 0.347 17768
8507 1 17 . 1 1 132 132 PHE CA C 129 56.600 56.600 56.253 0.347 17768
8508 1 17 . 1 1 132 132 PHE CB C 129 42.400 42.400 40.729 1.671 17768
8509 1 17 . 1 1 132 132 PHE H H 129 9.720 9.720 9.212 0.508 17768
8510 1 17 . 1 1 133 133 THR N N 130 114.700 114.700 118.599 -3.899 17768
8511 1 17 . 1 1 133 133 THR HA H 130 5.070 5.070 4.871 0.199 17768
8512 1 17 . 1 1 133 133 THR CA C 130 61.800 61.800 61.774 0.026 17768
8513 1 17 . 1 1 133 133 THR CB C 130 71.100 71.100 70.659 0.441 17768
8514 1 17 . 1 1 133 133 THR H H 130 9.100 9.100 9.417 -0.317 17768
8515 1 17 . 1 1 134 134 ILE N N 131 123.000 123.000 123.072 -0.072 17768
8516 1 17 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.724 0.676 17768
8517 1 17 . 1 1 134 134 ILE H H 131 8.400 8.400 8.242 0.158 17768
8518 1 18 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.766 -0.526 17768
8519 1 18 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.450 -0.550 17768
8520 1 18 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.825 0.975 17768
8521 1 18 . 1 1 8 8 LEU CB C 5 39.700 39.700 40.867 -1.167 17768
8522 1 18 . 1 1 9 9 ALA N N 6 122.500 122.500 121.924 0.576 17768
8523 1 18 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.124 -1.144 17768
8524 1 18 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.415 -0.715 17768
8525 1 18 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.320 0.480 17768
8526 1 18 . 1 1 9 9 ALA H H 6 8.150 8.150 8.527 -0.377 17768
8527 1 18 . 1 1 10 10 SER N N 7 112.300 112.300 113.928 -1.628 17768
8528 1 18 . 1 1 10 10 SER HA H 7 3.660 3.660 4.308 -0.648 17768
8529 1 18 . 1 1 10 10 SER CA C 7 62.300 62.300 61.811 0.489 17768
8530 1 18 . 1 1 10 10 SER H H 7 7.910 7.910 8.306 -0.396 17768
8531 1 18 . 1 1 11 11 ARG N N 8 122.300 122.300 120.894 1.406 17768
8532 1 18 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.227 -0.277 17768
8533 1 18 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.078 0.522 17768
8534 1 18 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.116 -0.316 17768
8535 1 18 . 1 1 11 11 ARG H H 8 7.390 7.390 7.756 -0.366 17768
8536 1 18 . 1 1 12 12 ALA N N 9 121.500 121.500 123.159 -1.659 17768
8537 1 18 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.799 0.071 17768
8538 1 18 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.300 0.700 17768
8539 1 18 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.826 2.374 17768
8540 1 18 . 1 1 12 12 ALA H H 9 7.720 7.720 8.442 -0.722 17768
8541 1 18 . 1 1 13 13 LEU N N 10 119.000 119.000 120.063 -1.063 17768
8542 1 18 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.122 -1.212 17768
8543 1 18 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.632 -0.032 17768
8544 1 18 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.722 -0.723 17768
8545 1 18 . 1 1 13 13 LEU H H 10 7.940 7.940 7.546 0.394 17768
8546 1 18 . 1 1 14 14 GLN N N 11 119.300 119.300 118.324 0.976 17768
8547 1 18 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.862 -0.512 17768
8548 1 18 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.913 1.787 17768
8549 1 18 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.153 -0.153 17768
8550 1 18 . 1 1 14 14 GLN H H 11 7.390 7.390 8.380 -0.990 17768
8551 1 18 . 1 1 15 15 LYS N N 12 116.200 116.200 120.025 -3.825 17768
8552 1 18 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.133 -0.513 17768
8553 1 18 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.455 -0.155 17768
8554 1 18 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.396 0.404 17768
8555 1 18 . 1 1 15 15 LYS H H 12 7.470 7.470 7.621 -0.151 17768
8556 1 18 . 1 1 16 16 ALA N N 13 121.700 121.700 122.600 -0.900 17768
8557 1 18 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.363 -0.193 17768
8558 1 18 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.016 0.384 17768
8559 1 18 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.525 1.075 17768
8560 1 18 . 1 1 16 16 ALA H H 13 8.560 8.560 8.290 0.270 17768
8561 1 18 . 1 1 17 17 THR N N 14 108.700 108.700 116.074 -7.374 17768
8562 1 18 . 1 1 17 17 THR HA H 14 3.650 3.650 4.187 -0.537 17768
8563 1 18 . 1 1 17 17 THR CA C 14 66.500 66.500 66.961 -0.461 17768
8564 1 18 . 1 1 17 17 THR CB C 14 69.300 69.300 68.885 0.415 17768
8565 1 18 . 1 1 17 17 THR H H 14 8.210 8.210 8.323 -0.113 17768
8566 1 18 . 1 1 18 18 VAL N N 15 122.600 122.600 121.781 0.819 17768
8567 1 18 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.882 -0.482 17768
8568 1 18 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.416 1.984 17768
8569 1 18 . 1 1 18 18 VAL CB C 15 31.500 31.500 32.003 -0.503 17768
8570 1 18 . 1 1 18 18 VAL H H 15 7.570 7.570 8.359 -0.789 17768
8571 1 18 . 1 1 19 19 GLU N N 16 117.400 117.400 119.874 -2.474 17768
8572 1 18 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.032 0.138 17768
8573 1 18 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.590 0.110 17768
8574 1 18 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.584 -0.384 17768
8575 1 18 . 1 1 19 19 GLU H H 16 7.560 7.560 8.192 -0.632 17768
8576 1 18 . 1 1 20 20 ASN N N 17 120.900 120.900 118.891 2.009 17768
8577 1 18 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.648 -0.418 17768
8578 1 18 . 1 1 20 20 ASN CA C 17 57.200 57.200 55.779 1.421 17768
8579 1 18 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.072 -0.172 17768
8580 1 18 . 1 1 20 20 ASN H H 17 8.150 8.150 8.142 0.008 17768
8581 1 18 . 1 1 21 21 LEU N N 18 119.500 119.500 119.627 -0.127 17768
8582 1 18 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.210 -0.290 17768
8583 1 18 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.927 2.173 17768
8584 1 18 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.853 0.747 17768
8585 1 18 . 1 1 21 21 LEU H H 18 8.500 8.500 8.267 0.233 17768
8586 1 18 . 1 1 22 22 GLU N N 19 112.100 112.100 116.689 -4.589 17768
8587 1 18 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.153 0.447 17768
8588 1 18 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.355 0.345 17768
8589 1 18 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.677 0.523 17768
8590 1 18 . 1 1 22 22 GLU H H 19 8.450 8.450 7.849 0.601 17768
8591 1 18 . 1 1 23 23 SER N N 20 110.300 110.300 114.392 -4.092 17768
8592 1 18 . 1 1 23 23 SER HA H 20 4.490 4.490 4.409 0.081 17768
8593 1 18 . 1 1 23 23 SER CA C 20 58.600 58.600 60.322 -1.722 17768
8594 1 18 . 1 1 23 23 SER H H 20 7.570 7.570 7.857 -0.287 17768
8595 1 18 . 1 1 24 24 TYR N N 21 125.300 125.300 124.513 0.787 17768
8596 1 18 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.054 0.526 17768
8597 1 18 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.013 1.687 17768
8598 1 18 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.572 -0.171 17768
8599 1 18 . 1 1 24 24 TYR H H 21 7.560 7.560 8.131 -0.571 17768
8600 1 18 . 1 1 25 25 GLN N N 22 130.000 130.000 127.370 2.630 17768
8601 1 18 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.815 0.035 17768
8602 1 18 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.855 0.945 17768
8603 1 18 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.710 0.590 17768
8604 1 18 . 1 1 25 25 GLN H H 22 8.710 8.710 8.073 0.637 17768
8605 1 18 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.140 -0.130 17768
8606 1 18 . 1 1 27 27 LEU N N 24 112.400 112.400 117.364 -4.964 17768
8607 1 18 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.123 0.087 17768
8608 1 18 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.344 -0.045 17768
8609 1 18 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.353 0.747 17768
8610 1 18 . 1 1 27 27 LEU H H 24 6.720 6.720 7.820 -1.100 17768
8611 1 18 . 1 1 28 28 MET N N 25 116.900 116.900 115.744 1.156 17768
8612 1 18 . 1 1 28 28 MET HA H 25 4.510 4.510 4.218 0.292 17768
8613 1 18 . 1 1 28 28 MET CA C 25 55.900 55.900 56.602 -0.702 17768
8614 1 18 . 1 1 28 28 MET CB C 25 29.100 29.100 31.388 -2.288 17768
8615 1 18 . 1 1 28 28 MET H H 25 7.620 7.620 7.461 0.159 17768
8616 1 18 . 1 1 29 29 GLU N N 26 116.100 116.100 117.868 -1.768 17768
8617 1 18 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.200 -0.060 17768
8618 1 18 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.905 0.495 17768
8619 1 18 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.983 0.317 17768
8620 1 18 . 1 1 29 29 GLU H H 26 8.060 8.060 8.229 -0.169 17768
8621 1 18 . 1 1 30 30 MET N N 27 115.100 115.100 116.654 -1.554 17768
8622 1 18 . 1 1 30 30 MET HA H 27 4.450 4.450 4.539 -0.089 17768
8623 1 18 . 1 1 30 30 MET CA C 27 57.000 57.000 56.799 0.201 17768
8624 1 18 . 1 1 30 30 MET CB C 27 36.500 36.500 34.901 1.599 17768
8625 1 18 . 1 1 30 30 MET H H 27 7.920 7.920 7.432 0.488 17768
8626 1 18 . 1 1 31 31 VAL N N 28 107.100 107.100 117.662 -10.562 17768
8627 1 18 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.452 0.258 17768
8628 1 18 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.396 -1.796 17768
8629 1 18 . 1 1 31 31 VAL CB C 28 36.500 36.500 35.258 1.242 17768
8630 1 18 . 1 1 31 31 VAL H H 28 7.180 7.180 7.969 -0.789 17768
8631 1 18 . 1 1 32 32 ASN N N 29 115.300 115.300 123.968 -8.668 17768
8632 1 18 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.872 -0.172 17768
8633 1 18 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.110 1.690 17768
8634 1 18 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.541 0.859 17768
8635 1 18 . 1 1 32 32 ASN H H 29 8.670 8.670 9.177 -0.507 17768
8636 1 18 . 1 1 33 33 GLN N N 30 108.900 108.900 119.906 -11.006 17768
8637 1 18 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.563 0.057 17768
8638 1 18 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.901 0.699 17768
8639 1 18 . 1 1 33 33 GLN CB C 30 30.400 30.400 27.557 2.843 17768
8640 1 18 . 1 1 33 33 GLN H H 30 7.190 7.190 8.594 -1.403 17768
8641 1 18 . 1 1 34 34 VAL N N 31 122.000 122.000 117.765 4.235 17768
8642 1 18 . 1 1 34 34 VAL HA H 31 4.910 4.910 5.175 -0.265 17768
8643 1 18 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.034 1.566 17768
8644 1 18 . 1 1 34 34 VAL CB C 31 33.800 33.800 30.831 2.969 17768
8645 1 18 . 1 1 34 34 VAL H H 31 8.860 8.860 7.530 1.330 17768
8646 1 18 . 1 1 35 35 THR N N 32 119.200 119.200 120.778 -1.578 17768
8647 1 18 . 1 1 35 35 THR HA H 32 4.900 4.900 4.787 0.113 17768
8648 1 18 . 1 1 35 35 THR CA C 32 59.100 59.100 59.576 -0.476 17768
8649 1 18 . 1 1 35 35 THR CB C 32 70.100 70.100 71.449 -1.349 17768
8650 1 18 . 1 1 35 35 THR H H 32 8.910 8.910 8.598 0.312 17768
8651 1 18 . 1 1 36 36 GLU H H 33 8.200 8.200 9.011 -0.811 17768
8652 1 18 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.534 -0.414 17768
8653 1 18 . 1 1 39 39 GLY N N 36 111.100 111.100 111.855 -0.755 17768
8654 1 18 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.434 -0.734 17768
8655 1 18 . 1 1 39 39 GLY H H 36 8.570 8.570 8.757 -0.187 17768
8656 1 18 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.646 -0.826 17768
8657 1 18 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.830 0.970 17768
8658 1 18 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.486 0.114 17768
8659 1 18 . 1 1 40 40 LYS H H 37 7.070 7.070 8.529 -1.459 17768
8660 1 18 . 1 1 41 41 ASP N N 38 116.100 116.100 117.625 -1.525 17768
8661 1 18 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.588 -0.018 17768
8662 1 18 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.414 0.086 17768
8663 1 18 . 1 1 41 41 ASP CB C 38 40.800 40.800 39.297 1.503 17768
8664 1 18 . 1 1 41 41 ASP H H 38 8.250 8.250 8.399 -0.149 17768
8665 1 18 . 1 1 42 42 ASP N N 39 123.300 123.300 119.709 3.591 17768
8666 1 18 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.558 -0.108 17768
8667 1 18 . 1 1 42 42 ASP CA C 39 53.500 53.500 51.904 1.596 17768
8668 1 18 . 1 1 42 42 ASP CB C 39 39.300 39.300 40.316 -1.016 17768
8669 1 18 . 1 1 42 42 ASP H H 39 7.070 7.070 7.518 -0.448 17768
8670 1 18 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.248 0.052 17768
8671 1 18 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.734 -0.234 17768
8672 1 18 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.240 -0.140 17768
8673 1 18 . 1 1 44 44 TYR N N 41 122.700 122.700 121.078 1.622 17768
8674 1 18 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.730 -0.130 17768
8675 1 18 . 1 1 44 44 TYR CA C 41 55.100 55.100 57.249 -2.149 17768
8676 1 18 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.146 -0.646 17768
8677 1 18 . 1 1 44 44 TYR H H 41 8.200 8.200 8.125 0.075 17768
8678 1 18 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.197 0.403 17768
8679 1 18 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.325 0.175 17768
8680 1 18 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.230 2.870 17768
8681 1 18 . 1 1 46 46 TYR N N 43 113.000 113.000 115.840 -2.840 17768
8682 1 18 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.827 0.333 17768
8683 1 18 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.956 -0.256 17768
8684 1 18 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.642 1.258 17768
8685 1 18 . 1 1 46 46 TYR H H 43 8.640 8.640 8.599 0.041 17768
8686 1 18 . 1 1 47 47 VAL N N 44 118.300 118.300 120.417 -2.117 17768
8687 1 18 . 1 1 47 47 VAL HA H 44 5.500 5.500 5.041 0.459 17768
8688 1 18 . 1 1 47 47 VAL CA C 44 60.800 60.800 61.049 -0.249 17768
8689 1 18 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.060 0.240 17768
8690 1 18 . 1 1 47 47 VAL H H 44 8.210 8.210 8.328 -0.118 17768
8691 1 18 . 1 1 48 48 VAL N N 45 127.100 127.100 120.525 6.575 17768
8692 1 18 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.160 0.350 17768
8693 1 18 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.922 0.778 17768
8694 1 18 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.241 0.059 17768
8695 1 18 . 1 1 48 48 VAL H H 45 9.960 9.960 8.650 1.310 17768
8696 1 18 . 1 1 49 49 ILE N N 46 126.500 126.500 123.132 3.368 17768
8697 1 18 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.581 -0.591 17768
8698 1 18 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.624 0.276 17768
8699 1 18 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.141 1.059 17768
8700 1 18 . 1 1 49 49 ILE H H 46 8.160 8.160 8.154 0.006 17768
8701 1 18 . 1 1 50 50 GLY N N 47 116.200 116.200 113.636 2.564 17768
8702 1 18 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.375 -0.475 17768
8703 1 18 . 1 1 50 50 GLY H H 47 8.100 8.100 8.634 -0.534 17768
8704 1 18 . 1 1 51 51 ASP N N 48 118.000 118.000 119.108 -1.108 17768
8705 1 18 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.277 -0.787 17768
8706 1 18 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.157 1.743 17768
8707 1 18 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.903 -1.403 17768
8708 1 18 . 1 1 51 51 ASP H H 48 8.150 8.150 8.330 -0.180 17768
8709 1 18 . 1 1 52 52 GLN N N 49 118.000 118.000 123.871 -5.871 17768
8710 1 18 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.607 0.303 17768
8711 1 18 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.889 -0.889 17768
8712 1 18 . 1 1 52 52 GLN CB C 49 31.100 31.100 29.511 1.589 17768
8713 1 18 . 1 1 52 52 GLN H H 49 8.400 8.400 8.586 -0.186 17768
8714 1 18 . 1 1 53 53 SER N N 50 115.900 115.900 119.410 -3.510 17768
8715 1 18 . 1 1 53 53 SER CA C 50 58.200 58.200 58.773 -0.573 17768
8716 1 18 . 1 1 53 53 SER CB C 50 64.700 64.700 64.466 0.234 17768
8717 1 18 . 1 1 53 53 SER H H 50 8.770 8.770 8.434 0.336 17768
8718 1 18 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.561 -0.261 17768
8719 1 18 . 1 1 57 57 PHE N N 54 126.200 126.200 119.994 6.206 17768
8720 1 18 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.736 0.124 17768
8721 1 18 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.139 -3.039 17768
8722 1 18 . 1 1 57 57 PHE CB C 54 40.400 40.400 42.292 -1.892 17768
8723 1 18 . 1 1 57 57 PHE H H 54 8.620 8.620 8.384 0.236 17768
8724 1 18 . 1 1 59 59 THR HA H 56 4.910 4.910 4.381 0.529 17768
8725 1 18 . 1 1 60 60 LYS N N 57 123.900 123.900 121.558 2.342 17768
8726 1 18 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.170 0.500 17768
8727 1 18 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.722 0.178 17768
8728 1 18 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.692 -0.292 17768
8729 1 18 . 1 1 60 60 LYS H H 57 8.760 8.760 8.420 0.340 17768
8730 1 18 . 1 1 61 61 SER N N 58 113.900 113.900 114.060 -0.160 17768
8731 1 18 . 1 1 61 61 SER HA H 58 4.690 4.690 4.663 0.027 17768
8732 1 18 . 1 1 61 61 SER CA C 58 55.000 55.000 57.350 -2.350 17768
8733 1 18 . 1 1 61 61 SER CB C 58 63.000 63.000 64.124 -1.124 17768
8734 1 18 . 1 1 61 61 SER H H 58 8.400 8.400 7.887 0.513 17768
8735 1 18 . 1 1 66 66 ASN N N 63 117.100 117.100 119.340 -2.240 17768
8736 1 18 . 1 1 66 66 ASN HA H 63 5.660 5.660 4.933 0.727 17768
8737 1 18 . 1 1 66 66 ASN CA C 63 53.100 53.100 53.057 0.043 17768
8738 1 18 . 1 1 66 66 ASN CB C 63 41.400 41.400 42.185 -0.785 17768
8739 1 18 . 1 1 66 66 ASN H H 63 8.260 8.260 8.045 0.215 17768
8740 1 18 . 1 1 67 67 ILE N N 64 120.300 120.300 121.908 -1.608 17768
8741 1 18 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.505 0.115 17768
8742 1 18 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.593 1.707 17768
8743 1 18 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.964 4.236 17768
8744 1 18 . 1 1 67 67 ILE H H 64 8.910 8.910 8.639 0.271 17768
8745 1 18 . 1 1 68 68 THR N N 65 124.100 124.100 119.597 4.503 17768
8746 1 18 . 1 1 68 68 THR HA H 65 5.490 5.490 4.755 0.735 17768
8747 1 18 . 1 1 68 68 THR CA C 65 61.900 61.900 60.637 1.263 17768
8748 1 18 . 1 1 68 68 THR CB C 65 70.200 70.200 70.408 -0.208 17768
8749 1 18 . 1 1 68 68 THR H H 65 8.940 8.940 8.432 0.508 17768
8750 1 18 . 1 1 69 69 MET N N 66 126.700 126.700 126.599 0.101 17768
8751 1 18 . 1 1 69 69 MET HA H 66 5.050 5.050 5.146 -0.096 17768
8752 1 18 . 1 1 69 69 MET CA C 66 55.100 55.100 54.268 0.832 17768
8753 1 18 . 1 1 69 69 MET CB C 66 38.100 38.100 37.305 0.795 17768
8754 1 18 . 1 1 69 69 MET H H 66 9.200 9.200 9.060 0.140 17768
8755 1 18 . 1 1 70 70 ASP N N 67 123.500 123.500 119.971 3.529 17768
8756 1 18 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.310 0.100 17768
8757 1 18 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.423 0.577 17768
8758 1 18 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.750 -1.250 17768
8759 1 18 . 1 1 70 70 ASP H H 67 7.720 7.720 8.255 -0.535 17768
8760 1 18 . 1 1 71 71 PHE N N 68 116.900 116.900 115.011 1.889 17768
8761 1 18 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.404 -0.574 17768
8762 1 18 . 1 1 71 71 PHE CA C 68 57.000 57.000 54.998 2.002 17768
8763 1 18 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.559 1.442 17768
8764 1 18 . 1 1 71 71 PHE H H 68 9.130 9.130 8.827 0.303 17768
8765 1 18 . 1 1 72 72 HIS N N 69 120.400 120.400 120.229 0.171 17768
8766 1 18 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.605 0.825 17768
8767 1 18 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.553 0.647 17768
8768 1 18 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.422 3.678 17768
8769 1 18 . 1 1 72 72 HIS H H 69 9.350 9.350 9.431 -0.081 17768
8770 1 18 . 1 1 73 73 VAL N N 70 124.900 124.900 124.023 0.877 17768
8771 1 18 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.253 0.187 17768
8772 1 18 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.738 0.262 17768
8773 1 18 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.859 1.441 17768
8774 1 18 . 1 1 73 73 VAL H H 70 9.610 9.610 8.244 1.366 17768
8775 1 18 . 1 1 74 74 TRP N N 71 129.500 129.500 126.654 2.846 17768
8776 1 18 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.036 -0.096 17768
8777 1 18 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.163 0.637 17768
8778 1 18 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.397 -2.397 17768
8779 1 18 . 1 1 74 74 TRP H H 71 8.790 8.790 9.126 -0.336 17768
8780 1 18 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.574 -0.174 17768
8781 1 18 . 1 1 76 76 GLY N N 73 105.500 105.500 107.123 -1.623 17768
8782 1 18 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.530 -0.730 17768
8783 1 18 . 1 1 76 76 GLY H H 73 8.710 8.710 8.535 0.175 17768
8784 1 18 . 1 1 77 77 THR N N 74 114.200 114.200 115.249 -1.049 17768
8785 1 18 . 1 1 77 77 THR HA H 74 4.460 4.460 4.458 0.002 17768
8786 1 18 . 1 1 77 77 THR CA C 74 62.700 62.700 62.323 0.377 17768
8787 1 18 . 1 1 77 77 THR CB C 74 70.000 70.000 69.670 0.330 17768
8788 1 18 . 1 1 77 77 THR H H 74 9.010 9.010 8.144 0.866 17768
8789 1 18 . 1 1 78 78 THR N N 75 110.800 110.800 114.887 -4.087 17768
8790 1 18 . 1 1 78 78 THR CA C 75 59.100 59.100 61.506 -2.406 17768
8791 1 18 . 1 1 78 78 THR H H 75 7.960 7.960 7.802 0.158 17768
8792 1 18 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.791 0.509 17768
8793 1 18 . 1 1 79 79 ARG CB C 76 29.600 29.600 30.332 -0.732 17768
8794 1 18 . 1 1 80 80 ALA N N 77 120.500 120.500 120.596 -0.096 17768
8795 1 18 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.241 -0.221 17768
8796 1 18 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.395 1.005 17768
8797 1 18 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.075 0.625 17768
8798 1 18 . 1 1 80 80 ALA H H 77 8.290 8.290 8.239 0.051 17768
8799 1 18 . 1 1 81 81 GLU N N 78 118.800 118.800 119.945 -1.145 17768
8800 1 18 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.043 -0.003 17768
8801 1 18 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.943 0.757 17768
8802 1 18 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.011 1.489 17768
8803 1 18 . 1 1 81 81 GLU H H 78 7.930 7.930 8.716 -0.786 17768
8804 1 18 . 1 1 82 82 ALA N N 79 119.700 119.700 121.293 -1.593 17768
8805 1 18 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.085 -0.205 17768
8806 1 18 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.312 0.188 17768
8807 1 18 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.422 -0.022 17768
8808 1 18 . 1 1 82 82 ALA H H 79 7.470 7.470 7.752 -0.282 17768
8809 1 18 . 1 1 83 83 GLN N N 80 120.700 120.700 118.165 2.535 17768
8810 1 18 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.118 -0.288 17768
8811 1 18 . 1 1 83 83 GLN CA C 80 59.200 59.200 57.939 1.261 17768
8812 1 18 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.570 0.130 17768
8813 1 18 . 1 1 83 83 GLN H H 80 8.690 8.690 7.843 0.847 17768
8814 1 18 . 1 1 84 84 ASP N N 81 123.100 123.100 121.476 1.624 17768
8815 1 18 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.396 -0.026 17768
8816 1 18 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.676 0.824 17768
8817 1 18 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.760 -0.460 17768
8818 1 18 . 1 1 84 84 ASP H H 81 8.480 8.480 8.104 0.376 17768
8819 1 18 . 1 1 85 85 ILE N N 82 119.300 119.300 116.183 3.117 17768
8820 1 18 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.834 -0.294 17768
8821 1 18 . 1 1 85 85 ILE CA C 82 66.700 66.700 64.866 1.834 17768
8822 1 18 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.530 0.970 17768
8823 1 18 . 1 1 85 85 ILE H H 82 8.340 8.340 8.272 0.068 17768
8824 1 18 . 1 1 86 86 SER N N 83 114.800 114.800 116.716 -1.916 17768
8825 1 18 . 1 1 86 86 SER HA H 83 4.560 4.560 4.035 0.525 17768
8826 1 18 . 1 1 86 86 SER CA C 83 63.500 63.500 62.107 1.393 17768
8827 1 18 . 1 1 86 86 SER H H 83 7.880 7.880 7.817 0.063 17768
8828 1 18 . 1 1 87 87 SER N N 84 117.400 117.400 117.464 -0.064 17768
8829 1 18 . 1 1 87 87 SER HA H 84 4.400 4.400 4.196 0.204 17768
8830 1 18 . 1 1 87 87 SER CA C 84 58.100 58.100 61.657 -3.557 17768
8831 1 18 . 1 1 87 87 SER H H 84 8.320 8.320 8.487 -0.167 17768
8832 1 18 . 1 1 88 88 ARG N N 85 121.100 121.100 121.338 -0.238 17768
8833 1 18 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.258 -0.168 17768
8834 1 18 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.183 0.517 17768
8835 1 18 . 1 1 88 88 ARG H H 85 7.780 7.780 8.471 -0.691 17768
8836 1 18 . 1 1 89 89 VAL N N 86 121.200 121.200 121.502 -0.302 17768
8837 1 18 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.749 -0.389 17768
8838 1 18 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.093 1.407 17768
8839 1 18 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.468 -0.468 17768
8840 1 18 . 1 1 89 89 VAL H H 86 8.190 8.190 8.106 0.084 17768
8841 1 18 . 1 1 90 90 LEU N N 87 117.500 117.500 121.012 -3.512 17768
8842 1 18 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.882 -0.192 17768
8843 1 18 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.474 -0.174 17768
8844 1 18 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.932 0.368 17768
8845 1 18 . 1 1 90 90 LEU H H 87 7.330 7.330 7.884 -0.554 17768
8846 1 18 . 1 1 91 91 GLU N N 88 118.500 118.500 119.569 -1.069 17768
8847 1 18 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.871 -0.251 17768
8848 1 18 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.201 -0.101 17768
8849 1 18 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.524 1.076 17768
8850 1 18 . 1 1 91 91 GLU H H 88 7.810 7.810 8.288 -0.478 17768
8851 1 18 . 1 1 92 92 ALA N N 89 121.800 121.800 121.638 0.162 17768
8852 1 18 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.775 -0.715 17768
8853 1 18 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.831 -0.431 17768
8854 1 18 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.595 1.605 17768
8855 1 18 . 1 1 92 92 ALA H H 89 7.820 7.820 7.646 0.174 17768
8856 1 18 . 1 1 93 93 LEU N N 90 113.600 113.600 117.872 -4.272 17768
8857 1 18 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.117 -0.097 17768
8858 1 18 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.915 -0.715 17768
8859 1 18 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.953 1.747 17768
8860 1 18 . 1 1 93 93 LEU H H 90 7.570 7.570 8.418 -0.848 17768
8861 1 18 . 1 1 94 94 THR N N 91 102.400 102.400 108.633 -6.233 17768
8862 1 18 . 1 1 94 94 THR HA H 91 4.510 4.510 4.684 -0.173 17768
8863 1 18 . 1 1 94 94 THR CA C 91 61.500 61.500 61.986 -0.486 17768
8864 1 18 . 1 1 94 94 THR CB C 91 71.300 71.300 68.832 2.468 17768
8865 1 18 . 1 1 94 94 THR H H 91 7.280 7.280 7.522 -0.242 17768
8866 1 18 . 1 1 95 95 TYR N N 92 123.600 123.600 122.349 1.251 17768
8867 1 18 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.393 -0.063 17768
8868 1 18 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.259 0.441 17768
8869 1 18 . 1 1 95 95 TYR CB C 92 37.600 37.600 38.959 -1.359 17768
8870 1 18 . 1 1 95 95 TYR H H 92 7.900 7.900 7.375 0.525 17768
8871 1 18 . 1 1 96 96 LYS N N 93 117.500 117.500 120.530 -3.030 17768
8872 1 18 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.540 0.010 17768
8873 1 18 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.468 1.232 17768
8874 1 18 . 1 1 96 96 LYS CB C 93 33.500 33.500 34.048 -0.548 17768
8875 1 18 . 1 1 96 96 LYS H H 93 7.000 7.000 7.572 -0.572 17768
8876 1 18 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.530 -0.160 17768
8877 1 18 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.270 1.329 17768
8878 1 18 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.724 -0.024 17768
8879 1 18 . 1 1 98 98 LEU N N 95 125.400 125.400 122.226 3.174 17768
8880 1 18 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.627 -0.007 17768
8881 1 18 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.465 -0.666 17768
8882 1 18 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.159 3.441 17768
8883 1 18 . 1 1 98 98 LEU H H 95 8.380 8.380 8.665 -0.285 17768
8884 1 18 . 1 1 99 99 MET N N 96 123.100 123.100 122.471 0.629 17768
8885 1 18 . 1 1 99 99 MET HA H 96 5.480 5.480 4.776 0.704 17768
8886 1 18 . 1 1 99 99 MET CA C 96 55.200 55.200 54.705 0.495 17768
8887 1 18 . 1 1 99 99 MET CB C 96 37.200 37.200 37.240 -0.040 17768
8888 1 18 . 1 1 99 99 MET H H 96 8.480 8.480 8.159 0.321 17768
8889 1 18 . 1 1 100 100 PHE N N 97 122.900 122.900 125.144 -2.244 17768
8890 1 18 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.980 -0.590 17768
8891 1 18 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.331 2.969 17768
8892 1 18 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.240 1.860 17768
8893 1 18 . 1 1 100 100 PHE H H 97 8.640 8.640 9.046 -0.406 17768
8894 1 18 . 1 1 101 101 GLU N N 98 125.300 125.300 124.969 0.331 17768
8895 1 18 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.668 -0.238 17768
8896 1 18 . 1 1 101 101 GLU CA C 98 58.200 58.200 58.478 -0.278 17768
8897 1 18 . 1 1 101 101 GLU CB C 98 28.400 28.400 28.223 0.177 17768
8898 1 18 . 1 1 101 101 GLU H H 98 8.640 8.640 8.731 -0.091 17768
8899 1 18 . 1 1 102 102 GLY N N 99 107.100 107.100 107.093 0.007 17768
8900 1 18 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.856 0.844 17768
8901 1 18 . 1 1 102 102 GLY H H 99 8.250 8.250 7.978 0.272 17768
8902 1 18 . 1 1 103 103 PHE N N 100 120.200 120.200 122.255 -2.055 17768
8903 1 18 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.740 -0.010 17768
8904 1 18 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.144 1.756 17768
8905 1 18 . 1 1 103 103 PHE CB C 100 43.000 43.000 41.483 1.517 17768
8906 1 18 . 1 1 103 103 PHE H H 100 8.310 8.310 8.160 0.150 17768
8907 1 18 . 1 1 104 104 THR N N 101 116.100 116.100 122.792 -6.692 17768
8908 1 18 . 1 1 104 104 THR HA H 101 4.970 4.970 4.117 0.853 17768
8909 1 18 . 1 1 104 104 THR CA C 101 61.900 61.900 60.870 1.030 17768
8910 1 18 . 1 1 104 104 THR CB C 101 71.400 71.400 70.937 0.463 17768
8911 1 18 . 1 1 104 104 THR H H 101 8.250 8.250 8.148 0.102 17768
8912 1 18 . 1 1 105 105 PHE N N 102 123.200 123.200 122.701 0.499 17768
8913 1 18 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.928 0.682 17768
8914 1 18 . 1 1 105 105 PHE CA C 102 55.600 55.600 55.474 0.126 17768
8915 1 18 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.142 1.458 17768
8916 1 18 . 1 1 105 105 PHE H H 102 8.840 8.840 7.595 1.246 17768
8917 1 18 . 1 1 106 106 VAL N N 103 120.000 120.000 122.555 -2.555 17768
8918 1 18 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.420 0.080 17768
8919 1 18 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.159 0.041 17768
8920 1 18 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.188 1.012 17768
8921 1 18 . 1 1 106 106 VAL H H 103 8.460 8.460 8.840 -0.380 17768
8922 1 18 . 1 1 107 107 ALA N N 104 130.400 130.400 130.613 -0.213 17768
8923 1 18 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.577 -0.737 17768
8924 1 18 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.253 1.147 17768
8925 1 18 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.821 -2.021 17768
8926 1 18 . 1 1 107 107 ALA H H 104 9.210 9.210 8.520 0.690 17768
8927 1 18 . 1 1 108 108 LYS N N 105 127.100 127.100 124.266 2.834 17768
8928 1 18 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.252 -0.022 17768
8929 1 18 . 1 1 108 108 LYS CA C 105 56.200 56.200 56.527 -0.327 17768
8930 1 18 . 1 1 108 108 LYS H H 105 8.670 8.670 8.445 0.225 17768
8931 1 18 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.199 0.301 17768
8932 1 18 . 1 1 115 115 VAL CA C 112 62.200 62.200 62.055 0.145 17768
8933 1 18 . 1 1 115 115 VAL CB C 112 33.500 33.500 33.176 0.324 17768
8934 1 18 . 1 1 116 116 ILE N N 113 125.200 125.200 127.084 -1.884 17768
8935 1 18 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.453 0.067 17768
8936 1 18 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.517 0.383 17768
8937 1 18 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.752 1.948 17768
8938 1 18 . 1 1 116 116 ILE H H 113 8.760 8.760 8.245 0.515 17768
8939 1 18 . 1 1 117 117 THR N N 114 119.000 119.000 119.104 -0.104 17768
8940 1 18 . 1 1 117 117 THR HA H 114 4.560 4.560 4.519 0.041 17768
8941 1 18 . 1 1 117 117 THR CA C 114 62.300 62.300 61.803 0.497 17768
8942 1 18 . 1 1 117 117 THR CB C 114 69.400 69.400 70.325 -0.925 17768
8943 1 18 . 1 1 117 117 THR H H 114 8.380 8.380 8.359 0.021 17768
8944 1 18 . 1 1 118 118 ASP N N 115 126.200 126.200 125.673 0.527 17768
8945 1 18 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.923 -0.273 17768
8946 1 18 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.880 0.620 17768
8947 1 18 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.749 0.551 17768
8948 1 18 . 1 1 118 118 ASP H H 115 8.920 8.920 8.709 0.211 17768
8949 1 18 . 1 1 119 119 THR HA H 116 3.990 3.990 4.133 -0.143 17768
8950 1 18 . 1 1 119 119 THR CA C 116 64.800 64.800 64.335 0.465 17768
8951 1 18 . 1 1 119 119 THR CB C 116 69.200 69.200 68.955 0.245 17768
8952 1 18 . 1 1 120 120 ASP N N 117 120.500 120.500 120.784 -0.284 17768
8953 1 18 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.149 0.651 17768
8954 1 18 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.830 -1.130 17768
8955 1 18 . 1 1 120 120 ASP H H 117 8.360 8.360 8.155 0.205 17768
8956 1 18 . 1 1 121 121 GLY N N 118 108.600 108.600 109.110 -0.510 17768
8957 1 18 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.220 0.580 17768
8958 1 18 . 1 1 121 121 GLY H H 118 8.310 8.310 7.701 0.609 17768
8959 1 18 . 1 1 122 122 VAL N N 119 118.600 118.600 118.411 0.189 17768
8960 1 18 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.161 0.039 17768
8961 1 18 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.981 2.219 17768
8962 1 18 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.032 2.967 17768
8963 1 18 . 1 1 122 122 VAL H H 119 8.500 8.500 7.494 1.006 17768
8964 1 18 . 1 1 123 123 THR N N 120 123.300 123.300 118.919 4.381 17768
8965 1 18 . 1 1 123 123 THR HA H 120 4.030 4.030 4.166 -0.136 17768
8966 1 18 . 1 1 123 123 THR CA C 120 64.800 64.800 62.218 2.582 17768
8967 1 18 . 1 1 123 123 THR CB C 120 68.400 68.400 69.231 -0.831 17768
8968 1 18 . 1 1 123 123 THR H H 120 9.700 9.700 8.211 1.489 17768
8969 1 18 . 1 1 124 124 LYS N N 121 125.500 125.500 126.898 -1.398 17768
8970 1 18 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.219 0.331 17768
8971 1 18 . 1 1 124 124 LYS CA C 121 54.300 54.300 54.641 -0.341 17768
8972 1 18 . 1 1 124 124 LYS H H 121 8.650 8.650 8.453 0.197 17768
8973 1 18 . 1 1 125 125 HIS N N 122 121.400 121.400 120.133 1.267 17768
8974 1 18 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.152 -0.072 17768
8975 1 18 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.737 -2.137 17768
8976 1 18 . 1 1 125 125 HIS CB C 122 31.600 31.600 30.655 0.945 17768
8977 1 18 . 1 1 125 125 HIS H H 122 8.580 8.580 8.080 0.500 17768
8978 1 18 . 1 1 126 126 GLY N N 123 114.000 114.000 112.500 1.500 17768
8979 1 18 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.422 -0.222 17768
8980 1 18 . 1 1 126 126 GLY H H 123 10.010 10.010 8.423 1.587 17768
8981 1 18 . 1 1 127 127 ILE N N 124 124.000 124.000 126.400 -2.400 17768
8982 1 18 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.263 0.217 17768
8983 1 18 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.318 1.382 17768
8984 1 18 . 1 1 127 127 ILE CB C 124 41.100 41.100 38.467 2.633 17768
8985 1 18 . 1 1 127 127 ILE H H 124 8.740 8.740 8.495 0.245 17768
8986 1 18 . 1 1 128 128 ILE N N 125 126.200 126.200 131.304 -5.104 17768
8987 1 18 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.318 0.462 17768
8988 1 18 . 1 1 128 128 ILE CA C 125 60.100 60.100 59.233 0.867 17768
8989 1 18 . 1 1 128 128 ILE CB C 125 41.800 41.800 37.498 4.302 17768
8990 1 18 . 1 1 128 128 ILE H H 125 8.640 8.640 8.736 -0.096 17768
8991 1 18 . 1 1 129 129 LYS N N 126 126.300 126.300 128.659 -2.359 17768
8992 1 18 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.860 0.550 17768
8993 1 18 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.439 1.161 17768
8994 1 18 . 1 1 129 129 LYS CB C 126 36.100 36.100 35.422 0.678 17768
8995 1 18 . 1 1 129 129 LYS H H 126 8.990 8.990 8.525 0.465 17768
8996 1 18 . 1 1 130 130 VAL N N 127 126.300 126.300 124.063 2.237 17768
8997 1 18 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.222 0.338 17768
8998 1 18 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.969 1.131 17768
8999 1 18 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.915 0.085 17768
9000 1 18 . 1 1 130 130 VAL H H 127 8.880 8.880 8.653 0.227 17768
9001 1 18 . 1 1 131 131 ARG N N 128 126.600 126.600 125.290 1.310 17768
9002 1 18 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.075 -0.115 17768
9003 1 18 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.589 1.011 17768
9004 1 18 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.728 -0.128 17768
9005 1 18 . 1 1 131 131 ARG H H 128 8.720 8.720 8.379 0.341 17768
9006 1 18 . 1 1 132 132 PHE N N 129 125.700 125.700 125.088 0.612 17768
9007 1 18 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.455 0.155 17768
9008 1 18 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.908 0.692 17768
9009 1 18 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.528 -0.128 17768
9010 1 18 . 1 1 132 132 PHE H H 129 9.720 9.720 9.217 0.503 17768
9011 1 18 . 1 1 133 133 THR N N 130 114.700 114.700 117.707 -3.007 17768
9012 1 18 . 1 1 133 133 THR HA H 130 5.070 5.070 4.861 0.209 17768
9013 1 18 . 1 1 133 133 THR CA C 130 61.800 61.800 61.656 0.144 17768
9014 1 18 . 1 1 133 133 THR CB C 130 71.100 71.100 71.493 -0.394 17768
9015 1 18 . 1 1 133 133 THR H H 130 9.100 9.100 9.302 -0.202 17768
9016 1 18 . 1 1 134 134 ILE N N 131 123.000 123.000 120.669 2.331 17768
9017 1 18 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.532 1.868 17768
9018 1 18 . 1 1 134 134 ILE H H 131 8.400 8.400 8.305 0.095 17768
9019 1 19 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.457 -0.217 17768
9020 1 19 . 1 1 6 6 TRP CB C 3 29.900 29.900 26.994 2.906 17768
9021 1 19 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.237 0.563 17768
9022 1 19 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.138 -1.438 17768
9023 1 19 . 1 1 9 9 ALA N N 6 122.500 122.500 121.598 0.902 17768
9024 1 19 . 1 1 9 9 ALA HA H 6 2.980 2.980 3.912 -0.932 17768
9025 1 19 . 1 1 9 9 ALA CA C 6 54.700 54.700 54.929 -0.229 17768
9026 1 19 . 1 1 9 9 ALA CB C 6 18.800 18.800 18.052 0.748 17768
9027 1 19 . 1 1 9 9 ALA H H 6 8.150 8.150 8.356 -0.206 17768
9028 1 19 . 1 1 10 10 SER N N 7 112.300 112.300 114.486 -2.186 17768
9029 1 19 . 1 1 10 10 SER HA H 7 3.660 3.660 4.351 -0.691 17768
9030 1 19 . 1 1 10 10 SER CA C 7 62.300 62.300 61.973 0.327 17768
9031 1 19 . 1 1 10 10 SER H H 7 7.910 7.910 7.874 0.036 17768
9032 1 19 . 1 1 11 11 ARG N N 8 122.300 122.300 121.366 0.934 17768
9033 1 19 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.079 -0.129 17768
9034 1 19 . 1 1 11 11 ARG CA C 8 58.600 58.600 58.109 0.491 17768
9035 1 19 . 1 1 11 11 ARG CB C 8 29.800 29.800 30.100 -0.300 17768
9036 1 19 . 1 1 11 11 ARG H H 8 7.390 7.390 7.683 -0.293 17768
9037 1 19 . 1 1 12 12 ALA N N 9 121.500 121.500 123.309 -1.809 17768
9038 1 19 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.711 0.159 17768
9039 1 19 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.391 0.609 17768
9040 1 19 . 1 1 12 12 ALA CB C 9 19.200 19.200 16.841 2.359 17768
9041 1 19 . 1 1 12 12 ALA H H 9 7.720 7.720 7.902 -0.182 17768
9042 1 19 . 1 1 13 13 LEU N N 10 119.000 119.000 118.357 0.643 17768
9043 1 19 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.816 -0.906 17768
9044 1 19 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.585 0.015 17768
9045 1 19 . 1 1 13 13 LEU CB C 10 40.000 40.000 39.062 0.938 17768
9046 1 19 . 1 1 13 13 LEU H H 10 7.940 7.940 7.314 0.626 17768
9047 1 19 . 1 1 14 14 GLN N N 11 119.300 119.300 119.399 -0.099 17768
9048 1 19 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.846 -0.496 17768
9049 1 19 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.497 2.203 17768
9050 1 19 . 1 1 14 14 GLN CB C 11 28.000 28.000 27.926 0.074 17768
9051 1 19 . 1 1 14 14 GLN H H 11 7.390 7.390 8.177 -0.787 17768
9052 1 19 . 1 1 15 15 LYS N N 12 116.200 116.200 120.211 -4.011 17768
9053 1 19 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.044 -0.424 17768
9054 1 19 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.896 -0.596 17768
9055 1 19 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.098 -0.298 17768
9056 1 19 . 1 1 15 15 LYS H H 12 7.470 7.470 7.383 0.087 17768
9057 1 19 . 1 1 16 16 ALA N N 13 121.700 121.700 121.443 0.257 17768
9058 1 19 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.269 -0.099 17768
9059 1 19 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.048 0.352 17768
9060 1 19 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.516 1.084 17768
9061 1 19 . 1 1 16 16 ALA H H 13 8.560 8.560 8.008 0.552 17768
9062 1 19 . 1 1 17 17 THR N N 14 108.700 108.700 117.109 -8.409 17768
9063 1 19 . 1 1 17 17 THR HA H 14 3.650 3.650 4.056 -0.406 17768
9064 1 19 . 1 1 17 17 THR CA C 14 66.500 66.500 67.001 -0.501 17768
9065 1 19 . 1 1 17 17 THR CB C 14 69.300 69.300 68.667 0.633 17768
9066 1 19 . 1 1 17 17 THR H H 14 8.210 8.210 7.736 0.474 17768
9067 1 19 . 1 1 18 18 VAL N N 15 122.600 122.600 121.533 1.067 17768
9068 1 19 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.722 -0.322 17768
9069 1 19 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.381 2.019 17768
9070 1 19 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.695 -0.195 17768
9071 1 19 . 1 1 18 18 VAL H H 15 7.570 7.570 8.759 -1.189 17768
9072 1 19 . 1 1 19 19 GLU N N 16 117.400 117.400 120.261 -2.861 17768
9073 1 19 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.019 0.151 17768
9074 1 19 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.862 -0.162 17768
9075 1 19 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.629 -0.429 17768
9076 1 19 . 1 1 19 19 GLU H H 16 7.560 7.560 8.245 -0.685 17768
9077 1 19 . 1 1 20 20 ASN N N 17 120.900 120.900 119.063 1.837 17768
9078 1 19 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.637 -0.407 17768
9079 1 19 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.220 0.980 17768
9080 1 19 . 1 1 20 20 ASN CB C 17 37.900 37.900 37.711 0.189 17768
9081 1 19 . 1 1 20 20 ASN H H 17 8.150 8.150 8.037 0.113 17768
9082 1 19 . 1 1 21 21 LEU N N 18 119.500 119.500 119.608 -0.108 17768
9083 1 19 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.137 -0.217 17768
9084 1 19 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.528 2.572 17768
9085 1 19 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.788 0.812 17768
9086 1 19 . 1 1 21 21 LEU H H 18 8.500 8.500 8.101 0.399 17768
9087 1 19 . 1 1 22 22 GLU N N 19 112.100 112.100 116.964 -4.864 17768
9088 1 19 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.182 0.418 17768
9089 1 19 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.050 0.650 17768
9090 1 19 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.996 0.204 17768
9091 1 19 . 1 1 22 22 GLU H H 19 8.450 8.450 8.034 0.416 17768
9092 1 19 . 1 1 23 23 SER N N 20 110.300 110.300 114.576 -4.276 17768
9093 1 19 . 1 1 23 23 SER HA H 20 4.490 4.490 4.502 -0.012 17768
9094 1 19 . 1 1 23 23 SER CA C 20 58.600 58.600 60.229 -1.629 17768
9095 1 19 . 1 1 23 23 SER H H 20 7.570 7.570 8.000 -0.430 17768
9096 1 19 . 1 1 24 24 TYR N N 21 125.300 125.300 125.627 -0.327 17768
9097 1 19 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.882 0.698 17768
9098 1 19 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.622 2.078 17768
9099 1 19 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.521 -0.121 17768
9100 1 19 . 1 1 24 24 TYR H H 21 7.560 7.560 8.098 -0.538 17768
9101 1 19 . 1 1 25 25 GLN N N 22 130.000 130.000 128.120 1.880 17768
9102 1 19 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.834 0.016 17768
9103 1 19 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.377 1.423 17768
9104 1 19 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.933 0.367 17768
9105 1 19 . 1 1 25 25 GLN H H 22 8.710 8.710 8.247 0.463 17768
9106 1 19 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.136 -0.126 17768
9107 1 19 . 1 1 27 27 LEU N N 24 112.400 112.400 118.472 -6.072 17768
9108 1 19 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.112 0.098 17768
9109 1 19 . 1 1 27 27 LEU CA C 24 57.300 57.300 56.483 0.817 17768
9110 1 19 . 1 1 27 27 LEU CB C 24 43.100 43.100 42.145 0.955 17768
9111 1 19 . 1 1 27 27 LEU H H 24 6.720 6.720 7.678 -0.958 17768
9112 1 19 . 1 1 28 28 MET N N 25 116.900 116.900 115.580 1.320 17768
9113 1 19 . 1 1 28 28 MET HA H 25 4.510 4.510 4.137 0.373 17768
9114 1 19 . 1 1 28 28 MET CA C 25 55.900 55.900 58.603 -2.703 17768
9115 1 19 . 1 1 28 28 MET CB C 25 29.100 29.100 32.727 -3.627 17768
9116 1 19 . 1 1 28 28 MET H H 25 7.620 7.620 7.300 0.320 17768
9117 1 19 . 1 1 29 29 GLU N N 26 116.100 116.100 116.781 -0.681 17768
9118 1 19 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.178 -0.038 17768
9119 1 19 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.602 0.798 17768
9120 1 19 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.558 0.741 17768
9121 1 19 . 1 1 29 29 GLU H H 26 8.060 8.060 7.872 0.188 17768
9122 1 19 . 1 1 30 30 MET N N 27 115.100 115.100 116.304 -1.204 17768
9123 1 19 . 1 1 30 30 MET HA H 27 4.450 4.450 4.563 -0.113 17768
9124 1 19 . 1 1 30 30 MET CA C 27 57.000 57.000 55.352 1.648 17768
9125 1 19 . 1 1 30 30 MET CB C 27 36.500 36.500 34.429 2.071 17768
9126 1 19 . 1 1 30 30 MET H H 27 7.920 7.920 7.618 0.302 17768
9127 1 19 . 1 1 31 31 VAL N N 28 107.100 107.100 112.962 -5.862 17768
9128 1 19 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.482 0.228 17768
9129 1 19 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.302 -1.702 17768
9130 1 19 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.625 1.875 17768
9131 1 19 . 1 1 31 31 VAL H H 28 7.180 7.180 7.806 -0.626 17768
9132 1 19 . 1 1 32 32 ASN N N 29 115.300 115.300 120.621 -5.321 17768
9133 1 19 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.875 -0.175 17768
9134 1 19 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.772 2.028 17768
9135 1 19 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.929 0.471 17768
9136 1 19 . 1 1 32 32 ASN H H 29 8.670 8.670 8.654 0.016 17768
9137 1 19 . 1 1 33 33 GLN N N 30 108.900 108.900 118.589 -9.689 17768
9138 1 19 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.633 -0.013 17768
9139 1 19 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.137 0.463 17768
9140 1 19 . 1 1 33 33 GLN CB C 30 30.400 30.400 30.260 0.140 17768
9141 1 19 . 1 1 33 33 GLN H H 30 7.190 7.190 8.188 -0.998 17768
9142 1 19 . 1 1 34 34 VAL N N 31 122.000 122.000 122.076 -0.076 17768
9143 1 19 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.821 0.089 17768
9144 1 19 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.400 1.200 17768
9145 1 19 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.920 1.880 17768
9146 1 19 . 1 1 34 34 VAL H H 31 8.860 8.860 7.920 0.940 17768
9147 1 19 . 1 1 35 35 THR N N 32 119.200 119.200 123.093 -3.893 17768
9148 1 19 . 1 1 35 35 THR HA H 32 4.900 4.900 4.681 0.219 17768
9149 1 19 . 1 1 35 35 THR CA C 32 59.100 59.100 60.245 -1.145 17768
9150 1 19 . 1 1 35 35 THR CB C 32 70.100 70.100 70.923 -0.823 17768
9151 1 19 . 1 1 35 35 THR H H 32 8.910 8.910 8.931 -0.021 17768
9152 1 19 . 1 1 36 36 GLU H H 33 8.200 8.200 8.862 -0.662 17768
9153 1 19 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.477 -0.357 17768
9154 1 19 . 1 1 39 39 GLY N N 36 111.100 111.100 110.232 0.868 17768
9155 1 19 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.619 -0.919 17768
9156 1 19 . 1 1 39 39 GLY H H 36 8.570 8.570 8.173 0.397 17768
9157 1 19 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.428 -0.608 17768
9158 1 19 . 1 1 40 40 LYS CA C 37 58.800 58.800 57.773 1.026 17768
9159 1 19 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.281 0.319 17768
9160 1 19 . 1 1 40 40 LYS H H 37 7.070 7.070 8.345 -1.275 17768
9161 1 19 . 1 1 41 41 ASP N N 38 116.100 116.100 120.155 -4.055 17768
9162 1 19 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.697 -0.127 17768
9163 1 19 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.650 -0.150 17768
9164 1 19 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.954 -0.154 17768
9165 1 19 . 1 1 41 41 ASP H H 38 8.250 8.250 8.532 -0.282 17768
9166 1 19 . 1 1 42 42 ASP N N 39 123.300 123.300 121.130 2.170 17768
9167 1 19 . 1 1 42 42 ASP HA H 39 4.450 4.450 5.002 -0.552 17768
9168 1 19 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.472 1.028 17768
9169 1 19 . 1 1 42 42 ASP CB C 39 39.300 39.300 42.134 -2.834 17768
9170 1 19 . 1 1 42 42 ASP H H 39 7.070 7.070 7.694 -0.624 17768
9171 1 19 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.097 0.203 17768
9172 1 19 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.352 0.148 17768
9173 1 19 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.310 -0.210 17768
9174 1 19 . 1 1 44 44 TYR N N 41 122.700 122.700 117.259 5.441 17768
9175 1 19 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.125 0.475 17768
9176 1 19 . 1 1 44 44 TYR CA C 41 55.100 55.100 54.700 0.400 17768
9177 1 19 . 1 1 44 44 TYR CB C 41 37.500 37.500 37.057 0.443 17768
9178 1 19 . 1 1 44 44 TYR H H 41 8.200 8.200 8.129 0.071 17768
9179 1 19 . 1 1 45 45 PRO HA H 42 5.600 5.600 4.938 0.662 17768
9180 1 19 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.833 -0.333 17768
9181 1 19 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.499 2.601 17768
9182 1 19 . 1 1 46 46 TYR N N 43 113.000 113.000 116.544 -3.544 17768
9183 1 19 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.815 0.345 17768
9184 1 19 . 1 1 46 46 TYR CA C 43 57.700 57.700 55.906 1.794 17768
9185 1 19 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.386 1.514 17768
9186 1 19 . 1 1 46 46 TYR H H 43 8.640 8.640 8.979 -0.339 17768
9187 1 19 . 1 1 47 47 VAL N N 44 118.300 118.300 120.164 -1.864 17768
9188 1 19 . 1 1 47 47 VAL HA H 44 5.500 5.500 5.048 0.452 17768
9189 1 19 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.639 0.161 17768
9190 1 19 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.327 -0.027 17768
9191 1 19 . 1 1 47 47 VAL H H 44 8.210 8.210 8.143 0.067 17768
9192 1 19 . 1 1 48 48 VAL N N 45 127.100 127.100 123.225 3.875 17768
9193 1 19 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.432 0.078 17768
9194 1 19 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.267 1.433 17768
9195 1 19 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.385 -0.085 17768
9196 1 19 . 1 1 48 48 VAL H H 45 9.960 9.960 8.620 1.340 17768
9197 1 19 . 1 1 49 49 ILE N N 46 126.500 126.500 123.863 2.637 17768
9198 1 19 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.179 -0.189 17768
9199 1 19 . 1 1 49 49 ILE CA C 46 60.900 60.900 61.369 -0.469 17768
9200 1 19 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.171 0.029 17768
9201 1 19 . 1 1 49 49 ILE H H 46 8.160 8.160 7.857 0.303 17768
9202 1 19 . 1 1 50 50 GLY N N 47 116.200 116.200 115.419 0.781 17768
9203 1 19 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.214 -0.314 17768
9204 1 19 . 1 1 50 50 GLY H H 47 8.100 8.100 8.058 0.042 17768
9205 1 19 . 1 1 51 51 ASP N N 48 118.000 118.000 118.801 -0.801 17768
9206 1 19 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.242 -0.752 17768
9207 1 19 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.091 1.809 17768
9208 1 19 . 1 1 51 51 ASP CB C 48 42.500 42.500 44.049 -1.549 17768
9209 1 19 . 1 1 51 51 ASP H H 48 8.150 8.150 8.282 -0.132 17768
9210 1 19 . 1 1 52 52 GLN N N 49 118.000 118.000 126.173 -8.173 17768
9211 1 19 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.509 0.401 17768
9212 1 19 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.959 -0.959 17768
9213 1 19 . 1 1 52 52 GLN CB C 49 31.100 31.100 29.707 1.393 17768
9214 1 19 . 1 1 52 52 GLN H H 49 8.400 8.400 8.394 0.006 17768
9215 1 19 . 1 1 53 53 SER N N 50 115.900 115.900 118.897 -2.997 17768
9216 1 19 . 1 1 53 53 SER CA C 50 58.200 58.200 59.795 -1.595 17768
9217 1 19 . 1 1 53 53 SER CB C 50 64.700 64.700 61.848 2.852 17768
9218 1 19 . 1 1 53 53 SER H H 50 8.770 8.770 8.934 -0.164 17768
9219 1 19 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.652 -0.352 17768
9220 1 19 . 1 1 57 57 PHE N N 54 126.200 126.200 119.848 6.352 17768
9221 1 19 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.901 -0.041 17768
9222 1 19 . 1 1 57 57 PHE CA C 54 53.100 53.100 55.451 -2.351 17768
9223 1 19 . 1 1 57 57 PHE CB C 54 40.400 40.400 40.254 0.146 17768
9224 1 19 . 1 1 57 57 PHE H H 54 8.620 8.620 7.595 1.025 17768
9225 1 19 . 1 1 59 59 THR HA H 56 4.910 4.910 4.568 0.342 17768
9226 1 19 . 1 1 60 60 LYS N N 57 123.900 123.900 122.120 1.780 17768
9227 1 19 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.069 0.601 17768
9228 1 19 . 1 1 60 60 LYS CA C 57 56.900 56.900 57.294 -0.394 17768
9229 1 19 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.143 0.257 17768
9230 1 19 . 1 1 60 60 LYS H H 57 8.760 8.760 8.992 -0.232 17768
9231 1 19 . 1 1 61 61 SER N N 58 113.900 113.900 112.874 1.026 17768
9232 1 19 . 1 1 61 61 SER HA H 58 4.690 4.690 4.627 0.063 17768
9233 1 19 . 1 1 61 61 SER CA C 58 55.000 55.000 57.371 -2.371 17768
9234 1 19 . 1 1 61 61 SER CB C 58 63.000 63.000 64.017 -1.017 17768
9235 1 19 . 1 1 61 61 SER H H 58 8.400 8.400 7.937 0.463 17768
9236 1 19 . 1 1 66 66 ASN N N 63 117.100 117.100 118.215 -1.115 17768
9237 1 19 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.391 0.269 17768
9238 1 19 . 1 1 66 66 ASN CA C 63 53.100 53.100 51.852 1.248 17768
9239 1 19 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.963 0.437 17768
9240 1 19 . 1 1 66 66 ASN H H 63 8.260 8.260 7.785 0.475 17768
9241 1 19 . 1 1 67 67 ILE N N 64 120.300 120.300 120.944 -0.644 17768
9242 1 19 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.610 0.010 17768
9243 1 19 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.237 2.063 17768
9244 1 19 . 1 1 67 67 ILE CB C 64 43.200 43.200 41.041 2.159 17768
9245 1 19 . 1 1 67 67 ILE H H 64 8.910 8.910 8.843 0.067 17768
9246 1 19 . 1 1 68 68 THR N N 65 124.100 124.100 123.450 0.650 17768
9247 1 19 . 1 1 68 68 THR HA H 65 5.490 5.490 4.640 0.850 17768
9248 1 19 . 1 1 68 68 THR CA C 65 61.900 61.900 61.358 0.542 17768
9249 1 19 . 1 1 68 68 THR CB C 65 70.200 70.200 70.291 -0.091 17768
9250 1 19 . 1 1 68 68 THR H H 65 8.940 8.940 8.343 0.597 17768
9251 1 19 . 1 1 69 69 MET N N 66 126.700 126.700 126.110 0.590 17768
9252 1 19 . 1 1 69 69 MET HA H 66 5.050 5.050 4.836 0.214 17768
9253 1 19 . 1 1 69 69 MET CA C 66 55.100 55.100 53.139 1.961 17768
9254 1 19 . 1 1 69 69 MET CB C 66 38.100 38.100 37.746 0.354 17768
9255 1 19 . 1 1 69 69 MET H H 66 9.200 9.200 9.354 -0.154 17768
9256 1 19 . 1 1 70 70 ASP N N 67 123.500 123.500 120.941 2.559 17768
9257 1 19 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.377 0.033 17768
9258 1 19 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.494 0.506 17768
9259 1 19 . 1 1 70 70 ASP CB C 67 43.500 43.500 44.494 -0.994 17768
9260 1 19 . 1 1 70 70 ASP H H 67 7.720 7.720 8.179 -0.459 17768
9261 1 19 . 1 1 71 71 PHE N N 68 116.900 116.900 116.001 0.899 17768
9262 1 19 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.271 -0.441 17768
9263 1 19 . 1 1 71 71 PHE CA C 68 57.000 57.000 54.898 2.102 17768
9264 1 19 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.046 1.954 17768
9265 1 19 . 1 1 71 71 PHE H H 68 9.130 9.130 8.738 0.392 17768
9266 1 19 . 1 1 72 72 HIS N N 69 120.400 120.400 120.576 -0.176 17768
9267 1 19 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.537 0.893 17768
9268 1 19 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.621 0.579 17768
9269 1 19 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.235 3.865 17768
9270 1 19 . 1 1 72 72 HIS H H 69 9.350 9.350 9.170 0.180 17768
9271 1 19 . 1 1 73 73 VAL N N 70 124.900 124.900 123.456 1.444 17768
9272 1 19 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.287 0.153 17768
9273 1 19 . 1 1 73 73 VAL CA C 70 62.000 62.000 61.398 0.603 17768
9274 1 19 . 1 1 73 73 VAL CB C 70 34.300 34.300 32.251 2.049 17768
9275 1 19 . 1 1 73 73 VAL H H 70 9.610 9.610 8.251 1.359 17768
9276 1 19 . 1 1 74 74 TRP N N 71 129.500 129.500 126.831 2.669 17768
9277 1 19 . 1 1 74 74 TRP HA H 71 4.940 4.940 4.915 0.025 17768
9278 1 19 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.263 0.537 17768
9279 1 19 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.241 -2.241 17768
9280 1 19 . 1 1 74 74 TRP H H 71 8.790 8.790 9.325 -0.535 17768
9281 1 19 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.293 0.107 17768
9282 1 19 . 1 1 76 76 GLY N N 73 105.500 105.500 106.587 -1.087 17768
9283 1 19 . 1 1 76 76 GLY CA C 73 44.800 44.800 44.505 0.294 17768
9284 1 19 . 1 1 76 76 GLY H H 73 8.710 8.710 8.306 0.404 17768
9285 1 19 . 1 1 77 77 THR N N 74 114.200 114.200 112.810 1.390 17768
9286 1 19 . 1 1 77 77 THR HA H 74 4.460 4.460 3.957 0.503 17768
9287 1 19 . 1 1 77 77 THR CA C 74 62.700 62.700 65.074 -2.374 17768
9288 1 19 . 1 1 77 77 THR CB C 74 70.000 70.000 68.560 1.440 17768
9289 1 19 . 1 1 77 77 THR H H 74 9.010 9.010 8.331 0.679 17768
9290 1 19 . 1 1 78 78 THR N N 75 110.800 110.800 114.323 -3.523 17768
9291 1 19 . 1 1 78 78 THR CA C 75 59.100 59.100 61.534 -2.434 17768
9292 1 19 . 1 1 78 78 THR H H 75 7.960 7.960 7.656 0.304 17768
9293 1 19 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.121 1.179 17768
9294 1 19 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.538 0.062 17768
9295 1 19 . 1 1 80 80 ALA N N 77 120.500 120.500 120.361 0.139 17768
9296 1 19 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.195 -0.175 17768
9297 1 19 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.678 0.722 17768
9298 1 19 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.137 0.563 17768
9299 1 19 . 1 1 80 80 ALA H H 77 8.290 8.290 8.277 0.013 17768
9300 1 19 . 1 1 81 81 GLU N N 78 118.800 118.800 118.153 0.647 17768
9301 1 19 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.023 0.017 17768
9302 1 19 . 1 1 81 81 GLU CA C 78 59.700 59.700 58.486 1.214 17768
9303 1 19 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.244 1.256 17768
9304 1 19 . 1 1 81 81 GLU H H 78 7.930 7.930 7.944 -0.014 17768
9305 1 19 . 1 1 82 82 ALA N N 79 119.700 119.700 121.471 -1.771 17768
9306 1 19 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.094 -0.214 17768
9307 1 19 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.399 0.101 17768
9308 1 19 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.255 0.145 17768
9309 1 19 . 1 1 82 82 ALA H H 79 7.470 7.470 7.971 -0.501 17768
9310 1 19 . 1 1 83 83 GLN N N 80 120.700 120.700 117.656 3.044 17768
9311 1 19 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.203 -0.373 17768
9312 1 19 . 1 1 83 83 GLN CA C 80 59.200 59.200 57.882 1.318 17768
9313 1 19 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.271 0.429 17768
9314 1 19 . 1 1 83 83 GLN H H 80 8.690 8.690 7.860 0.830 17768
9315 1 19 . 1 1 84 84 ASP N N 81 123.100 123.100 121.432 1.668 17768
9316 1 19 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.461 -0.091 17768
9317 1 19 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.372 1.128 17768
9318 1 19 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.972 -0.672 17768
9319 1 19 . 1 1 84 84 ASP H H 81 8.480 8.480 7.526 0.954 17768
9320 1 19 . 1 1 85 85 ILE N N 82 119.300 119.300 116.612 2.688 17768
9321 1 19 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.795 -0.255 17768
9322 1 19 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.095 1.605 17768
9323 1 19 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.670 0.830 17768
9324 1 19 . 1 1 85 85 ILE H H 82 8.340 8.340 8.430 -0.090 17768
9325 1 19 . 1 1 86 86 SER N N 83 114.800 114.800 116.947 -2.147 17768
9326 1 19 . 1 1 86 86 SER HA H 83 4.560 4.560 4.089 0.471 17768
9327 1 19 . 1 1 86 86 SER CA C 83 63.500 63.500 61.818 1.682 17768
9328 1 19 . 1 1 86 86 SER H H 83 7.880 7.880 7.943 -0.063 17768
9329 1 19 . 1 1 87 87 SER N N 84 117.400 117.400 118.332 -0.932 17768
9330 1 19 . 1 1 87 87 SER HA H 84 4.400 4.400 4.186 0.214 17768
9331 1 19 . 1 1 87 87 SER CA C 84 58.100 58.100 61.419 -3.319 17768
9332 1 19 . 1 1 87 87 SER H H 84 8.320 8.320 8.034 0.286 17768
9333 1 19 . 1 1 88 88 ARG N N 85 121.100 121.100 121.130 -0.030 17768
9334 1 19 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.256 -0.166 17768
9335 1 19 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.380 0.320 17768
9336 1 19 . 1 1 88 88 ARG H H 85 7.780 7.780 8.431 -0.651 17768
9337 1 19 . 1 1 89 89 VAL N N 86 121.200 121.200 120.888 0.312 17768
9338 1 19 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.507 -0.147 17768
9339 1 19 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.572 0.928 17768
9340 1 19 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.556 -0.556 17768
9341 1 19 . 1 1 89 89 VAL H H 86 8.190 8.190 8.010 0.180 17768
9342 1 19 . 1 1 90 90 LEU N N 87 117.500 117.500 120.183 -2.683 17768
9343 1 19 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.876 -0.186 17768
9344 1 19 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.449 -0.149 17768
9345 1 19 . 1 1 90 90 LEU CB C 87 41.300 41.300 41.301 -0.001 17768
9346 1 19 . 1 1 90 90 LEU H H 87 7.330 7.330 7.862 -0.532 17768
9347 1 19 . 1 1 91 91 GLU N N 88 118.500 118.500 119.266 -0.766 17768
9348 1 19 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.870 -0.250 17768
9349 1 19 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.073 0.027 17768
9350 1 19 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.561 1.039 17768
9351 1 19 . 1 1 91 91 GLU H H 88 7.810 7.810 8.442 -0.632 17768
9352 1 19 . 1 1 92 92 ALA N N 89 121.800 121.800 121.326 0.474 17768
9353 1 19 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.766 -0.706 17768
9354 1 19 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.904 -0.504 17768
9355 1 19 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.954 1.246 17768
9356 1 19 . 1 1 92 92 ALA H H 89 7.820 7.820 7.537 0.283 17768
9357 1 19 . 1 1 93 93 LEU N N 90 113.600 113.600 117.441 -3.841 17768
9358 1 19 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.273 -0.253 17768
9359 1 19 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.264 -0.064 17768
9360 1 19 . 1 1 93 93 LEU CB C 90 43.700 43.700 41.817 1.883 17768
9361 1 19 . 1 1 93 93 LEU H H 90 7.570 7.570 7.962 -0.392 17768
9362 1 19 . 1 1 94 94 THR N N 91 102.400 102.400 109.116 -6.716 17768
9363 1 19 . 1 1 94 94 THR HA H 91 4.510 4.510 4.420 0.090 17768
9364 1 19 . 1 1 94 94 THR CA C 91 61.500 61.500 62.604 -1.104 17768
9365 1 19 . 1 1 94 94 THR CB C 91 71.300 71.300 68.401 2.899 17768
9366 1 19 . 1 1 94 94 THR H H 91 7.280 7.280 7.619 -0.339 17768
9367 1 19 . 1 1 95 95 TYR N N 92 123.600 123.600 123.818 -0.218 17768
9368 1 19 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.361 -0.031 17768
9369 1 19 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.449 0.251 17768
9370 1 19 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.251 -1.651 17768
9371 1 19 . 1 1 95 95 TYR H H 92 7.900 7.900 7.743 0.157 17768
9372 1 19 . 1 1 96 96 LYS N N 93 117.500 117.500 120.613 -3.113 17768
9373 1 19 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.444 0.106 17768
9374 1 19 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.242 1.458 17768
9375 1 19 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.393 0.107 17768
9376 1 19 . 1 1 96 96 LYS H H 93 7.000 7.000 7.414 -0.414 17768
9377 1 19 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.427 -0.057 17768
9378 1 19 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.049 1.551 17768
9379 1 19 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.879 -0.179 17768
9380 1 19 . 1 1 98 98 LEU N N 95 125.400 125.400 121.728 3.672 17768
9381 1 19 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.399 0.221 17768
9382 1 19 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.913 -1.113 17768
9383 1 19 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.539 3.061 17768
9384 1 19 . 1 1 98 98 LEU H H 95 8.380 8.380 8.612 -0.232 17768
9385 1 19 . 1 1 99 99 MET N N 96 123.100 123.100 123.541 -0.441 17768
9386 1 19 . 1 1 99 99 MET HA H 96 5.480 5.480 5.451 0.029 17768
9387 1 19 . 1 1 99 99 MET CA C 96 55.200 55.200 54.851 0.349 17768
9388 1 19 . 1 1 99 99 MET CB C 96 37.200 37.200 36.840 0.360 17768
9389 1 19 . 1 1 99 99 MET H H 96 8.480 8.480 8.446 0.034 17768
9390 1 19 . 1 1 100 100 PHE N N 97 122.900 122.900 126.278 -3.378 17768
9391 1 19 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.974 -0.584 17768
9392 1 19 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.818 2.482 17768
9393 1 19 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.281 1.819 17768
9394 1 19 . 1 1 100 100 PHE H H 97 8.640 8.640 9.535 -0.895 17768
9395 1 19 . 1 1 101 101 GLU N N 98 125.300 125.300 126.439 -1.139 17768
9396 1 19 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.808 -0.378 17768
9397 1 19 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.704 1.496 17768
9398 1 19 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.492 0.908 17768
9399 1 19 . 1 1 101 101 GLU H H 98 8.640 8.640 9.056 -0.416 17768
9400 1 19 . 1 1 102 102 GLY N N 99 107.100 107.100 103.962 3.138 17768
9401 1 19 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.875 0.825 17768
9402 1 19 . 1 1 102 102 GLY H H 99 8.250 8.250 8.183 0.067 17768
9403 1 19 . 1 1 103 103 PHE N N 100 120.200 120.200 124.021 -3.821 17768
9404 1 19 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.623 0.107 17768
9405 1 19 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.765 1.135 17768
9406 1 19 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.484 2.516 17768
9407 1 19 . 1 1 103 103 PHE H H 100 8.310 8.310 7.572 0.738 17768
9408 1 19 . 1 1 104 104 THR N N 101 116.100 116.100 117.969 -1.869 17768
9409 1 19 . 1 1 104 104 THR HA H 101 4.970 4.970 4.864 0.106 17768
9410 1 19 . 1 1 104 104 THR CA C 101 61.900 61.900 60.362 1.538 17768
9411 1 19 . 1 1 104 104 THR CB C 101 71.400 71.400 69.750 1.650 17768
9412 1 19 . 1 1 104 104 THR H H 101 8.250 8.250 7.743 0.507 17768
9413 1 19 . 1 1 105 105 PHE N N 102 123.200 123.200 120.285 2.915 17768
9414 1 19 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.791 0.819 17768
9415 1 19 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.937 -1.337 17768
9416 1 19 . 1 1 105 105 PHE CB C 102 42.600 42.600 42.677 -0.077 17768
9417 1 19 . 1 1 105 105 PHE H H 102 8.840 8.840 8.487 0.353 17768
9418 1 19 . 1 1 106 106 VAL N N 103 120.000 120.000 124.443 -4.443 17768
9419 1 19 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.381 0.119 17768
9420 1 19 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.070 0.130 17768
9421 1 19 . 1 1 106 106 VAL CB C 103 35.200 35.200 32.868 2.332 17768
9422 1 19 . 1 1 106 106 VAL H H 103 8.460 8.460 8.357 0.103 17768
9423 1 19 . 1 1 107 107 ALA N N 104 130.400 130.400 131.660 -1.260 17768
9424 1 19 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.794 -0.954 17768
9425 1 19 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.629 0.771 17768
9426 1 19 . 1 1 107 107 ALA CB C 104 17.800 17.800 20.140 -2.341 17768
9427 1 19 . 1 1 107 107 ALA H H 104 9.210 9.210 8.817 0.393 17768
9428 1 19 . 1 1 108 108 LYS N N 105 127.100 127.100 123.675 3.425 17768
9429 1 19 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.499 -0.269 17768
9430 1 19 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.218 0.983 17768
9431 1 19 . 1 1 108 108 LYS H H 105 8.670 8.670 8.993 -0.323 17768
9432 1 19 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.539 -0.039 17768
9433 1 19 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.105 1.095 17768
9434 1 19 . 1 1 115 115 VAL CB C 112 33.500 33.500 34.168 -0.668 17768
9435 1 19 . 1 1 116 116 ILE N N 113 125.200 125.200 124.950 0.250 17768
9436 1 19 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.526 -0.006 17768
9437 1 19 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.488 -0.588 17768
9438 1 19 . 1 1 116 116 ILE CB C 113 41.700 41.700 39.199 2.501 17768
9439 1 19 . 1 1 116 116 ILE H H 113 8.760 8.760 8.191 0.569 17768
9440 1 19 . 1 1 117 117 THR N N 114 119.000 119.000 119.488 -0.488 17768
9441 1 19 . 1 1 117 117 THR HA H 114 4.560 4.560 4.434 0.126 17768
9442 1 19 . 1 1 117 117 THR CA C 114 62.300 62.300 62.188 0.112 17768
9443 1 19 . 1 1 117 117 THR CB C 114 69.400 69.400 69.702 -0.302 17768
9444 1 19 . 1 1 117 117 THR H H 114 8.380 8.380 8.184 0.196 17768
9445 1 19 . 1 1 118 118 ASP N N 115 126.200 126.200 123.501 2.699 17768
9446 1 19 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.733 -0.083 17768
9447 1 19 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.216 1.284 17768
9448 1 19 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.516 0.784 17768
9449 1 19 . 1 1 118 118 ASP H H 115 8.920 8.920 8.357 0.563 17768
9450 1 19 . 1 1 119 119 THR HA H 116 3.990 3.990 4.063 -0.073 17768
9451 1 19 . 1 1 119 119 THR CA C 116 64.800 64.800 64.924 -0.124 17768
9452 1 19 . 1 1 119 119 THR CB C 116 69.200 69.200 68.675 0.525 17768
9453 1 19 . 1 1 120 120 ASP N N 117 120.500 120.500 119.809 0.691 17768
9454 1 19 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.209 0.591 17768
9455 1 19 . 1 1 120 120 ASP CB C 117 39.700 39.700 41.470 -1.770 17768
9456 1 19 . 1 1 120 120 ASP H H 117 8.360 8.360 7.947 0.413 17768
9457 1 19 . 1 1 121 121 GLY N N 118 108.600 108.600 109.788 -1.188 17768
9458 1 19 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.095 0.705 17768
9459 1 19 . 1 1 121 121 GLY H H 118 8.310 8.310 8.133 0.177 17768
9460 1 19 . 1 1 122 122 VAL N N 119 118.600 118.600 120.422 -1.822 17768
9461 1 19 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.146 0.054 17768
9462 1 19 . 1 1 122 122 VAL CA C 119 63.200 63.200 62.298 0.902 17768
9463 1 19 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.324 3.676 17768
9464 1 19 . 1 1 122 122 VAL H H 119 8.500 8.500 7.752 0.748 17768
9465 1 19 . 1 1 123 123 THR N N 120 123.300 123.300 117.798 5.502 17768
9466 1 19 . 1 1 123 123 THR HA H 120 4.030 4.030 4.237 -0.207 17768
9467 1 19 . 1 1 123 123 THR CA C 120 64.800 64.800 62.322 2.478 17768
9468 1 19 . 1 1 123 123 THR CB C 120 68.400 68.400 69.674 -1.274 17768
9469 1 19 . 1 1 123 123 THR H H 120 9.700 9.700 8.109 1.591 17768
9470 1 19 . 1 1 124 124 LYS N N 121 125.500 125.500 124.453 1.047 17768
9471 1 19 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.404 0.146 17768
9472 1 19 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.731 -1.431 17768
9473 1 19 . 1 1 124 124 LYS H H 121 8.650 8.650 8.523 0.127 17768
9474 1 19 . 1 1 125 125 HIS N N 122 121.400 121.400 120.071 1.329 17768
9475 1 19 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.338 -0.258 17768
9476 1 19 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.134 -1.534 17768
9477 1 19 . 1 1 125 125 HIS CB C 122 31.600 31.600 33.153 -1.553 17768
9478 1 19 . 1 1 125 125 HIS H H 122 8.580 8.580 8.269 0.311 17768
9479 1 19 . 1 1 126 126 GLY N N 123 114.000 114.000 109.238 4.762 17768
9480 1 19 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.046 0.154 17768
9481 1 19 . 1 1 126 126 GLY H H 123 10.010 10.010 8.781 1.229 17768
9482 1 19 . 1 1 127 127 ILE N N 124 124.000 124.000 124.800 -0.800 17768
9483 1 19 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.225 0.255 17768
9484 1 19 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.535 1.165 17768
9485 1 19 . 1 1 127 127 ILE CB C 124 41.100 41.100 38.606 2.494 17768
9486 1 19 . 1 1 127 127 ILE H H 124 8.740 8.740 8.447 0.293 17768
9487 1 19 . 1 1 128 128 ILE N N 125 126.200 126.200 130.354 -4.154 17768
9488 1 19 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.382 0.398 17768
9489 1 19 . 1 1 128 128 ILE CA C 125 60.100 60.100 59.170 0.930 17768
9490 1 19 . 1 1 128 128 ILE CB C 125 41.800 41.800 38.780 3.020 17768
9491 1 19 . 1 1 128 128 ILE H H 125 8.640 8.640 8.656 -0.016 17768
9492 1 19 . 1 1 129 129 LYS N N 126 126.300 126.300 128.694 -2.394 17768
9493 1 19 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.809 0.601 17768
9494 1 19 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.738 0.862 17768
9495 1 19 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.884 1.216 17768
9496 1 19 . 1 1 129 129 LYS H H 126 8.990 8.990 8.519 0.471 17768
9497 1 19 . 1 1 130 130 VAL N N 127 126.300 126.300 117.855 8.445 17768
9498 1 19 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.680 -0.120 17768
9499 1 19 . 1 1 130 130 VAL CA C 127 61.100 61.100 59.460 1.640 17768
9500 1 19 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.575 0.425 17768
9501 1 19 . 1 1 130 130 VAL H H 127 8.880 8.880 8.739 0.141 17768
9502 1 19 . 1 1 131 131 ARG N N 128 126.600 126.600 121.412 5.188 17768
9503 1 19 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.221 0.739 17768
9504 1 19 . 1 1 131 131 ARG CA C 128 55.600 55.600 53.965 1.635 17768
9505 1 19 . 1 1 131 131 ARG CB C 128 32.600 32.600 34.220 -1.620 17768
9506 1 19 . 1 1 131 131 ARG H H 128 8.720 8.720 8.110 0.610 17768
9507 1 19 . 1 1 132 132 PHE N N 129 125.700 125.700 122.357 3.343 17768
9508 1 19 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.650 -0.040 17768
9509 1 19 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.921 0.679 17768
9510 1 19 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.431 -0.030 17768
9511 1 19 . 1 1 132 132 PHE H H 129 9.720 9.720 7.822 1.898 17768
9512 1 19 . 1 1 133 133 THR N N 130 114.700 114.700 116.723 -2.023 17768
9513 1 19 . 1 1 133 133 THR HA H 130 5.070 5.070 5.190 -0.120 17768
9514 1 19 . 1 1 133 133 THR CA C 130 61.800 61.800 61.479 0.321 17768
9515 1 19 . 1 1 133 133 THR CB C 130 71.100 71.100 72.184 -1.084 17768
9516 1 19 . 1 1 133 133 THR H H 130 9.100 9.100 9.046 0.054 17768
9517 1 19 . 1 1 134 134 ILE N N 131 123.000 123.000 124.492 -1.492 17768
9518 1 19 . 1 1 134 134 ILE CA C 131 61.400 61.400 59.496 1.904 17768
9519 1 19 . 1 1 134 134 ILE H H 131 8.400 8.400 8.198 0.202 17768
9520 1 20 . 1 1 6 6 TRP HA H 3 4.240 4.240 4.766 -0.526 17768
9521 1 20 . 1 1 6 6 TRP CB C 3 29.900 29.900 32.045 -2.145 17768
9522 1 20 . 1 1 8 8 LEU CA C 5 57.800 57.800 57.992 -0.192 17768
9523 1 20 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.766 -2.066 17768
9524 1 20 . 1 1 9 9 ALA N N 6 122.500 122.500 120.622 1.878 17768
9525 1 20 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.427 -1.447 17768
9526 1 20 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.155 -0.455 17768
9527 1 20 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.801 0.999 17768
9528 1 20 . 1 1 9 9 ALA H H 6 8.150 8.150 8.356 -0.206 17768
9529 1 20 . 1 1 10 10 SER N N 7 112.300 112.300 114.489 -2.189 17768
9530 1 20 . 1 1 10 10 SER HA H 7 3.660 3.660 4.059 -0.399 17768
9531 1 20 . 1 1 10 10 SER CA C 7 62.300 62.300 61.361 0.939 17768
9532 1 20 . 1 1 10 10 SER H H 7 7.910 7.910 8.057 -0.147 17768
9533 1 20 . 1 1 11 11 ARG N N 8 122.300 122.300 120.077 2.223 17768
9534 1 20 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.032 -0.082 17768
9535 1 20 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.781 0.819 17768
9536 1 20 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.997 -0.198 17768
9537 1 20 . 1 1 11 11 ARG H H 8 7.390 7.390 8.313 -0.923 17768
9538 1 20 . 1 1 12 12 ALA N N 9 121.500 121.500 122.299 -0.799 17768
9539 1 20 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.801 0.069 17768
9540 1 20 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.397 0.603 17768
9541 1 20 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.371 1.829 17768
9542 1 20 . 1 1 12 12 ALA H H 9 7.720 7.720 7.512 0.208 17768
9543 1 20 . 1 1 13 13 LEU N N 10 119.000 119.000 117.710 1.290 17768
9544 1 20 . 1 1 13 13 LEU HA H 10 2.910 2.910 4.034 -1.124 17768
9545 1 20 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.677 -0.077 17768
9546 1 20 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.560 -0.560 17768
9547 1 20 . 1 1 13 13 LEU H H 10 7.940 7.940 7.385 0.555 17768
9548 1 20 . 1 1 14 14 GLN N N 11 119.300 119.300 119.277 0.023 17768
9549 1 20 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.974 -0.624 17768
9550 1 20 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.299 2.401 17768
9551 1 20 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.195 -0.195 17768
9552 1 20 . 1 1 14 14 GLN H H 11 7.390 7.390 8.256 -0.866 17768
9553 1 20 . 1 1 15 15 LYS N N 12 116.200 116.200 120.892 -4.692 17768
9554 1 20 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.093 -0.473 17768
9555 1 20 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.773 -0.473 17768
9556 1 20 . 1 1 15 15 LYS CB C 12 31.800 31.800 32.056 -0.257 17768
9557 1 20 . 1 1 15 15 LYS H H 12 7.470 7.470 7.597 -0.127 17768
9558 1 20 . 1 1 16 16 ALA N N 13 121.700 121.700 122.166 -0.466 17768
9559 1 20 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.212 -0.042 17768
9560 1 20 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.194 0.206 17768
9561 1 20 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.451 1.149 17768
9562 1 20 . 1 1 16 16 ALA H H 13 8.560 8.560 7.813 0.747 17768
9563 1 20 . 1 1 17 17 THR N N 14 108.700 108.700 113.186 -4.486 17768
9564 1 20 . 1 1 17 17 THR HA H 14 3.650 3.650 3.958 -0.308 17768
9565 1 20 . 1 1 17 17 THR CA C 14 66.500 66.500 66.092 0.408 17768
9566 1 20 . 1 1 17 17 THR CB C 14 69.300 69.300 68.849 0.451 17768
9567 1 20 . 1 1 17 17 THR H H 14 8.210 8.210 8.297 -0.087 17768
9568 1 20 . 1 1 18 18 VAL N N 15 122.600 122.600 121.681 0.919 17768
9569 1 20 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.725 -0.325 17768
9570 1 20 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.440 1.960 17768
9571 1 20 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.672 -0.172 17768
9572 1 20 . 1 1 18 18 VAL H H 15 7.570 7.570 8.178 -0.608 17768
9573 1 20 . 1 1 19 19 GLU N N 16 117.400 117.400 120.518 -3.118 17768
9574 1 20 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.070 0.100 17768
9575 1 20 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.947 -0.247 17768
9576 1 20 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.406 -0.206 17768
9577 1 20 . 1 1 19 19 GLU H H 16 7.560 7.560 8.273 -0.713 17768
9578 1 20 . 1 1 20 20 ASN N N 17 120.900 120.900 119.173 1.727 17768
9579 1 20 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.624 -0.394 17768
9580 1 20 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.071 1.129 17768
9581 1 20 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.023 -0.122 17768
9582 1 20 . 1 1 20 20 ASN H H 17 8.150 8.150 8.428 -0.278 17768
9583 1 20 . 1 1 21 21 LEU N N 18 119.500 119.500 120.411 -0.911 17768
9584 1 20 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.106 -0.186 17768
9585 1 20 . 1 1 21 21 LEU CA C 18 60.100 60.100 58.264 1.837 17768
9586 1 20 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.951 0.649 17768
9587 1 20 . 1 1 21 21 LEU H H 18 8.500 8.500 8.352 0.148 17768
9588 1 20 . 1 1 22 22 GLU N N 19 112.100 112.100 115.682 -3.582 17768
9589 1 20 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.159 0.441 17768
9590 1 20 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.328 0.372 17768
9591 1 20 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.753 0.447 17768
9592 1 20 . 1 1 22 22 GLU H H 19 8.450 8.450 8.266 0.184 17768
9593 1 20 . 1 1 23 23 SER N N 20 110.300 110.300 115.000 -4.700 17768
9594 1 20 . 1 1 23 23 SER HA H 20 4.490 4.490 4.490 0.000 17768
9595 1 20 . 1 1 23 23 SER CA C 20 58.600 58.600 60.018 -1.418 17768
9596 1 20 . 1 1 23 23 SER H H 20 7.570 7.570 7.786 -0.216 17768
9597 1 20 . 1 1 24 24 TYR N N 21 125.300 125.300 125.355 -0.055 17768
9598 1 20 . 1 1 24 24 TYR HA H 21 4.580 4.580 3.950 0.630 17768
9599 1 20 . 1 1 24 24 TYR CA C 21 57.700 57.700 56.487 1.213 17768
9600 1 20 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.737 -0.337 17768
9601 1 20 . 1 1 24 24 TYR H H 21 7.560 7.560 7.920 -0.360 17768
9602 1 20 . 1 1 25 25 GLN N N 22 130.000 130.000 127.764 2.236 17768
9603 1 20 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.802 0.048 17768
9604 1 20 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.968 0.832 17768
9605 1 20 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.882 0.418 17768
9606 1 20 . 1 1 25 25 GLN H H 22 8.710 8.710 8.092 0.618 17768
9607 1 20 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.400 -0.390 17768
9608 1 20 . 1 1 27 27 LEU N N 24 112.400 112.400 114.891 -2.491 17768
9609 1 20 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.560 -0.350 17768
9610 1 20 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.233 0.067 17768
9611 1 20 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.623 1.477 17768
9612 1 20 . 1 1 27 27 LEU H H 24 6.720 6.720 7.828 -1.108 17768
9613 1 20 . 1 1 28 28 MET N N 25 116.900 116.900 118.476 -1.576 17768
9614 1 20 . 1 1 28 28 MET HA H 25 4.510 4.510 4.343 0.167 17768
9615 1 20 . 1 1 28 28 MET CA C 25 55.900 55.900 56.683 -0.783 17768
9616 1 20 . 1 1 28 28 MET CB C 25 29.100 29.100 31.075 -1.975 17768
9617 1 20 . 1 1 28 28 MET H H 25 7.620 7.620 7.554 0.066 17768
9618 1 20 . 1 1 29 29 GLU N N 26 116.100 116.100 117.379 -1.279 17768
9619 1 20 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.152 -0.012 17768
9620 1 20 . 1 1 29 29 GLU CA C 26 58.400 58.400 58.118 0.282 17768
9621 1 20 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.733 0.567 17768
9622 1 20 . 1 1 29 29 GLU H H 26 8.060 8.060 8.115 -0.055 17768
9623 1 20 . 1 1 30 30 MET N N 27 115.100 115.100 117.916 -2.816 17768
9624 1 20 . 1 1 30 30 MET HA H 27 4.450 4.450 4.561 -0.111 17768
9625 1 20 . 1 1 30 30 MET CA C 27 57.000 57.000 55.711 1.289 17768
9626 1 20 . 1 1 30 30 MET CB C 27 36.500 36.500 34.687 1.813 17768
9627 1 20 . 1 1 30 30 MET H H 27 7.920 7.920 7.464 0.456 17768
9628 1 20 . 1 1 31 31 VAL N N 28 107.100 107.100 113.271 -6.171 17768
9629 1 20 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.549 0.161 17768
9630 1 20 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.299 -1.699 17768
9631 1 20 . 1 1 31 31 VAL CB C 28 36.500 36.500 33.669 2.831 17768
9632 1 20 . 1 1 31 31 VAL H H 28 7.180 7.180 7.971 -0.791 17768
9633 1 20 . 1 1 32 32 ASN N N 29 115.300 115.300 121.806 -6.506 17768
9634 1 20 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.917 -0.217 17768
9635 1 20 . 1 1 32 32 ASN CA C 29 55.800 55.800 54.192 1.608 17768
9636 1 20 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.706 0.694 17768
9637 1 20 . 1 1 32 32 ASN H H 29 8.670 8.670 9.050 -0.380 17768
9638 1 20 . 1 1 33 33 GLN N N 30 108.900 108.900 119.023 -10.123 17768
9639 1 20 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.605 0.015 17768
9640 1 20 . 1 1 33 33 GLN CA C 30 55.600 55.600 55.074 0.526 17768
9641 1 20 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.133 2.267 17768
9642 1 20 . 1 1 33 33 GLN H H 30 7.190 7.190 8.586 -1.396 17768
9643 1 20 . 1 1 34 34 VAL N N 31 122.000 122.000 120.904 1.096 17768
9644 1 20 . 1 1 34 34 VAL HA H 31 4.910 4.910 5.143 -0.233 17768
9645 1 20 . 1 1 34 34 VAL CA C 31 62.600 62.600 62.092 0.508 17768
9646 1 20 . 1 1 34 34 VAL CB C 31 33.800 33.800 32.607 1.193 17768
9647 1 20 . 1 1 34 34 VAL H H 31 8.860 8.860 7.387 1.473 17768
9648 1 20 . 1 1 35 35 THR N N 32 119.200 119.200 123.181 -3.981 17768
9649 1 20 . 1 1 35 35 THR HA H 32 4.900 4.900 4.780 0.120 17768
9650 1 20 . 1 1 35 35 THR CA C 32 59.100 59.100 59.914 -0.814 17768
9651 1 20 . 1 1 35 35 THR CB C 32 70.100 70.100 71.085 -0.985 17768
9652 1 20 . 1 1 35 35 THR H H 32 8.910 8.910 9.005 -0.095 17768
9653 1 20 . 1 1 36 36 GLU H H 33 8.200 8.200 9.019 -0.819 17768
9654 1 20 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.499 -0.379 17768
9655 1 20 . 1 1 39 39 GLY N N 36 111.100 111.100 111.503 -0.403 17768
9656 1 20 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.714 -1.014 17768
9657 1 20 . 1 1 39 39 GLY H H 36 8.570 8.570 8.675 -0.105 17768
9658 1 20 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.443 -0.623 17768
9659 1 20 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.022 0.778 17768
9660 1 20 . 1 1 40 40 LYS CB C 37 32.600 32.600 32.556 0.044 17768
9661 1 20 . 1 1 40 40 LYS H H 37 7.070 7.070 7.561 -0.491 17768
9662 1 20 . 1 1 41 41 ASP N N 38 116.100 116.100 117.293 -1.193 17768
9663 1 20 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.720 -0.150 17768
9664 1 20 . 1 1 41 41 ASP CA C 38 53.500 53.500 52.770 0.730 17768
9665 1 20 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.565 0.235 17768
9666 1 20 . 1 1 41 41 ASP H H 38 8.250 8.250 8.275 -0.025 17768
9667 1 20 . 1 1 42 42 ASP N N 39 123.300 123.300 120.757 2.543 17768
9668 1 20 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.747 -0.297 17768
9669 1 20 . 1 1 42 42 ASP CA C 39 53.500 53.500 51.899 1.601 17768
9670 1 20 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.028 -1.728 17768
9671 1 20 . 1 1 42 42 ASP H H 39 7.070 7.070 7.159 -0.089 17768
9672 1 20 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.168 0.132 17768
9673 1 20 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.617 -0.117 17768
9674 1 20 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.348 -0.248 17768
9675 1 20 . 1 1 44 44 TYR N N 41 122.700 122.700 119.892 2.808 17768
9676 1 20 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.717 -0.117 17768
9677 1 20 . 1 1 44 44 TYR CA C 41 55.100 55.100 57.108 -2.009 17768
9678 1 20 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.301 -0.801 17768
9679 1 20 . 1 1 44 44 TYR H H 41 8.200 8.200 8.163 0.037 17768
9680 1 20 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.206 0.394 17768
9681 1 20 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.355 0.145 17768
9682 1 20 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.148 2.952 17768
9683 1 20 . 1 1 46 46 TYR N N 43 113.000 113.000 116.348 -3.348 17768
9684 1 20 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.840 0.320 17768
9685 1 20 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.763 -0.063 17768
9686 1 20 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.909 0.991 17768
9687 1 20 . 1 1 46 46 TYR H H 43 8.640 8.640 8.746 -0.106 17768
9688 1 20 . 1 1 47 47 VAL N N 44 118.300 118.300 120.345 -2.045 17768
9689 1 20 . 1 1 47 47 VAL HA H 44 5.500 5.500 5.024 0.476 17768
9690 1 20 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.928 -0.128 17768
9691 1 20 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.376 -0.076 17768
9692 1 20 . 1 1 47 47 VAL H H 44 8.210 8.210 8.211 -0.001 17768
9693 1 20 . 1 1 48 48 VAL N N 45 127.100 127.100 121.323 5.777 17768
9694 1 20 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.444 0.066 17768
9695 1 20 . 1 1 48 48 VAL CA C 45 59.700 59.700 58.732 0.968 17768
9696 1 20 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.575 -0.276 17768
9697 1 20 . 1 1 48 48 VAL H H 45 9.960 9.960 8.921 1.039 17768
9698 1 20 . 1 1 49 49 ILE N N 46 126.500 126.500 122.431 4.069 17768
9699 1 20 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.764 -0.774 17768
9700 1 20 . 1 1 49 49 ILE CA C 46 60.900 60.900 61.511 -0.611 17768
9701 1 20 . 1 1 49 49 ILE CB C 46 38.200 38.200 38.395 -0.195 17768
9702 1 20 . 1 1 49 49 ILE H H 46 8.160 8.160 8.042 0.118 17768
9703 1 20 . 1 1 50 50 GLY N N 47 116.200 116.200 113.930 2.270 17768
9704 1 20 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.351 -0.451 17768
9705 1 20 . 1 1 50 50 GLY H H 47 8.100 8.100 8.891 -0.791 17768
9706 1 20 . 1 1 51 51 ASP N N 48 118.000 118.000 118.328 -0.328 17768
9707 1 20 . 1 1 51 51 ASP HA H 48 4.490 4.490 4.822 -0.332 17768
9708 1 20 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.166 1.734 17768
9709 1 20 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.752 -1.252 17768
9710 1 20 . 1 1 51 51 ASP H H 48 8.150 8.150 8.361 -0.211 17768
9711 1 20 . 1 1 52 52 GLN N N 49 118.000 118.000 121.743 -3.743 17768
9712 1 20 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.514 0.396 17768
9713 1 20 . 1 1 52 52 GLN CA C 49 55.000 55.000 54.956 0.044 17768
9714 1 20 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.582 0.518 17768
9715 1 20 . 1 1 52 52 GLN H H 49 8.400 8.400 8.537 -0.137 17768
9716 1 20 . 1 1 53 53 SER N N 50 115.900 115.900 121.386 -5.486 17768
9717 1 20 . 1 1 53 53 SER CA C 50 58.200 58.200 58.749 -0.549 17768
9718 1 20 . 1 1 53 53 SER CB C 50 64.700 64.700 62.367 2.333 17768
9719 1 20 . 1 1 53 53 SER H H 50 8.770 8.770 8.707 0.063 17768
9720 1 20 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.307 -0.007 17768
9721 1 20 . 1 1 57 57 PHE N N 54 126.200 126.200 121.826 4.374 17768
9722 1 20 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.893 -0.033 17768
9723 1 20 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.317 -3.217 17768
9724 1 20 . 1 1 57 57 PHE CB C 54 40.400 40.400 39.938 0.462 17768
9725 1 20 . 1 1 57 57 PHE H H 54 8.620 8.620 7.591 1.029 17768
9726 1 20 . 1 1 59 59 THR HA H 56 4.910 4.910 4.607 0.303 17768
9727 1 20 . 1 1 60 60 LYS N N 57 123.900 123.900 122.704 1.196 17768
9728 1 20 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.088 0.582 17768
9729 1 20 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.700 0.200 17768
9730 1 20 . 1 1 60 60 LYS CB C 57 31.400 31.400 31.482 -0.082 17768
9731 1 20 . 1 1 60 60 LYS H H 57 8.760 8.760 8.752 0.008 17768
9732 1 20 . 1 1 61 61 SER N N 58 113.900 113.900 114.668 -0.768 17768
9733 1 20 . 1 1 61 61 SER HA H 58 4.690 4.690 4.193 0.497 17768
9734 1 20 . 1 1 61 61 SER CA C 58 55.000 55.000 57.302 -2.302 17768
9735 1 20 . 1 1 61 61 SER CB C 58 63.000 63.000 62.409 0.591 17768
9736 1 20 . 1 1 61 61 SER H H 58 8.400 8.400 8.452 -0.052 17768
9737 1 20 . 1 1 66 66 ASN N N 63 117.100 117.100 118.005 -0.905 17768
9738 1 20 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.061 0.599 17768
9739 1 20 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.096 1.004 17768
9740 1 20 . 1 1 66 66 ASN CB C 63 41.400 41.400 40.807 0.593 17768
9741 1 20 . 1 1 66 66 ASN H H 63 8.260 8.260 7.884 0.376 17768
9742 1 20 . 1 1 67 67 ILE N N 64 120.300 120.300 123.961 -3.661 17768
9743 1 20 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.431 0.189 17768
9744 1 20 . 1 1 67 67 ILE CA C 64 61.300 61.300 59.775 1.526 17768
9745 1 20 . 1 1 67 67 ILE CB C 64 43.200 43.200 38.710 4.490 17768
9746 1 20 . 1 1 67 67 ILE H H 64 8.910 8.910 8.814 0.096 17768
9747 1 20 . 1 1 68 68 THR N N 65 124.100 124.100 119.893 4.207 17768
9748 1 20 . 1 1 68 68 THR HA H 65 5.490 5.490 4.822 0.668 17768
9749 1 20 . 1 1 68 68 THR CA C 65 61.900 61.900 60.725 1.175 17768
9750 1 20 . 1 1 68 68 THR CB C 65 70.200 70.200 70.499 -0.299 17768
9751 1 20 . 1 1 68 68 THR H H 65 8.940 8.940 8.368 0.572 17768
9752 1 20 . 1 1 69 69 MET N N 66 126.700 126.700 122.529 4.171 17768
9753 1 20 . 1 1 69 69 MET HA H 66 5.050 5.050 5.140 -0.090 17768
9754 1 20 . 1 1 69 69 MET CA C 66 55.100 55.100 54.498 0.602 17768
9755 1 20 . 1 1 69 69 MET CB C 66 38.100 38.100 37.495 0.605 17768
9756 1 20 . 1 1 69 69 MET H H 66 9.200 9.200 8.912 0.288 17768
9757 1 20 . 1 1 70 70 ASP N N 67 123.500 123.500 120.602 2.898 17768
9758 1 20 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.038 0.372 17768
9759 1 20 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.897 0.103 17768
9760 1 20 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.699 -2.199 17768
9761 1 20 . 1 1 70 70 ASP H H 67 7.720 7.720 8.034 -0.314 17768
9762 1 20 . 1 1 71 71 PHE N N 68 116.900 116.900 119.821 -2.921 17768
9763 1 20 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.478 -0.648 17768
9764 1 20 . 1 1 71 71 PHE CA C 68 57.000 57.000 54.519 2.481 17768
9765 1 20 . 1 1 71 71 PHE CB C 68 43.000 43.000 40.665 2.335 17768
9766 1 20 . 1 1 71 71 PHE H H 68 9.130 9.130 8.380 0.750 17768
9767 1 20 . 1 1 72 72 HIS N N 69 120.400 120.400 121.690 -1.290 17768
9768 1 20 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.970 0.460 17768
9769 1 20 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.494 0.706 17768
9770 1 20 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.578 3.522 17768
9771 1 20 . 1 1 72 72 HIS H H 69 9.350 9.350 9.440 -0.090 17768
9772 1 20 . 1 1 73 73 VAL N N 70 124.900 124.900 123.630 1.270 17768
9773 1 20 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.559 -0.119 17768
9774 1 20 . 1 1 73 73 VAL CA C 70 62.000 62.000 59.990 2.010 17768
9775 1 20 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.875 0.425 17768
9776 1 20 . 1 1 73 73 VAL H H 70 9.610 9.610 8.710 0.900 17768
9777 1 20 . 1 1 74 74 TRP N N 71 129.500 129.500 127.577 1.923 17768
9778 1 20 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.073 -0.133 17768
9779 1 20 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.258 0.542 17768
9780 1 20 . 1 1 74 74 TRP CB C 71 31.000 31.000 33.404 -2.404 17768
9781 1 20 . 1 1 74 74 TRP H H 71 8.790 8.790 9.213 -0.423 17768
9782 1 20 . 1 1 75 75 GLY CA C 72 44.400 44.400 45.298 -0.898 17768
9783 1 20 . 1 1 76 76 GLY N N 73 105.500 105.500 112.567 -7.067 17768
9784 1 20 . 1 1 76 76 GLY CA C 73 44.800 44.800 44.956 -0.156 17768
9785 1 20 . 1 1 76 76 GLY H H 73 8.710 8.710 8.794 -0.084 17768
9786 1 20 . 1 1 77 77 THR N N 74 114.200 114.200 116.214 -2.014 17768
9787 1 20 . 1 1 77 77 THR HA H 74 4.460 4.460 4.547 -0.087 17768
9788 1 20 . 1 1 77 77 THR CA C 74 62.700 62.700 63.025 -0.325 17768
9789 1 20 . 1 1 77 77 THR CB C 74 70.000 70.000 70.630 -0.631 17768
9790 1 20 . 1 1 77 77 THR H H 74 9.010 9.010 7.788 1.222 17768
9791 1 20 . 1 1 78 78 THR N N 75 110.800 110.800 116.463 -5.663 17768
9792 1 20 . 1 1 78 78 THR CA C 75 59.100 59.100 61.423 -2.323 17768
9793 1 20 . 1 1 78 78 THR H H 75 7.960 7.960 7.535 0.425 17768
9794 1 20 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.155 1.145 17768
9795 1 20 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.687 -0.087 17768
9796 1 20 . 1 1 80 80 ALA N N 77 120.500 120.500 120.697 -0.197 17768
9797 1 20 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.198 -0.178 17768
9798 1 20 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.505 0.895 17768
9799 1 20 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.081 0.619 17768
9800 1 20 . 1 1 80 80 ALA H H 77 8.290 8.290 8.288 0.002 17768
9801 1 20 . 1 1 81 81 GLU N N 78 118.800 118.800 119.108 -0.308 17768
9802 1 20 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.024 0.016 17768
9803 1 20 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.237 0.463 17768
9804 1 20 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.557 0.943 17768
9805 1 20 . 1 1 81 81 GLU H H 78 7.930 7.930 7.924 0.006 17768
9806 1 20 . 1 1 82 82 ALA N N 79 119.700 119.700 120.179 -0.479 17768
9807 1 20 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.050 -0.170 17768
9808 1 20 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.053 0.447 17768
9809 1 20 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.256 0.144 17768
9810 1 20 . 1 1 82 82 ALA H H 79 7.470 7.470 7.974 -0.504 17768
9811 1 20 . 1 1 83 83 GLN N N 80 120.700 120.700 117.471 3.229 17768
9812 1 20 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.036 -0.206 17768
9813 1 20 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.741 0.459 17768
9814 1 20 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.297 0.403 17768
9815 1 20 . 1 1 83 83 GLN H H 80 8.690 8.690 7.690 1.000 17768
9816 1 20 . 1 1 84 84 ASP N N 81 123.100 123.100 121.655 1.445 17768
9817 1 20 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.452 -0.082 17768
9818 1 20 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.687 0.813 17768
9819 1 20 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.883 -0.583 17768
9820 1 20 . 1 1 84 84 ASP H H 81 8.480 8.480 7.755 0.725 17768
9821 1 20 . 1 1 85 85 ILE N N 82 119.300 119.300 116.982 2.318 17768
9822 1 20 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.781 -0.241 17768
9823 1 20 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.052 1.648 17768
9824 1 20 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.694 0.806 17768
9825 1 20 . 1 1 85 85 ILE H H 82 8.340 8.340 8.515 -0.175 17768
9826 1 20 . 1 1 86 86 SER N N 83 114.800 114.800 116.502 -1.702 17768
9827 1 20 . 1 1 86 86 SER HA H 83 4.560 4.560 4.100 0.460 17768
9828 1 20 . 1 1 86 86 SER CA C 83 63.500 63.500 62.008 1.492 17768
9829 1 20 . 1 1 86 86 SER H H 83 7.880 7.880 7.928 -0.048 17768
9830 1 20 . 1 1 87 87 SER N N 84 117.400 117.400 118.155 -0.755 17768
9831 1 20 . 1 1 87 87 SER HA H 84 4.400 4.400 4.117 0.283 17768
9832 1 20 . 1 1 87 87 SER CA C 84 58.100 58.100 62.317 -4.217 17768
9833 1 20 . 1 1 87 87 SER H H 84 8.320 8.320 8.069 0.251 17768
9834 1 20 . 1 1 88 88 ARG N N 85 121.100 121.100 123.036 -1.936 17768
9835 1 20 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.228 -0.138 17768
9836 1 20 . 1 1 88 88 ARG CA C 85 58.700 58.700 59.361 -0.660 17768
9837 1 20 . 1 1 88 88 ARG H H 85 7.780 7.780 8.198 -0.418 17768
9838 1 20 . 1 1 89 89 VAL N N 86 121.200 121.200 119.927 1.273 17768
9839 1 20 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.721 -0.361 17768
9840 1 20 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.061 1.438 17768
9841 1 20 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.939 -0.939 17768
9842 1 20 . 1 1 89 89 VAL H H 86 8.190 8.190 8.071 0.119 17768
9843 1 20 . 1 1 90 90 LEU N N 87 117.500 117.500 118.019 -0.519 17768
9844 1 20 . 1 1 90 90 LEU HA H 87 3.690 3.690 4.009 -0.319 17768
9845 1 20 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.008 0.292 17768
9846 1 20 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.227 1.073 17768
9847 1 20 . 1 1 90 90 LEU H H 87 7.330 7.330 8.466 -1.136 17768
9848 1 20 . 1 1 91 91 GLU N N 88 118.500 118.500 120.354 -1.854 17768
9849 1 20 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.821 -0.201 17768
9850 1 20 . 1 1 91 91 GLU CA C 88 59.100 59.100 59.085 0.015 17768
9851 1 20 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.599 1.001 17768
9852 1 20 . 1 1 91 91 GLU H H 88 7.810 7.810 7.834 -0.024 17768
9853 1 20 . 1 1 92 92 ALA N N 89 121.800 121.800 121.200 0.600 17768
9854 1 20 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.388 -0.328 17768
9855 1 20 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.651 -0.251 17768
9856 1 20 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.281 1.919 17768
9857 1 20 . 1 1 92 92 ALA H H 89 7.820 7.820 7.377 0.443 17768
9858 1 20 . 1 1 93 93 LEU N N 90 113.600 113.600 116.125 -2.525 17768
9859 1 20 . 1 1 93 93 LEU HA H 90 4.020 4.020 3.926 0.094 17768
9860 1 20 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.559 -0.360 17768
9861 1 20 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.118 1.582 17768
9862 1 20 . 1 1 93 93 LEU H H 90 7.570 7.570 7.807 -0.237 17768
9863 1 20 . 1 1 94 94 THR N N 91 102.400 102.400 108.579 -6.179 17768
9864 1 20 . 1 1 94 94 THR HA H 91 4.510 4.510 4.403 0.107 17768
9865 1 20 . 1 1 94 94 THR CA C 91 61.500 61.500 62.346 -0.846 17768
9866 1 20 . 1 1 94 94 THR CB C 91 71.300 71.300 69.024 2.276 17768
9867 1 20 . 1 1 94 94 THR H H 91 7.280 7.280 7.584 -0.304 17768
9868 1 20 . 1 1 95 95 TYR N N 92 123.600 123.600 123.720 -0.120 17768
9869 1 20 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.410 -0.080 17768
9870 1 20 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.500 0.200 17768
9871 1 20 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.347 -1.747 17768
9872 1 20 . 1 1 95 95 TYR H H 92 7.900 7.900 7.556 0.344 17768
9873 1 20 . 1 1 96 96 LYS N N 93 117.500 117.500 120.464 -2.964 17768
9874 1 20 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.505 0.045 17768
9875 1 20 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.300 1.400 17768
9876 1 20 . 1 1 96 96 LYS CB C 93 33.500 33.500 34.122 -0.622 17768
9877 1 20 . 1 1 96 96 LYS H H 93 7.000 7.000 7.500 -0.500 17768
9878 1 20 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.558 -0.188 17768
9879 1 20 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.128 1.472 17768
9880 1 20 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.857 -0.157 17768
9881 1 20 . 1 1 98 98 LEU N N 95 125.400 125.400 119.879 5.521 17768
9882 1 20 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.614 0.006 17768
9883 1 20 . 1 1 98 98 LEU CA C 95 53.800 53.800 53.730 0.070 17768
9884 1 20 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.242 3.358 17768
9885 1 20 . 1 1 98 98 LEU H H 95 8.380 8.380 8.336 0.044 17768
9886 1 20 . 1 1 99 99 MET N N 96 123.100 123.100 123.438 -0.338 17768
9887 1 20 . 1 1 99 99 MET HA H 96 5.480 5.480 5.401 0.079 17768
9888 1 20 . 1 1 99 99 MET CA C 96 55.200 55.200 54.905 0.295 17768
9889 1 20 . 1 1 99 99 MET CB C 96 37.200 37.200 36.695 0.505 17768
9890 1 20 . 1 1 99 99 MET H H 96 8.480 8.480 7.980 0.500 17768
9891 1 20 . 1 1 100 100 PHE N N 97 122.900 122.900 126.087 -3.187 17768
9892 1 20 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.960 -0.570 17768
9893 1 20 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.491 2.809 17768
9894 1 20 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.260 1.840 17768
9895 1 20 . 1 1 100 100 PHE H H 97 8.640 8.640 9.132 -0.492 17768
9896 1 20 . 1 1 101 101 GLU N N 98 125.300 125.300 126.279 -0.979 17768
9897 1 20 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.776 -0.346 17768
9898 1 20 . 1 1 101 101 GLU CA C 98 58.200 58.200 56.931 1.268 17768
9899 1 20 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.529 0.871 17768
9900 1 20 . 1 1 101 101 GLU H H 98 8.640 8.640 9.152 -0.512 17768
9901 1 20 . 1 1 102 102 GLY N N 99 107.100 107.100 103.883 3.217 17768
9902 1 20 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.768 0.932 17768
9903 1 20 . 1 1 102 102 GLY H H 99 8.250 8.250 8.046 0.204 17768
9904 1 20 . 1 1 103 103 PHE N N 100 120.200 120.200 123.428 -3.228 17768
9905 1 20 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.618 0.112 17768
9906 1 20 . 1 1 103 103 PHE CA C 100 57.900 57.900 57.153 0.747 17768
9907 1 20 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.193 2.807 17768
9908 1 20 . 1 1 103 103 PHE H H 100 8.310 8.310 8.038 0.272 17768
9909 1 20 . 1 1 104 104 THR N N 101 116.100 116.100 120.129 -4.029 17768
9910 1 20 . 1 1 104 104 THR HA H 101 4.970 4.970 4.555 0.415 17768
9911 1 20 . 1 1 104 104 THR CA C 101 61.900 61.900 60.782 1.118 17768
9912 1 20 . 1 1 104 104 THR CB C 101 71.400 71.400 70.788 0.612 17768
9913 1 20 . 1 1 104 104 THR H H 101 8.250 8.250 7.819 0.431 17768
9914 1 20 . 1 1 105 105 PHE N N 102 123.200 123.200 121.501 1.699 17768
9915 1 20 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.881 0.729 17768
9916 1 20 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.958 -1.358 17768
9917 1 20 . 1 1 105 105 PHE CB C 102 42.600 42.600 42.248 0.352 17768
9918 1 20 . 1 1 105 105 PHE H H 102 8.840 8.840 8.876 -0.036 17768
9919 1 20 . 1 1 106 106 VAL N N 103 120.000 120.000 122.789 -2.789 17768
9920 1 20 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.423 0.077 17768
9921 1 20 . 1 1 106 106 VAL CA C 103 61.200 61.200 61.458 -0.258 17768
9922 1 20 . 1 1 106 106 VAL CB C 103 35.200 35.200 33.466 1.734 17768
9923 1 20 . 1 1 106 106 VAL H H 103 8.460 8.460 8.486 -0.026 17768
9924 1 20 . 1 1 107 107 ALA N N 104 130.400 130.400 131.571 -1.171 17768
9925 1 20 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.645 -0.805 17768
9926 1 20 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.114 1.286 17768
9927 1 20 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.361 -1.561 17768
9928 1 20 . 1 1 107 107 ALA H H 104 9.210 9.210 8.806 0.404 17768
9929 1 20 . 1 1 108 108 LYS N N 105 127.100 127.100 126.870 0.230 17768
9930 1 20 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.283 -0.053 17768
9931 1 20 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.651 0.548 17768
9932 1 20 . 1 1 108 108 LYS H H 105 8.670 8.670 8.154 0.516 17768
9933 1 20 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.496 0.004 17768
9934 1 20 . 1 1 115 115 VAL CA C 112 62.200 62.200 62.017 0.183 17768
9935 1 20 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.493 1.007 17768
9936 1 20 . 1 1 116 116 ILE N N 113 125.200 125.200 125.195 0.005 17768
9937 1 20 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.394 0.126 17768
9938 1 20 . 1 1 116 116 ILE CA C 113 59.900 59.900 59.199 0.701 17768
9939 1 20 . 1 1 116 116 ILE CB C 113 41.700 41.700 41.830 -0.130 17768
9940 1 20 . 1 1 116 116 ILE H H 113 8.760 8.760 8.143 0.617 17768
9941 1 20 . 1 1 117 117 THR N N 114 119.000 119.000 119.710 -0.710 17768
9942 1 20 . 1 1 117 117 THR HA H 114 4.560 4.560 4.350 0.210 17768
9943 1 20 . 1 1 117 117 THR CA C 114 62.300 62.300 63.098 -0.798 17768
9944 1 20 . 1 1 117 117 THR CB C 114 69.400 69.400 69.157 0.243 17768
9945 1 20 . 1 1 117 117 THR H H 114 8.380 8.380 8.254 0.126 17768
9946 1 20 . 1 1 118 118 ASP N N 115 126.200 126.200 125.398 0.802 17768
9947 1 20 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.865 -0.215 17768
9948 1 20 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.235 1.265 17768
9949 1 20 . 1 1 118 118 ASP CB C 115 43.300 43.300 41.954 1.346 17768
9950 1 20 . 1 1 118 118 ASP H H 115 8.920 8.920 8.503 0.417 17768
9951 1 20 . 1 1 119 119 THR HA H 116 3.990 3.990 4.077 -0.087 17768
9952 1 20 . 1 1 119 119 THR CA C 116 64.800 64.800 64.031 0.770 17768
9953 1 20 . 1 1 119 119 THR CB C 116 69.200 69.200 68.758 0.442 17768
9954 1 20 . 1 1 120 120 ASP N N 117 120.500 120.500 120.846 -0.346 17768
9955 1 20 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.083 0.717 17768
9956 1 20 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.495 -0.795 17768
9957 1 20 . 1 1 120 120 ASP H H 117 8.360 8.360 8.365 -0.005 17768
9958 1 20 . 1 1 121 121 GLY N N 118 108.600 108.600 110.616 -2.016 17768
9959 1 20 . 1 1 121 121 GLY CA C 118 45.800 45.800 44.829 0.971 17768
9960 1 20 . 1 1 121 121 GLY H H 118 8.310 8.310 8.519 -0.209 17768
9961 1 20 . 1 1 122 122 VAL N N 119 118.600 118.600 117.917 0.683 17768
9962 1 20 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.404 -0.204 17768
9963 1 20 . 1 1 122 122 VAL CA C 119 63.200 63.200 60.173 3.027 17768
9964 1 20 . 1 1 122 122 VAL CB C 119 36.000 36.000 33.671 2.329 17768
9965 1 20 . 1 1 122 122 VAL H H 119 8.500 8.500 7.880 0.620 17768
9966 1 20 . 1 1 123 123 THR N N 120 123.300 123.300 122.309 0.991 17768
9967 1 20 . 1 1 123 123 THR HA H 120 4.030 4.030 4.323 -0.293 17768
9968 1 20 . 1 1 123 123 THR CA C 120 64.800 64.800 62.986 1.814 17768
9969 1 20 . 1 1 123 123 THR CB C 120 68.400 68.400 69.105 -0.705 17768
9970 1 20 . 1 1 123 123 THR H H 120 9.700 9.700 8.368 1.332 17768
9971 1 20 . 1 1 124 124 LYS N N 121 125.500 125.500 127.376 -1.876 17768
9972 1 20 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.450 0.100 17768
9973 1 20 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.825 -1.525 17768
9974 1 20 . 1 1 124 124 LYS H H 121 8.650 8.650 8.680 -0.030 17768
9975 1 20 . 1 1 125 125 HIS N N 122 121.400 121.400 119.506 1.894 17768
9976 1 20 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.225 -0.145 17768
9977 1 20 . 1 1 125 125 HIS CA C 122 51.600 51.600 53.954 -2.354 17768
9978 1 20 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.651 -1.051 17768
9979 1 20 . 1 1 125 125 HIS H H 122 8.580 8.580 8.068 0.512 17768
9980 1 20 . 1 1 126 126 GLY N N 123 114.000 114.000 108.744 5.256 17768
9981 1 20 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.308 -0.108 17768
9982 1 20 . 1 1 126 126 GLY H H 123 10.010 10.010 9.002 1.008 17768
9983 1 20 . 1 1 127 127 ILE N N 124 124.000 124.000 126.618 -2.618 17768
9984 1 20 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.384 0.096 17768
9985 1 20 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.821 0.879 17768
9986 1 20 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.356 1.744 17768
9987 1 20 . 1 1 127 127 ILE H H 124 8.740 8.740 8.559 0.181 17768
9988 1 20 . 1 1 128 128 ILE N N 125 126.200 126.200 130.126 -3.926 17768
9989 1 20 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.423 0.357 17768
9990 1 20 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.161 -0.061 17768
9991 1 20 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.548 1.252 17768
9992 1 20 . 1 1 128 128 ILE H H 125 8.640 8.640 8.671 -0.031 17768
9993 1 20 . 1 1 129 129 LYS N N 126 126.300 126.300 128.138 -1.838 17768
9994 1 20 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.711 0.699 17768
9995 1 20 . 1 1 129 129 LYS CA C 126 55.600 55.600 55.108 0.492 17768
9996 1 20 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.568 1.532 17768
9997 1 20 . 1 1 129 129 LYS H H 126 8.990 8.990 8.382 0.608 17768
9998 1 20 . 1 1 130 130 VAL N N 127 126.300 126.300 123.904 2.396 17768
9999 1 20 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.113 0.447 17768
10000 1 20 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.427 0.673 17768
10001 1 20 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.852 0.148 17768
10002 1 20 . 1 1 130 130 VAL H H 127 8.880 8.880 8.593 0.287 17768
10003 1 20 . 1 1 131 131 ARG N N 128 126.600 126.600 124.976 1.624 17768
10004 1 20 . 1 1 131 131 ARG HA H 128 4.960 4.960 4.997 -0.037 17768
10005 1 20 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.867 0.733 17768
10006 1 20 . 1 1 131 131 ARG CB C 128 32.600 32.600 32.626 -0.026 17768
10007 1 20 . 1 1 131 131 ARG H H 128 8.720 8.720 8.245 0.475 17768
10008 1 20 . 1 1 132 132 PHE N N 129 125.700 125.700 125.503 0.197 17768
10009 1 20 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.503 0.107 17768
10010 1 20 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.911 0.688 17768
10011 1 20 . 1 1 132 132 PHE CB C 129 42.400 42.400 41.671 0.729 17768
10012 1 20 . 1 1 132 132 PHE H H 129 9.720 9.720 9.228 0.492 17768
10013 1 20 . 1 1 133 133 THR N N 130 114.700 114.700 119.373 -4.673 17768
10014 1 20 . 1 1 133 133 THR HA H 130 5.070 5.070 4.939 0.131 17768
10015 1 20 . 1 1 133 133 THR CA C 130 61.800 61.800 61.855 -0.056 17768
10016 1 20 . 1 1 133 133 THR CB C 130 71.100 71.100 71.151 -0.051 17768
10017 1 20 . 1 1 133 133 THR H H 130 9.100 9.100 9.270 -0.170 17768
10018 1 20 . 1 1 134 134 ILE N N 131 123.000 123.000 121.636 1.364 17768
10019 1 20 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.014 1.386 17768
10020 1 20 . 1 1 134 134 ILE H H 131 8.400 8.400 7.970 0.430 17768
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 99 2.889 0.697 2.818 17768
2 1 1 "Average Difference" HA 114 0.393 0.002 0.394 17768
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17768
4 1 1 "Average Difference" CA 108 1.186 -0.344 1.140 17768
5 1 1 "Average Difference" CB 93 1.288 -0.290 1.261 17768
6 1 1 "Average Difference" HN 101 0.510 -0.101 0.503 17768
7 1 2 "Average Difference" N 99 2.959 0.628 2.907 17768
8 1 2 "Average Difference" HA 114 0.406 0.034 0.406 17768
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17768
10 1 2 "Average Difference" CA 108 1.324 -0.392 1.271 17768
11 1 2 "Average Difference" CB 93 1.444 -0.412 1.392 17768
12 1 2 "Average Difference" HN 101 0.556 -0.060 0.556 17768
13 1 3 "Average Difference" N 99 3.098 0.599 3.055 17768
14 1 3 "Average Difference" HA 114 0.400 0.016 0.402 17768
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17768
16 1 3 "Average Difference" CA 108 1.191 -0.258 1.168 17768
17 1 3 "Average Difference" CB 93 1.387 -0.335 1.354 17768
18 1 3 "Average Difference" HN 101 0.569 -0.058 0.569 17768
19 1 4 "Average Difference" N 99 3.158 0.756 3.082 17768
20 1 4 "Average Difference" HA 114 0.405 0.032 0.406 17768
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17768
22 1 4 "Average Difference" CA 108 1.344 -0.444 1.274 17768
23 1 4 "Average Difference" CB 93 1.345 -0.419 1.285 17768
24 1 4 "Average Difference" HN 101 0.550 -0.077 0.547 17768
25 1 5 "Average Difference" N 99 2.938 0.583 2.895 17768
26 1 5 "Average Difference" HA 114 0.405 0.002 0.407 17768
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17768
28 1 5 "Average Difference" CA 108 1.262 -0.290 1.234 17768
29 1 5 "Average Difference" CB 93 1.381 -0.412 1.325 17768
30 1 5 "Average Difference" HN 101 0.504 -0.062 0.502 17768
31 1 6 "Average Difference" N 99 3.105 0.642 3.053 17768
32 1 6 "Average Difference" HA 114 0.424 0.047 0.423 17768
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17768
34 1 6 "Average Difference" CA 108 1.305 -0.403 1.247 17768
35 1 6 "Average Difference" CB 93 1.445 -0.381 1.402 17768
36 1 6 "Average Difference" HN 101 0.543 -0.066 0.542 17768
37 1 7 "Average Difference" N 99 3.260 1.124 3.076 17768
38 1 7 "Average Difference" HA 114 0.410 0.033 0.410 17768
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17768
40 1 7 "Average Difference" CA 108 1.350 -0.322 1.317 17768
41 1 7 "Average Difference" CB 93 1.394 -0.406 1.341 17768
42 1 7 "Average Difference" HN 101 0.503 -0.078 0.499 17768
43 1 8 "Average Difference" N 99 3.110 0.943 2.979 17768
44 1 8 "Average Difference" HA 114 0.423 0.026 0.424 17768
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17768
46 1 8 "Average Difference" CA 108 1.235 -0.337 1.193 17768
47 1 8 "Average Difference" CB 93 1.479 -0.503 1.399 17768
48 1 8 "Average Difference" HN 101 0.564 -0.063 0.563 17768
49 1 9 "Average Difference" N 99 3.304 0.852 3.208 17768
50 1 9 "Average Difference" HA 114 0.412 0.037 0.412 17768
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17768
52 1 9 "Average Difference" CA 108 1.384 -0.366 1.341 17768
53 1 9 "Average Difference" CB 93 1.327 -0.331 1.292 17768
54 1 9 "Average Difference" HN 101 0.511 -0.080 0.508 17768
55 1 10 "Average Difference" N 99 2.874 0.539 2.837 17768
56 1 10 "Average Difference" HA 114 0.410 0.008 0.412 17768
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17768
58 1 10 "Average Difference" CA 108 1.343 -0.383 1.293 17768
59 1 10 "Average Difference" CB 93 1.531 -0.514 1.451 17768
60 1 10 "Average Difference" HN 101 0.525 -0.085 0.520 17768
61 1 11 "Average Difference" N 99 3.166 0.810 3.076 17768
62 1 11 "Average Difference" HA 114 0.415 0.015 0.417 17768
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17768
64 1 11 "Average Difference" CA 108 1.248 -0.296 1.218 17768
65 1 11 "Average Difference" CB 93 1.405 -0.452 1.338 17768
66 1 11 "Average Difference" HN 101 0.556 -0.052 0.557 17768
67 1 12 "Average Difference" N 99 3.176 0.831 3.080 17768
68 1 12 "Average Difference" HA 114 0.397 0.015 0.398 17768
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17768
70 1 12 "Average Difference" CA 108 1.291 -0.353 1.247 17768
71 1 12 "Average Difference" CB 93 1.485 -0.523 1.398 17768
72 1 12 "Average Difference" HN 101 0.556 -0.028 0.558 17768
73 1 13 "Average Difference" N 99 3.560 0.558 3.534 17768
74 1 13 "Average Difference" HA 114 0.378 0.025 0.379 17768
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17768
76 1 13 "Average Difference" CA 108 1.305 -0.330 1.269 17768
77 1 13 "Average Difference" CB 93 1.496 -0.401 1.449 17768
78 1 13 "Average Difference" HN 101 0.537 -0.089 0.532 17768
79 1 14 "Average Difference" N 99 3.307 0.887 3.203 17768
80 1 14 "Average Difference" HA 114 0.413 0.025 0.414 17768
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17768
82 1 14 "Average Difference" CA 108 1.265 -0.421 1.198 17768
83 1 14 "Average Difference" CB 93 1.489 -0.476 1.419 17768
84 1 14 "Average Difference" HN 101 0.573 -0.079 0.570 17768
85 1 15 "Average Difference" N 99 3.133 0.627 3.086 17768
86 1 15 "Average Difference" HA 114 0.409 0.022 0.410 17768
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17768
88 1 15 "Average Difference" CA 108 1.290 -0.333 1.253 17768
89 1 15 "Average Difference" CB 93 1.512 -0.455 1.450 17768
90 1 15 "Average Difference" HN 101 0.498 -0.066 0.496 17768
91 1 16 "Average Difference" N 99 3.048 0.793 2.958 17768
92 1 16 "Average Difference" HA 114 0.419 0.030 0.420 17768
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17768
94 1 16 "Average Difference" CA 108 1.163 -0.383 1.103 17768
95 1 16 "Average Difference" CB 93 1.317 -0.485 1.231 17768
96 1 16 "Average Difference" HN 101 0.538 -0.050 0.538 17768
97 1 17 "Average Difference" N 99 3.228 0.796 3.145 17768
98 1 17 "Average Difference" HA 114 0.396 0.026 0.397 17768
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17768
100 1 17 "Average Difference" CA 108 1.301 -0.362 1.256 17768
101 1 17 "Average Difference" CB 93 1.424 -0.512 1.336 17768
102 1 17 "Average Difference" HN 101 0.537 -0.073 0.535 17768
103 1 18 "Average Difference" N 99 3.223 0.660 3.171 17768
104 1 18 "Average Difference" HA 114 0.428 0.010 0.430 17768
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17768
106 1 18 "Average Difference" CA 108 1.188 -0.371 1.134 17768
107 1 18 "Average Difference" CB 93 1.455 -0.484 1.380 17768
108 1 18 "Average Difference" HN 101 0.581 -0.042 0.583 17768
109 1 19 "Average Difference" N 99 3.215 0.437 3.201 17768
110 1 19 "Average Difference" HA 114 0.412 -0.002 0.413 17768
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17768
112 1 19 "Average Difference" CA 108 1.286 -0.413 1.223 17768
113 1 19 "Average Difference" CB 93 1.531 -0.514 1.450 17768
114 1 19 "Average Difference" HN 101 0.578 -0.102 0.572 17768
115 1 20 "Average Difference" N 99 3.042 0.711 2.973 17768
116 1 20 "Average Difference" HA 114 0.405 0.017 0.406 17768
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17768
118 1 20 "Average Difference" CA 108 1.223 -0.331 1.183 17768
119 1 20 "Average Difference" CB 93 1.397 -0.459 1.326 17768
120 1 20 "Average Difference" HN 101 0.536 -0.067 0.534 17768
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 17768
_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 6 6 TRP HA H 3 4.240 4.240 4.787 -0.547 17768
2 1 . 1 1 6 6 TRP CB C 3 29.900 29.900 30.169 -0.269 17768
3 1 . 1 1 8 8 LEU CA C 5 57.800 57.800 56.988 0.812 17768
4 1 . 1 1 8 8 LEU CB C 5 39.700 39.700 41.253 -1.553 17768
5 1 . 1 1 9 9 ALA N N 6 122.500 122.500 121.478 1.022 17768
6 1 . 1 1 9 9 ALA HA H 6 2.980 2.980 4.022 -1.042 17768
7 1 . 1 1 9 9 ALA CA C 6 54.700 54.700 55.154 -0.454 17768
8 1 . 1 1 9 9 ALA CB C 6 18.800 18.800 17.985 0.815 17768
9 1 . 1 1 9 9 ALA H H 6 8.150 8.150 8.123 0.027 17768
10 1 . 1 1 10 10 SER N N 7 112.300 112.300 114.266 -1.966 17768
11 1 . 1 1 10 10 SER HA H 7 3.660 3.660 4.149 -0.489 17768
12 1 . 1 1 10 10 SER CA C 7 62.300 62.300 61.437 0.863 17768
13 1 . 1 1 10 10 SER H H 7 7.910 7.910 7.957 -0.047 17768
14 1 . 1 1 11 11 ARG N N 8 122.300 122.300 120.684 1.616 17768
15 1 . 1 1 11 11 ARG HA H 8 3.950 3.950 4.051 -0.101 17768
16 1 . 1 1 11 11 ARG CA C 8 58.600 58.600 57.929 0.671 17768
17 1 . 1 1 11 11 ARG CB C 8 29.800 29.800 29.982 -0.183 17768
18 1 . 1 1 11 11 ARG H H 8 7.390 7.390 7.661 -0.271 17768
19 1 . 1 1 12 12 ALA N N 9 121.500 121.500 122.725 -1.225 17768
20 1 . 1 1 12 12 ALA HA H 9 3.870 3.870 3.763 0.107 17768
21 1 . 1 1 12 12 ALA CA C 9 55.000 55.000 54.358 0.642 17768
22 1 . 1 1 12 12 ALA CB C 9 19.200 19.200 17.112 2.088 17768
23 1 . 1 1 12 12 ALA H H 9 7.720 7.720 7.985 -0.265 17768
24 1 . 1 1 13 13 LEU N N 10 119.000 119.000 118.634 0.366 17768
25 1 . 1 1 13 13 LEU HA H 10 2.910 2.910 3.947 -1.037 17768
26 1 . 1 1 13 13 LEU CA C 10 57.600 57.600 57.476 0.124 17768
27 1 . 1 1 13 13 LEU CB C 10 40.000 40.000 40.149 -0.149 17768
28 1 . 1 1 13 13 LEU H H 10 7.940 7.940 7.351 0.589 17768
29 1 . 1 1 14 14 GLN N N 11 119.300 119.300 119.130 0.170 17768
30 1 . 1 1 14 14 GLN HA H 11 3.350 3.350 3.900 -0.550 17768
31 1 . 1 1 14 14 GLN CA C 11 60.700 60.700 58.627 2.073 17768
32 1 . 1 1 14 14 GLN CB C 11 28.000 28.000 28.103 -0.103 17768
33 1 . 1 1 14 14 GLN H H 11 7.390 7.390 8.123 -0.733 17768
34 1 . 1 1 15 15 LYS N N 12 116.200 116.200 120.317 -4.117 17768
35 1 . 1 1 15 15 LYS HA H 12 3.620 3.620 4.105 -0.485 17768
36 1 . 1 1 15 15 LYS CA C 12 58.300 58.300 58.838 -0.538 17768
37 1 . 1 1 15 15 LYS CB C 12 31.800 31.800 31.718 0.082 17768
38 1 . 1 1 15 15 LYS H H 12 7.470 7.470 7.494 -0.024 17768
39 1 . 1 1 16 16 ALA N N 13 121.700 121.700 121.914 -0.214 17768
40 1 . 1 1 16 16 ALA HA H 13 4.170 4.170 4.270 -0.100 17768
41 1 . 1 1 16 16 ALA CA C 13 55.400 55.400 55.039 0.361 17768
42 1 . 1 1 16 16 ALA CB C 13 19.600 19.600 18.424 1.176 17768
43 1 . 1 1 16 16 ALA H H 13 8.560 8.560 7.965 0.595 17768
44 1 . 1 1 17 17 THR N N 14 108.700 108.700 115.767 -7.067 17768
45 1 . 1 1 17 17 THR HA H 14 3.650 3.650 4.156 -0.506 17768
46 1 . 1 1 17 17 THR CA C 14 66.500 66.500 66.652 -0.151 17768
47 1 . 1 1 17 17 THR CB C 14 69.300 69.300 68.796 0.504 17768
48 1 . 1 1 17 17 THR H H 14 8.210 8.210 8.042 0.168 17768
49 1 . 1 1 18 18 VAL N N 15 122.600 122.600 121.294 1.306 17768
50 1 . 1 1 18 18 VAL HA H 15 3.400 3.400 3.786 -0.386 17768
51 1 . 1 1 18 18 VAL CA C 15 68.400 68.400 66.359 2.041 17768
52 1 . 1 1 18 18 VAL CB C 15 31.500 31.500 31.490 0.010 17768
53 1 . 1 1 18 18 VAL H H 15 7.570 7.570 8.376 -0.806 17768
54 1 . 1 1 19 19 GLU N N 16 117.400 117.400 120.224 -2.824 17768
55 1 . 1 1 19 19 GLU HA H 16 4.170 4.170 4.124 0.046 17768
56 1 . 1 1 19 19 GLU CA C 16 59.700 59.700 59.629 0.071 17768
57 1 . 1 1 19 19 GLU CB C 16 29.200 29.200 29.447 -0.247 17768
58 1 . 1 1 19 19 GLU H H 16 7.560 7.560 8.241 -0.681 17768
59 1 . 1 1 20 20 ASN N N 17 120.900 120.900 119.259 1.641 17768
60 1 . 1 1 20 20 ASN HA H 17 4.230 4.230 4.661 -0.432 17768
61 1 . 1 1 20 20 ASN CA C 17 57.200 57.200 56.187 1.013 17768
62 1 . 1 1 20 20 ASN CB C 17 37.900 37.900 38.102 -0.202 17768
63 1 . 1 1 20 20 ASN H H 17 8.150 8.150 8.148 0.002 17768
64 1 . 1 1 21 21 LEU N N 18 119.500 119.500 119.765 -0.265 17768
65 1 . 1 1 21 21 LEU HA H 18 3.920 3.920 4.160 -0.240 17768
66 1 . 1 1 21 21 LEU CA C 18 60.100 60.100 57.910 2.190 17768
67 1 . 1 1 21 21 LEU CB C 18 42.600 42.600 41.840 0.760 17768
68 1 . 1 1 21 21 LEU H H 18 8.500 8.500 8.234 0.266 17768
69 1 . 1 1 22 22 GLU N N 19 112.100 112.100 115.826 -3.726 17768
70 1 . 1 1 22 22 GLU HA H 19 4.600 4.600 4.186 0.414 17768
71 1 . 1 1 22 22 GLU CA C 19 58.700 58.700 58.099 0.601 17768
72 1 . 1 1 22 22 GLU CB C 19 30.200 30.200 29.975 0.225 17768
73 1 . 1 1 22 22 GLU H H 19 8.450 8.450 8.079 0.371 17768
74 1 . 1 1 23 23 SER N N 20 110.300 110.300 114.885 -4.585 17768
75 1 . 1 1 23 23 SER HA H 20 4.490 4.490 4.485 0.005 17768
76 1 . 1 1 23 23 SER CA C 20 58.600 58.600 60.135 -1.535 17768
77 1 . 1 1 23 23 SER H H 20 7.570 7.570 7.913 -0.343 17768
78 1 . 1 1 24 24 TYR N N 21 125.300 125.300 124.996 0.304 17768
79 1 . 1 1 24 24 TYR HA H 21 4.580 4.580 4.007 0.573 17768
80 1 . 1 1 24 24 TYR CA C 21 57.700 57.700 55.939 1.761 17768
81 1 . 1 1 24 24 TYR CB C 21 37.400 37.400 37.616 -0.216 17768
82 1 . 1 1 24 24 TYR H H 21 7.560 7.560 8.079 -0.519 17768
83 1 . 1 1 25 25 GLN N N 22 130.000 130.000 127.786 2.214 17768
84 1 . 1 1 25 25 GLN HA H 22 3.850 3.850 3.868 -0.018 17768
85 1 . 1 1 25 25 GLN CA C 22 60.800 60.800 59.653 1.147 17768
86 1 . 1 1 25 25 GLN CB C 22 26.300 26.300 25.889 0.411 17768
87 1 . 1 1 25 25 GLN H H 22 8.710 8.710 8.168 0.542 17768
88 1 . 1 1 26 26 PRO HA H 23 4.010 4.010 4.211 -0.201 17768
89 1 . 1 1 27 27 LEU N N 24 112.400 112.400 117.784 -5.384 17768
90 1 . 1 1 27 27 LEU HA H 24 4.210 4.210 4.168 0.042 17768
91 1 . 1 1 27 27 LEU CA C 24 57.300 57.300 57.137 0.163 17768
92 1 . 1 1 27 27 LEU CB C 24 43.100 43.100 41.947 1.153 17768
93 1 . 1 1 27 27 LEU H H 24 6.720 6.720 7.696 -0.976 17768
94 1 . 1 1 28 28 MET N N 25 116.900 116.900 116.008 0.892 17768
95 1 . 1 1 28 28 MET HA H 25 4.510 4.510 4.248 0.262 17768
96 1 . 1 1 28 28 MET CA C 25 55.900 55.900 57.930 -2.030 17768
97 1 . 1 1 28 28 MET CB C 25 29.100 29.100 32.108 -3.008 17768
98 1 . 1 1 28 28 MET H H 25 7.620 7.620 7.507 0.113 17768
99 1 . 1 1 29 29 GLU N N 26 116.100 116.100 117.315 -1.215 17768
100 1 . 1 1 29 29 GLU HA H 26 4.140 4.140 4.220 -0.080 17768
101 1 . 1 1 29 29 GLU CA C 26 58.400 58.400 57.785 0.615 17768
102 1 . 1 1 29 29 GLU CB C 26 30.300 30.300 29.667 0.633 17768
103 1 . 1 1 29 29 GLU H H 26 8.060 8.060 7.869 0.191 17768
104 1 . 1 1 30 30 MET N N 27 115.100 115.100 117.386 -2.286 17768
105 1 . 1 1 30 30 MET HA H 27 4.450 4.450 4.502 -0.052 17768
106 1 . 1 1 30 30 MET CA C 27 57.000 57.000 56.089 0.911 17768
107 1 . 1 1 30 30 MET CB C 27 36.500 36.500 34.483 2.017 17768
108 1 . 1 1 30 30 MET H H 27 7.920 7.920 7.544 0.376 17768
109 1 . 1 1 31 31 VAL N N 28 107.100 107.100 115.296 -8.196 17768
110 1 . 1 1 31 31 VAL HA H 28 4.710 4.710 4.530 0.180 17768
111 1 . 1 1 31 31 VAL CA C 28 58.600 58.600 60.052 -1.452 17768
112 1 . 1 1 31 31 VAL CB C 28 36.500 36.500 34.489 2.011 17768
113 1 . 1 1 31 31 VAL H H 28 7.180 7.180 7.911 -0.731 17768
114 1 . 1 1 32 32 ASN N N 29 115.300 115.300 122.305 -7.005 17768
115 1 . 1 1 32 32 ASN HA H 29 4.700 4.700 4.842 -0.142 17768
116 1 . 1 1 32 32 ASN CA C 29 55.800 55.800 53.910 1.890 17768
117 1 . 1 1 32 32 ASN CB C 29 40.400 40.400 39.837 0.563 17768
118 1 . 1 1 32 32 ASN H H 29 8.670 8.670 8.817 -0.147 17768
119 1 . 1 1 33 33 GLN N N 30 108.900 108.900 119.090 -10.190 17768
120 1 . 1 1 33 33 GLN HA H 30 4.620 4.620 4.583 0.037 17768
121 1 . 1 1 33 33 GLN CA C 30 55.600 55.600 54.775 0.825 17768
122 1 . 1 1 33 33 GLN CB C 30 30.400 30.400 28.910 1.490 17768
123 1 . 1 1 33 33 GLN H H 30 7.190 7.190 8.328 -1.138 17768
124 1 . 1 1 34 34 VAL N N 31 122.000 122.000 120.936 1.064 17768
125 1 . 1 1 34 34 VAL HA H 31 4.910 4.910 4.880 0.030 17768
126 1 . 1 1 34 34 VAL CA C 31 62.600 62.600 61.760 0.840 17768
127 1 . 1 1 34 34 VAL CB C 31 33.800 33.800 31.762 2.038 17768
128 1 . 1 1 34 34 VAL H H 31 8.860 8.860 7.801 1.059 17768
129 1 . 1 1 35 35 THR N N 32 119.200 119.200 122.748 -3.548 17768
130 1 . 1 1 35 35 THR HA H 32 4.900 4.900 4.727 0.173 17768
131 1 . 1 1 35 35 THR CA C 32 59.100 59.100 60.155 -1.055 17768
132 1 . 1 1 35 35 THR CB C 32 70.100 70.100 71.145 -1.045 17768
133 1 . 1 1 35 35 THR H H 32 8.910 8.910 8.786 0.124 17768
134 1 . 1 1 36 36 GLU H H 33 8.200 8.200 8.878 -0.678 17768
135 1 . 1 1 38 38 PRO HA H 35 4.120 4.120 4.556 -0.436 17768
136 1 . 1 1 39 39 GLY N N 36 111.100 111.100 110.206 0.894 17768
137 1 . 1 1 39 39 GLY CA C 36 44.700 44.700 45.636 -0.936 17768
138 1 . 1 1 39 39 GLY H H 36 8.570 8.570 8.631 -0.061 17768
139 1 . 1 1 40 40 LYS HA H 37 3.820 3.820 4.221 -0.401 17768
140 1 . 1 1 40 40 LYS CA C 37 58.800 58.800 58.014 0.786 17768
141 1 . 1 1 40 40 LYS CB C 37 32.600 32.600 31.949 0.651 17768
142 1 . 1 1 40 40 LYS H H 37 7.070 7.070 8.308 -1.237 17768
143 1 . 1 1 41 41 ASP N N 38 116.100 116.100 117.110 -1.010 17768
144 1 . 1 1 41 41 ASP HA H 38 4.570 4.570 4.672 -0.102 17768
145 1 . 1 1 41 41 ASP CA C 38 53.500 53.500 53.173 0.327 17768
146 1 . 1 1 41 41 ASP CB C 38 40.800 40.800 40.272 0.528 17768
147 1 . 1 1 41 41 ASP H H 38 8.250 8.250 8.248 0.002 17768
148 1 . 1 1 42 42 ASP N N 39 123.300 123.300 121.652 1.648 17768
149 1 . 1 1 42 42 ASP HA H 39 4.450 4.450 4.760 -0.310 17768
150 1 . 1 1 42 42 ASP CA C 39 53.500 53.500 52.197 1.302 17768
151 1 . 1 1 42 42 ASP CB C 39 39.300 39.300 41.168 -1.868 17768
152 1 . 1 1 42 42 ASP H H 39 7.070 7.070 7.415 -0.345 17768
153 1 . 1 1 43 43 PRO HA H 40 4.300 4.300 4.295 0.005 17768
154 1 . 1 1 43 43 PRO CA C 40 62.500 62.500 62.844 -0.344 17768
155 1 . 1 1 43 43 PRO CB C 40 32.100 32.100 32.332 -0.233 17768
156 1 . 1 1 44 44 TYR N N 41 122.700 122.700 120.546 2.154 17768
157 1 . 1 1 44 44 TYR HA H 41 4.600 4.600 4.765 -0.165 17768
158 1 . 1 1 44 44 TYR CA C 41 55.100 55.100 56.190 -1.090 17768
159 1 . 1 1 44 44 TYR CB C 41 37.500 37.500 38.288 -0.788 17768
160 1 . 1 1 44 44 TYR H H 41 8.200 8.200 8.376 -0.176 17768
161 1 . 1 1 45 45 PRO HA H 42 5.600 5.600 5.093 0.507 17768
162 1 . 1 1 45 45 PRO CA C 42 62.500 62.500 62.598 -0.098 17768
163 1 . 1 1 45 45 PRO CB C 42 36.100 36.100 33.249 2.851 17768
164 1 . 1 1 46 46 TYR N N 43 113.000 113.000 116.399 -3.399 17768
165 1 . 1 1 46 46 TYR HA H 43 5.160 5.160 4.811 0.349 17768
166 1 . 1 1 46 46 TYR CA C 43 57.700 57.700 57.156 0.544 17768
167 1 . 1 1 46 46 TYR CB C 43 40.900 40.900 39.868 1.032 17768
168 1 . 1 1 46 46 TYR H H 43 8.640 8.640 8.739 -0.099 17768
169 1 . 1 1 47 47 VAL N N 44 118.300 118.300 120.143 -1.843 17768
170 1 . 1 1 47 47 VAL HA H 44 5.500 5.500 4.857 0.643 17768
171 1 . 1 1 47 47 VAL CA C 44 60.800 60.800 60.499 0.301 17768
172 1 . 1 1 47 47 VAL CB C 44 35.300 35.300 35.632 -0.332 17768
173 1 . 1 1 47 47 VAL H H 44 8.210 8.210 8.204 0.006 17768
174 1 . 1 1 48 48 VAL N N 45 127.100 127.100 122.475 4.625 17768
175 1 . 1 1 48 48 VAL HA H 45 5.510 5.510 5.357 0.153 17768
176 1 . 1 1 48 48 VAL CA C 45 59.700 59.700 59.044 0.656 17768
177 1 . 1 1 48 48 VAL CB C 45 35.300 35.300 35.224 0.076 17768
178 1 . 1 1 48 48 VAL H H 45 9.960 9.960 8.737 1.223 17768
179 1 . 1 1 49 49 ILE N N 46 126.500 126.500 123.909 2.591 17768
180 1 . 1 1 49 49 ILE HA H 46 3.990 3.990 4.763 -0.772 17768
181 1 . 1 1 49 49 ILE CA C 46 60.900 60.900 60.214 0.687 17768
182 1 . 1 1 49 49 ILE CB C 46 38.200 38.200 37.842 0.358 17768
183 1 . 1 1 49 49 ILE H H 46 8.160 8.160 8.151 0.009 17768
184 1 . 1 1 50 50 GLY N N 47 116.200 116.200 113.846 2.354 17768
185 1 . 1 1 50 50 GLY CA C 47 44.900 44.900 45.452 -0.552 17768
186 1 . 1 1 50 50 GLY H H 47 8.100 8.100 8.657 -0.557 17768
187 1 . 1 1 51 51 ASP N N 48 118.000 118.000 118.944 -0.944 17768
188 1 . 1 1 51 51 ASP HA H 48 4.490 4.490 5.013 -0.523 17768
189 1 . 1 1 51 51 ASP CA C 48 54.900 54.900 53.120 1.780 17768
190 1 . 1 1 51 51 ASP CB C 48 42.500 42.500 43.996 -1.496 17768
191 1 . 1 1 51 51 ASP H H 48 8.150 8.150 8.306 -0.156 17768
192 1 . 1 1 52 52 GLN N N 49 118.000 118.000 122.581 -4.581 17768
193 1 . 1 1 52 52 GLN HA H 49 4.910 4.910 4.585 0.325 17768
194 1 . 1 1 52 52 GLN CA C 49 55.000 55.000 55.362 -0.362 17768
195 1 . 1 1 52 52 GLN CB C 49 31.100 31.100 30.429 0.671 17768
196 1 . 1 1 52 52 GLN H H 49 8.400 8.400 8.529 -0.129 17768
197 1 . 1 1 53 53 SER N N 50 115.900 115.900 118.938 -3.038 17768
198 1 . 1 1 53 53 SER CA C 50 58.200 58.200 58.586 -0.386 17768
199 1 . 1 1 53 53 SER CB C 50 64.700 64.700 63.122 1.578 17768
200 1 . 1 1 53 53 SER H H 50 8.770 8.770 8.662 0.108 17768
201 1 . 1 1 56 56 PRO HA H 53 4.300 4.300 4.543 -0.243 17768
202 1 . 1 1 57 57 PHE N N 54 126.200 126.200 122.462 3.738 17768
203 1 . 1 1 57 57 PHE HA H 54 4.860 4.860 4.740 0.120 17768
204 1 . 1 1 57 57 PHE CA C 54 53.100 53.100 56.906 -3.806 17768
205 1 . 1 1 57 57 PHE CB C 54 40.400 40.400 41.117 -0.716 17768
206 1 . 1 1 57 57 PHE H H 54 8.620 8.620 8.159 0.461 17768
207 1 . 1 1 59 59 THR HA H 56 4.910 4.910 4.473 0.437 17768
208 1 . 1 1 60 60 LYS N N 57 123.900 123.900 123.733 0.167 17768
209 1 . 1 1 60 60 LYS HA H 57 4.670 4.670 4.379 0.291 17768
210 1 . 1 1 60 60 LYS CA C 57 56.900 56.900 56.211 0.689 17768
211 1 . 1 1 60 60 LYS CB C 57 31.400 31.400 32.359 -0.959 17768
212 1 . 1 1 60 60 LYS H H 57 8.760 8.760 8.592 0.168 17768
213 1 . 1 1 61 61 SER N N 58 113.900 113.900 116.449 -2.549 17768
214 1 . 1 1 61 61 SER HA H 58 4.690 4.690 4.465 0.225 17768
215 1 . 1 1 61 61 SER CA C 58 55.000 55.000 58.187 -3.187 17768
216 1 . 1 1 61 61 SER CB C 58 63.000 63.000 63.363 -0.363 17768
217 1 . 1 1 61 61 SER H H 58 8.400 8.400 8.277 0.123 17768
218 1 . 1 1 66 66 ASN N N 63 117.100 117.100 118.250 -1.150 17768
219 1 . 1 1 66 66 ASN HA H 63 5.660 5.660 5.305 0.355 17768
220 1 . 1 1 66 66 ASN CA C 63 53.100 53.100 52.493 0.607 17768
221 1 . 1 1 66 66 ASN CB C 63 41.400 41.400 41.514 -0.114 17768
222 1 . 1 1 66 66 ASN H H 63 8.260 8.260 8.001 0.259 17768
223 1 . 1 1 67 67 ILE N N 64 120.300 120.300 121.460 -1.160 17768
224 1 . 1 1 67 67 ILE HA H 64 4.620 4.620 4.501 0.119 17768
225 1 . 1 1 67 67 ILE CA C 64 61.300 61.300 60.004 1.296 17768
226 1 . 1 1 67 67 ILE CB C 64 43.200 43.200 40.005 3.195 17768
227 1 . 1 1 67 67 ILE H H 64 8.910 8.910 8.765 0.145 17768
228 1 . 1 1 68 68 THR N N 65 124.100 124.100 121.758 2.342 17768
229 1 . 1 1 68 68 THR HA H 65 5.490 5.490 4.833 0.657 17768
230 1 . 1 1 68 68 THR CA C 65 61.900 61.900 61.003 0.897 17768
231 1 . 1 1 68 68 THR CB C 65 70.200 70.200 70.276 -0.076 17768
232 1 . 1 1 68 68 THR H H 65 8.940 8.940 8.404 0.536 17768
233 1 . 1 1 69 69 MET N N 66 126.700 126.700 125.944 0.756 17768
234 1 . 1 1 69 69 MET HA H 66 5.050 5.050 4.844 0.206 17768
235 1 . 1 1 69 69 MET CA C 66 55.100 55.100 54.637 0.463 17768
236 1 . 1 1 69 69 MET CB C 66 38.100 38.100 37.338 0.762 17768
237 1 . 1 1 69 69 MET H H 66 9.200 9.200 9.039 0.161 17768
238 1 . 1 1 70 70 ASP N N 67 123.500 123.500 121.700 1.800 17768
239 1 . 1 1 70 70 ASP HA H 67 5.410 5.410 5.270 0.140 17768
240 1 . 1 1 70 70 ASP CA C 67 53.000 53.000 52.779 0.221 17768
241 1 . 1 1 70 70 ASP CB C 67 43.500 43.500 45.094 -1.594 17768
242 1 . 1 1 70 70 ASP H H 67 7.720 7.720 8.169 -0.449 17768
243 1 . 1 1 71 71 PHE N N 68 116.900 116.900 117.664 -0.764 17768
244 1 . 1 1 71 71 PHE HA H 68 4.830 4.830 5.212 -0.382 17768
245 1 . 1 1 71 71 PHE CA C 68 57.000 57.000 55.300 1.700 17768
246 1 . 1 1 71 71 PHE CB C 68 43.000 43.000 41.371 1.629 17768
247 1 . 1 1 71 71 PHE H H 68 9.130 9.130 8.784 0.346 17768
248 1 . 1 1 72 72 HIS N N 69 120.400 120.400 120.756 -0.356 17768
249 1 . 1 1 72 72 HIS HA H 69 5.430 5.430 4.876 0.554 17768
250 1 . 1 1 72 72 HIS CA C 69 55.200 55.200 54.529 0.671 17768
251 1 . 1 1 72 72 HIS CB C 69 35.100 35.100 31.492 3.608 17768
252 1 . 1 1 72 72 HIS H H 69 9.350 9.350 9.275 0.075 17768
253 1 . 1 1 73 73 VAL N N 70 124.900 124.900 122.075 2.825 17768
254 1 . 1 1 73 73 VAL HA H 70 4.440 4.440 4.368 0.072 17768
255 1 . 1 1 73 73 VAL CA C 70 62.000 62.000 60.608 1.392 17768
256 1 . 1 1 73 73 VAL CB C 70 34.300 34.300 33.678 0.622 17768
257 1 . 1 1 73 73 VAL H H 70 9.610 9.610 8.422 1.188 17768
258 1 . 1 1 74 74 TRP N N 71 129.500 129.500 126.572 2.928 17768
259 1 . 1 1 74 74 TRP HA H 71 4.940 4.940 5.154 -0.214 17768
260 1 . 1 1 74 74 TRP CA C 71 55.800 55.800 55.448 0.352 17768
261 1 . 1 1 74 74 TRP CB C 71 31.000 31.000 32.946 -1.946 17768
262 1 . 1 1 74 74 TRP H H 71 8.790 8.790 8.942 -0.152 17768
263 1 . 1 1 75 75 GLY CA C 72 44.400 44.400 44.525 -0.125 17768
264 1 . 1 1 76 76 GLY N N 73 105.500 105.500 108.604 -3.104 17768
265 1 . 1 1 76 76 GLY CA C 73 44.800 44.800 45.153 -0.353 17768
266 1 . 1 1 76 76 GLY H H 73 8.710 8.710 8.449 0.261 17768
267 1 . 1 1 77 77 THR N N 74 114.200 114.200 114.646 -0.446 17768
268 1 . 1 1 77 77 THR HA H 74 4.460 4.460 4.379 0.081 17768
269 1 . 1 1 77 77 THR CA C 74 62.700 62.700 62.957 -0.257 17768
270 1 . 1 1 77 77 THR CB C 74 70.000 70.000 69.619 0.381 17768
271 1 . 1 1 77 77 THR H H 74 9.010 9.010 8.141 0.869 17768
272 1 . 1 1 78 78 THR N N 75 110.800 110.800 115.477 -4.677 17768
273 1 . 1 1 78 78 THR CA C 75 59.100 59.100 60.690 -1.590 17768
274 1 . 1 1 78 78 THR H H 75 7.960 7.960 7.774 0.186 17768
275 1 . 1 1 79 79 ARG CA C 76 60.300 60.300 59.237 1.063 17768
276 1 . 1 1 79 79 ARG CB C 76 29.600 29.600 29.888 -0.288 17768
277 1 . 1 1 80 80 ALA N N 77 120.500 120.500 120.820 -0.320 17768
278 1 . 1 1 80 80 ALA HA H 77 4.020 4.020 4.187 -0.167 17768
279 1 . 1 1 80 80 ALA CA C 77 55.400 55.400 54.568 0.832 17768
280 1 . 1 1 80 80 ALA CB C 77 18.700 18.700 18.206 0.494 17768
281 1 . 1 1 80 80 ALA H H 77 8.290 8.290 8.283 0.007 17768
282 1 . 1 1 81 81 GLU N N 78 118.800 118.800 119.087 -0.287 17768
283 1 . 1 1 81 81 GLU HA H 78 4.040 4.040 4.080 -0.040 17768
284 1 . 1 1 81 81 GLU CA C 78 59.700 59.700 59.077 0.623 17768
285 1 . 1 1 81 81 GLU CB C 78 30.500 30.500 29.247 1.253 17768
286 1 . 1 1 81 81 GLU H H 78 7.930 7.930 8.019 -0.089 17768
287 1 . 1 1 82 82 ALA N N 79 119.700 119.700 121.341 -1.641 17768
288 1 . 1 1 82 82 ALA HA H 79 3.880 3.880 4.048 -0.168 17768
289 1 . 1 1 82 82 ALA CA C 79 55.500 55.500 55.401 0.099 17768
290 1 . 1 1 82 82 ALA CB C 79 18.400 18.400 18.275 0.125 17768
291 1 . 1 1 82 82 ALA H H 79 7.470 7.470 7.782 -0.312 17768
292 1 . 1 1 83 83 GLN N N 80 120.700 120.700 118.029 2.671 17768
293 1 . 1 1 83 83 GLN HA H 80 3.830 3.830 4.086 -0.256 17768
294 1 . 1 1 83 83 GLN CA C 80 59.200 59.200 58.546 0.654 17768
295 1 . 1 1 83 83 GLN CB C 80 28.700 28.700 28.427 0.273 17768
296 1 . 1 1 83 83 GLN H H 80 8.690 8.690 7.928 0.762 17768
297 1 . 1 1 84 84 ASP N N 81 123.100 123.100 121.490 1.610 17768
298 1 . 1 1 84 84 ASP HA H 81 4.370 4.370 4.416 -0.046 17768
299 1 . 1 1 84 84 ASP CA C 81 58.500 58.500 57.627 0.873 17768
300 1 . 1 1 84 84 ASP CB C 81 40.300 40.300 40.781 -0.481 17768
301 1 . 1 1 84 84 ASP H H 81 8.480 8.480 8.080 0.400 17768
302 1 . 1 1 85 85 ILE N N 82 119.300 119.300 116.755 2.545 17768
303 1 . 1 1 85 85 ILE HA H 82 3.540 3.540 3.775 -0.235 17768
304 1 . 1 1 85 85 ILE CA C 82 66.700 66.700 65.070 1.630 17768
305 1 . 1 1 85 85 ILE CB C 82 38.500 38.500 37.582 0.918 17768
306 1 . 1 1 85 85 ILE H H 82 8.340 8.340 8.323 0.017 17768
307 1 . 1 1 86 86 SER N N 83 114.800 114.800 116.937 -2.137 17768
308 1 . 1 1 86 86 SER HA H 83 4.560 4.560 4.077 0.483 17768
309 1 . 1 1 86 86 SER CA C 83 63.500 63.500 62.061 1.439 17768
310 1 . 1 1 86 86 SER H H 83 7.880 7.880 8.014 -0.134 17768
311 1 . 1 1 87 87 SER N N 84 117.400 117.400 118.107 -0.707 17768
312 1 . 1 1 87 87 SER HA H 84 4.400 4.400 4.193 0.207 17768
313 1 . 1 1 87 87 SER CA C 84 58.100 58.100 61.715 -3.615 17768
314 1 . 1 1 87 87 SER H H 84 8.320 8.320 8.218 0.102 17768
315 1 . 1 1 88 88 ARG N N 85 121.100 121.100 121.628 -0.528 17768
316 1 . 1 1 88 88 ARG HA H 85 4.090 4.090 4.265 -0.175 17768
317 1 . 1 1 88 88 ARG CA C 85 58.700 58.700 58.473 0.227 17768
318 1 . 1 1 88 88 ARG H H 85 7.780 7.780 8.232 -0.452 17768
319 1 . 1 1 89 89 VAL N N 86 121.200 121.200 120.743 0.457 17768
320 1 . 1 1 89 89 VAL HA H 86 3.360 3.360 3.634 -0.274 17768
321 1 . 1 1 89 89 VAL CA C 86 67.500 67.500 66.285 1.215 17768
322 1 . 1 1 89 89 VAL CB C 86 31.000 31.000 31.571 -0.571 17768
323 1 . 1 1 89 89 VAL H H 86 8.190 8.190 8.085 0.105 17768
324 1 . 1 1 90 90 LEU N N 87 117.500 117.500 119.978 -2.478 17768
325 1 . 1 1 90 90 LEU HA H 87 3.690 3.690 3.934 -0.244 17768
326 1 . 1 1 90 90 LEU CA C 87 58.300 58.300 58.274 0.026 17768
327 1 . 1 1 90 90 LEU CB C 87 41.300 41.300 40.997 0.303 17768
328 1 . 1 1 90 90 LEU H H 87 7.330 7.330 8.013 -0.683 17768
329 1 . 1 1 91 91 GLU N N 88 118.500 118.500 119.743 -1.243 17768
330 1 . 1 1 91 91 GLU HA H 88 3.620 3.620 3.894 -0.274 17768
331 1 . 1 1 91 91 GLU CA C 88 59.100 59.100 58.993 0.107 17768
332 1 . 1 1 91 91 GLU CB C 88 30.600 30.600 29.407 1.193 17768
333 1 . 1 1 91 91 GLU H H 88 7.810 7.810 8.060 -0.250 17768
334 1 . 1 1 92 92 ALA N N 89 121.800 121.800 121.270 0.530 17768
335 1 . 1 1 92 92 ALA HA H 89 3.060 3.060 3.752 -0.692 17768
336 1 . 1 1 92 92 ALA CA C 89 54.400 54.400 54.806 -0.406 17768
337 1 . 1 1 92 92 ALA CB C 89 20.200 20.200 18.769 1.431 17768
338 1 . 1 1 92 92 ALA H H 89 7.820 7.820 7.635 0.185 17768
339 1 . 1 1 93 93 LEU N N 90 113.600 113.600 117.343 -3.743 17768
340 1 . 1 1 93 93 LEU HA H 90 4.020 4.020 4.143 -0.123 17768
341 1 . 1 1 93 93 LEU CA C 90 57.200 57.200 57.681 -0.481 17768
342 1 . 1 1 93 93 LEU CB C 90 43.700 43.700 42.000 1.700 17768
343 1 . 1 1 93 93 LEU H H 90 7.570 7.570 8.080 -0.510 17768
344 1 . 1 1 94 94 THR N N 91 102.400 102.400 109.334 -6.934 17768
345 1 . 1 1 94 94 THR HA H 91 4.510 4.510 4.437 0.073 17768
346 1 . 1 1 94 94 THR CA C 91 61.500 61.500 62.403 -0.903 17768
347 1 . 1 1 94 94 THR CB C 91 71.300 71.300 68.835 2.465 17768
348 1 . 1 1 94 94 THR H H 91 7.280 7.280 7.584 -0.304 17768
349 1 . 1 1 95 95 TYR N N 92 123.600 123.600 123.847 -0.247 17768
350 1 . 1 1 95 95 TYR HA H 92 4.330 4.330 4.354 -0.024 17768
351 1 . 1 1 95 95 TYR CA C 92 59.700 59.700 59.622 0.078 17768
352 1 . 1 1 95 95 TYR CB C 92 37.600 37.600 39.293 -1.693 17768
353 1 . 1 1 95 95 TYR H H 92 7.900 7.900 7.843 0.057 17768
354 1 . 1 1 96 96 LYS N N 93 117.500 117.500 120.034 -2.534 17768
355 1 . 1 1 96 96 LYS HA H 93 4.550 4.550 4.491 0.059 17768
356 1 . 1 1 96 96 LYS CA C 93 53.700 53.700 52.532 1.168 17768
357 1 . 1 1 96 96 LYS CB C 93 33.500 33.500 33.282 0.218 17768
358 1 . 1 1 96 96 LYS H H 93 7.000 7.000 7.458 -0.458 17768
359 1 . 1 1 97 97 PRO HA H 94 4.370 4.370 4.462 -0.092 17768
360 1 . 1 1 97 97 PRO CA C 94 63.600 63.600 62.311 1.289 17768
361 1 . 1 1 97 97 PRO CB C 94 32.700 32.700 32.668 0.032 17768
362 1 . 1 1 98 98 LEU N N 95 125.400 125.400 122.566 2.834 17768
363 1 . 1 1 98 98 LEU HA H 95 4.620 4.620 4.501 0.119 17768
364 1 . 1 1 98 98 LEU CA C 95 53.800 53.800 54.573 -0.773 17768
365 1 . 1 1 98 98 LEU CB C 95 43.600 43.600 40.663 2.937 17768
366 1 . 1 1 98 98 LEU H H 95 8.380 8.380 8.606 -0.226 17768
367 1 . 1 1 99 99 MET N N 96 123.100 123.100 123.198 -0.098 17768
368 1 . 1 1 99 99 MET HA H 96 5.480 5.480 5.255 0.225 17768
369 1 . 1 1 99 99 MET CA C 96 55.200 55.200 54.767 0.433 17768
370 1 . 1 1 99 99 MET CB C 96 37.200 37.200 36.941 0.259 17768
371 1 . 1 1 99 99 MET H H 96 8.480 8.480 8.305 0.175 17768
372 1 . 1 1 100 100 PHE N N 97 122.900 122.900 125.293 -2.393 17768
373 1 . 1 1 100 100 PHE HA H 97 4.390 4.390 4.971 -0.581 17768
374 1 . 1 1 100 100 PHE CA C 97 60.300 60.300 57.672 2.628 17768
375 1 . 1 1 100 100 PHE CB C 97 43.100 43.100 41.589 1.511 17768
376 1 . 1 1 100 100 PHE H H 97 8.640 8.640 9.155 -0.515 17768
377 1 . 1 1 101 101 GLU N N 98 125.300 125.300 125.475 -0.175 17768
378 1 . 1 1 101 101 GLU HA H 98 3.430 3.430 3.684 -0.254 17768
379 1 . 1 1 101 101 GLU CA C 98 58.200 58.200 57.210 0.990 17768
380 1 . 1 1 101 101 GLU CB C 98 28.400 28.400 27.738 0.662 17768
381 1 . 1 1 101 101 GLU H H 98 8.640 8.640 8.807 -0.167 17768
382 1 . 1 1 102 102 GLY N N 99 107.100 107.100 104.908 2.192 17768
383 1 . 1 1 102 102 GLY CA C 99 45.700 45.700 44.735 0.965 17768
384 1 . 1 1 102 102 GLY H H 99 8.250 8.250 7.909 0.341 17768
385 1 . 1 1 103 103 PHE N N 100 120.200 120.200 122.380 -2.180 17768
386 1 . 1 1 103 103 PHE HA H 100 4.730 4.730 4.638 0.092 17768
387 1 . 1 1 103 103 PHE CA C 100 57.900 57.900 56.128 1.772 17768
388 1 . 1 1 103 103 PHE CB C 100 43.000 43.000 40.377 2.623 17768
389 1 . 1 1 103 103 PHE H H 100 8.310 8.310 7.760 0.550 17768
390 1 . 1 1 104 104 THR N N 101 116.100 116.100 119.333 -3.233 17768
391 1 . 1 1 104 104 THR HA H 101 4.970 4.970 4.735 0.235 17768
392 1 . 1 1 104 104 THR CA C 101 61.900 61.900 60.944 0.956 17768
393 1 . 1 1 104 104 THR CB C 101 71.400 71.400 70.424 0.976 17768
394 1 . 1 1 104 104 THR H H 101 8.250 8.250 8.200 0.050 17768
395 1 . 1 1 105 105 PHE N N 102 123.200 123.200 123.195 0.005 17768
396 1 . 1 1 105 105 PHE HA H 102 5.610 5.610 4.941 0.669 17768
397 1 . 1 1 105 105 PHE CA C 102 55.600 55.600 56.069 -0.469 17768
398 1 . 1 1 105 105 PHE CB C 102 42.600 42.600 41.349 1.251 17768
399 1 . 1 1 105 105 PHE H H 102 8.840 8.840 8.243 0.597 17768
400 1 . 1 1 106 106 VAL N N 103 120.000 120.000 122.962 -2.962 17768
401 1 . 1 1 106 106 VAL HA H 103 4.500 4.500 4.432 0.068 17768
402 1 . 1 1 106 106 VAL CA C 103 61.200 61.200 60.950 0.250 17768
403 1 . 1 1 106 106 VAL CB C 103 35.200 35.200 34.155 1.045 17768
404 1 . 1 1 106 106 VAL H H 103 8.460 8.460 8.689 -0.229 17768
405 1 . 1 1 107 107 ALA N N 104 130.400 130.400 130.852 -0.452 17768
406 1 . 1 1 107 107 ALA HA H 104 3.840 3.840 4.581 -0.741 17768
407 1 . 1 1 107 107 ALA CA C 104 52.400 52.400 51.538 0.863 17768
408 1 . 1 1 107 107 ALA CB C 104 17.800 17.800 19.669 -1.869 17768
409 1 . 1 1 107 107 ALA H H 104 9.210 9.210 8.684 0.526 17768
410 1 . 1 1 108 108 LYS N N 105 127.100 127.100 125.240 1.860 17768
411 1 . 1 1 108 108 LYS HA H 105 4.230 4.230 4.469 -0.239 17768
412 1 . 1 1 108 108 LYS CA C 105 56.200 56.200 55.627 0.573 17768
413 1 . 1 1 108 108 LYS H H 105 8.670 8.670 8.587 0.083 17768
414 1 . 1 1 115 115 VAL HA H 112 4.500 4.500 4.352 0.148 17768
415 1 . 1 1 115 115 VAL CA C 112 62.200 62.200 61.563 0.637 17768
416 1 . 1 1 115 115 VAL CB C 112 33.500 33.500 32.884 0.616 17768
417 1 . 1 1 116 116 ILE N N 113 125.200 125.200 126.029 -0.829 17768
418 1 . 1 1 116 116 ILE HA H 113 4.520 4.520 4.434 0.086 17768
419 1 . 1 1 116 116 ILE CA C 113 59.900 59.900 60.062 -0.162 17768
420 1 . 1 1 116 116 ILE CB C 113 41.700 41.700 40.203 1.497 17768
421 1 . 1 1 116 116 ILE H H 113 8.760 8.760 8.277 0.483 17768
422 1 . 1 1 117 117 THR N N 114 119.000 119.000 120.031 -1.031 17768
423 1 . 1 1 117 117 THR HA H 114 4.560 4.560 4.506 0.054 17768
424 1 . 1 1 117 117 THR CA C 114 62.300 62.300 61.951 0.349 17768
425 1 . 1 1 117 117 THR CB C 114 69.400 69.400 69.615 -0.215 17768
426 1 . 1 1 117 117 THR H H 114 8.380 8.380 8.303 0.077 17768
427 1 . 1 1 118 118 ASP N N 115 126.200 126.200 126.126 0.074 17768
428 1 . 1 1 118 118 ASP HA H 115 4.650 4.650 4.857 -0.207 17768
429 1 . 1 1 118 118 ASP CA C 115 54.500 54.500 53.497 1.003 17768
430 1 . 1 1 118 118 ASP CB C 115 43.300 43.300 42.596 0.704 17768
431 1 . 1 1 118 118 ASP H H 115 8.920 8.920 8.514 0.406 17768
432 1 . 1 1 119 119 THR HA H 116 3.990 3.990 4.134 -0.144 17768
433 1 . 1 1 119 119 THR CA C 116 64.800 64.800 64.414 0.386 17768
434 1 . 1 1 119 119 THR CB C 116 69.200 69.200 68.937 0.263 17768
435 1 . 1 1 120 120 ASP N N 117 120.500 120.500 120.349 0.151 17768
436 1 . 1 1 120 120 ASP CA C 117 54.800 54.800 54.035 0.765 17768
437 1 . 1 1 120 120 ASP CB C 117 39.700 39.700 40.966 -1.266 17768
438 1 . 1 1 120 120 ASP H H 117 8.360 8.360 8.118 0.242 17768
439 1 . 1 1 121 121 GLY N N 118 108.600 108.600 108.889 -0.289 17768
440 1 . 1 1 121 121 GLY CA C 118 45.800 45.800 45.219 0.581 17768
441 1 . 1 1 121 121 GLY H H 118 8.310 8.310 7.935 0.375 17768
442 1 . 1 1 122 122 VAL N N 119 118.600 118.600 119.026 -0.426 17768
443 1 . 1 1 122 122 VAL HA H 119 4.200 4.200 4.235 -0.035 17768
444 1 . 1 1 122 122 VAL CA C 119 63.200 63.200 61.333 1.867 17768
445 1 . 1 1 122 122 VAL CB C 119 36.000 36.000 32.804 3.196 17768
446 1 . 1 1 122 122 VAL H H 119 8.500 8.500 7.671 0.829 17768
447 1 . 1 1 123 123 THR N N 120 123.300 123.300 120.524 2.776 17768
448 1 . 1 1 123 123 THR HA H 120 4.030 4.030 4.305 -0.275 17768
449 1 . 1 1 123 123 THR CA C 120 64.800 64.800 62.786 2.014 17768
450 1 . 1 1 123 123 THR CB C 120 68.400 68.400 69.434 -1.034 17768
451 1 . 1 1 123 123 THR H H 120 9.700 9.700 8.288 1.412 17768
452 1 . 1 1 124 124 LYS N N 121 125.500 125.500 127.036 -1.536 17768
453 1 . 1 1 124 124 LYS HA H 121 4.550 4.550 4.547 0.003 17768
454 1 . 1 1 124 124 LYS CA C 121 54.300 54.300 55.372 -1.072 17768
455 1 . 1 1 124 124 LYS H H 121 8.650 8.650 8.519 0.131 17768
456 1 . 1 1 125 125 HIS N N 122 121.400 121.400 121.474 -0.074 17768
457 1 . 1 1 125 125 HIS HA H 122 5.080 5.080 5.155 -0.075 17768
458 1 . 1 1 125 125 HIS CA C 122 51.600 51.600 54.293 -2.693 17768
459 1 . 1 1 125 125 HIS CB C 122 31.600 31.600 32.072 -0.472 17768
460 1 . 1 1 125 125 HIS H H 122 8.580 8.580 8.350 0.230 17768
461 1 . 1 1 126 126 GLY N N 123 114.000 114.000 110.486 3.514 17768
462 1 . 1 1 126 126 GLY CA C 123 44.200 44.200 44.245 -0.045 17768
463 1 . 1 1 126 126 GLY H H 123 10.010 10.010 8.661 1.349 17768
464 1 . 1 1 127 127 ILE N N 124 124.000 124.000 124.643 -0.643 17768
465 1 . 1 1 127 127 ILE HA H 124 4.480 4.480 4.574 -0.094 17768
466 1 . 1 1 127 127 ILE CA C 124 60.700 60.700 59.255 1.445 17768
467 1 . 1 1 127 127 ILE CB C 124 41.100 41.100 39.736 1.364 17768
468 1 . 1 1 127 127 ILE H H 124 8.740 8.740 8.341 0.399 17768
469 1 . 1 1 128 128 ILE N N 125 126.200 126.200 129.964 -3.764 17768
470 1 . 1 1 128 128 ILE HA H 125 4.780 4.780 4.395 0.385 17768
471 1 . 1 1 128 128 ILE CA C 125 60.100 60.100 60.053 0.047 17768
472 1 . 1 1 128 128 ILE CB C 125 41.800 41.800 40.007 1.793 17768
473 1 . 1 1 128 128 ILE H H 125 8.640 8.640 8.832 -0.192 17768
474 1 . 1 1 129 129 LYS N N 126 126.300 126.300 128.415 -2.115 17768
475 1 . 1 1 129 129 LYS HA H 126 5.410 5.410 4.815 0.595 17768
476 1 . 1 1 129 129 LYS CA C 126 55.600 55.600 54.934 0.666 17768
477 1 . 1 1 129 129 LYS CB C 126 36.100 36.100 34.665 1.435 17768
478 1 . 1 1 129 129 LYS H H 126 8.990 8.990 8.450 0.540 17768
479 1 . 1 1 130 130 VAL N N 127 126.300 126.300 123.041 3.259 17768
480 1 . 1 1 130 130 VAL HA H 127 4.560 4.560 4.345 0.215 17768
481 1 . 1 1 130 130 VAL CA C 127 61.100 61.100 60.040 1.060 17768
482 1 . 1 1 130 130 VAL CB C 127 36.000 36.000 35.408 0.592 17768
483 1 . 1 1 130 130 VAL H H 127 8.880 8.880 8.802 0.078 17768
484 1 . 1 1 131 131 ARG N N 128 126.600 126.600 124.304 2.296 17768
485 1 . 1 1 131 131 ARG HA H 128 4.960 4.960 5.013 -0.053 17768
486 1 . 1 1 131 131 ARG CA C 128 55.600 55.600 54.097 1.503 17768
487 1 . 1 1 131 131 ARG CB C 128 32.600 32.600 33.088 -0.488 17768
488 1 . 1 1 131 131 ARG H H 128 8.720 8.720 8.122 0.598 17768
489 1 . 1 1 132 132 PHE N N 129 125.700 125.700 123.002 2.699 17768
490 1 . 1 1 132 132 PHE HA H 129 5.610 5.610 5.524 0.086 17768
491 1 . 1 1 132 132 PHE CA C 129 56.600 56.600 55.971 0.629 17768
492 1 . 1 1 132 132 PHE CB C 129 42.400 42.400 42.356 0.044 17768
493 1 . 1 1 132 132 PHE H H 129 9.720 9.720 9.091 0.629 17768
494 1 . 1 1 133 133 THR N N 130 114.700 114.700 117.527 -2.827 17768
495 1 . 1 1 133 133 THR HA H 130 5.070 5.070 4.986 0.084 17768
496 1 . 1 1 133 133 THR CA C 130 61.800 61.800 61.697 0.103 17768
497 1 . 1 1 133 133 THR CB C 130 71.100 71.100 71.608 -0.508 17768
498 1 . 1 1 133 133 THR H H 130 9.100 9.100 9.232 -0.132 17768
499 1 . 1 1 134 134 ILE N N 131 123.000 123.000 122.868 0.132 17768
500 1 . 1 1 134 134 ILE CA C 131 61.400 61.400 60.071 1.329 17768
501 1 . 1 1 134 134 ILE H H 131 8.400 8.400 8.345 0.055 17768
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