data_25449
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25449
_Entry.PDB_ID 2MYF
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 25449
_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 -1 -1 SER N N -1 115.600 115.600 116.949 -1.349 25449
2 1 1 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.570 -0.160 25449
3 1 1 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.443 -2.443 25449
4 1 1 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.490 -0.290 25449
5 1 1 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.489 -0.589 25449
6 1 1 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.702 -0.032 25449
7 1 1 . 1 1 0 0 HIS N N 0 121.200 121.200 119.512 1.688 25449
8 1 1 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.689 -0.099 25449
9 1 1 . 1 1 0 0 HIS C C 0 174.800 174.800 173.503 1.297 25449
10 1 1 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.255 -0.155 25449
11 1 1 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.718 -1.818 25449
12 1 1 . 1 1 0 0 HIS H H 0 8.730 8.730 8.057 0.673 25449
13 1 1 . 1 1 1 1 MET N N 1 121.800 121.800 123.200 -1.400 25449
14 1 1 . 1 1 1 1 MET HA H 1 4.370 4.370 4.594 -0.224 25449
15 1 1 . 1 1 1 1 MET C C 1 176.300 176.300 176.203 0.097 25449
16 1 1 . 1 1 1 1 MET CA C 1 55.700 55.700 55.094 0.606 25449
17 1 1 . 1 1 1 1 MET CB C 1 32.800 32.800 33.136 -0.336 25449
18 1 1 . 1 1 1 1 MET H H 1 8.450 8.450 8.460 -0.010 25449
19 1 1 . 1 1 2 2 SER N N 2 116.700 116.700 121.026 -4.326 25449
20 1 1 . 1 1 2 2 SER HA H 2 4.370 4.370 4.684 -0.314 25449
21 1 1 . 1 1 2 2 SER C C 2 174.200 174.200 173.425 0.775 25449
22 1 1 . 1 1 2 2 SER CA C 2 58.400 58.400 58.060 0.340 25449
23 1 1 . 1 1 2 2 SER CB C 2 63.800 63.800 63.668 0.132 25449
24 1 1 . 1 1 2 2 SER H H 2 8.410 8.410 8.731 -0.321 25449
25 1 1 . 1 1 3 3 ASP N N 3 122.100 122.100 125.262 -3.162 25449
26 1 1 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.831 -0.281 25449
27 1 1 . 1 1 3 3 ASP C C 3 176.100 176.100 174.700 1.400 25449
28 1 1 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.720 0.780 25449
29 1 1 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.063 0.137 25449
30 1 1 . 1 1 3 3 ASP H H 3 8.340 8.340 8.757 -0.417 25449
31 1 1 . 1 1 4 4 ASN N N 4 119.100 119.100 121.783 -2.683 25449
32 1 1 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.697 -0.117 25449
33 1 1 . 1 1 4 4 ASN C C 4 174.900 174.900 174.215 0.685 25449
34 1 1 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.333 1.367 25449
35 1 1 . 1 1 4 4 ASN CB C 4 38.900 38.900 38.931 -0.031 25449
36 1 1 . 1 1 4 4 ASN H H 4 8.420 8.420 8.196 0.224 25449
37 1 1 . 1 1 5 5 ASN N N 5 118.400 118.400 116.831 1.569 25449
38 1 1 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.548 -0.008 25449
39 1 1 . 1 1 5 5 ASN C C 5 173.900 173.900 174.704 -0.804 25449
40 1 1 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.774 0.426 25449
41 1 1 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.477 1.223 25449
42 1 1 . 1 1 5 5 ASN H H 5 8.340 8.340 8.394 -0.054 25449
43 1 1 . 1 1 6 6 ALA N N 6 122.100 122.100 123.476 -1.376 25449
44 1 1 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.996 -1.256 25449
45 1 1 . 1 1 6 6 ALA C C 6 177.000 177.000 176.739 0.261 25449
46 1 1 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.709 -0.409 25449
47 1 1 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.518 1.482 25449
48 1 1 . 1 1 6 6 ALA H H 6 7.590 7.590 7.476 0.114 25449
49 1 1 . 1 1 7 7 THR N N 7 112.700 112.700 118.960 -6.260 25449
50 1 1 . 1 1 7 7 THR HA H 7 4.390 4.390 4.350 0.040 25449
51 1 1 . 1 1 7 7 THR C C 7 171.700 171.700 175.070 -3.370 25449
52 1 1 . 1 1 7 7 THR CA C 7 59.800 59.800 61.398 -1.599 25449
53 1 1 . 1 1 7 7 THR CB C 7 70.600 70.600 70.653 -0.053 25449
54 1 1 . 1 1 7 7 THR H H 7 6.840 6.840 7.700 -0.860 25449
55 1 1 . 1 1 8 8 ASP N N 8 114.600 114.600 122.561 -7.961 25449
56 1 1 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.304 0.186 25449
57 1 1 . 1 1 8 8 ASP C C 8 174.300 174.300 174.041 0.259 25449
58 1 1 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.808 -2.308 25449
59 1 1 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.250 -0.450 25449
60 1 1 . 1 1 8 8 ASP H H 8 8.170 8.170 8.742 -0.572 25449
61 1 1 . 1 1 9 9 ILE N N 9 117.800 117.800 118.806 -1.006 25449
62 1 1 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.342 0.468 25449
63 1 1 . 1 1 9 9 ILE C C 9 174.700 174.700 173.999 0.701 25449
64 1 1 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.699 -0.099 25449
65 1 1 . 1 1 9 9 ILE CB C 9 40.300 40.300 39.791 0.509 25449
66 1 1 . 1 1 9 9 ILE H H 9 7.890 7.890 7.504 0.386 25449
67 1 1 . 1 1 10 10 LEU N N 10 125.300 125.300 127.359 -2.059 25449
68 1 1 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.869 0.091 25449
69 1 1 . 1 1 10 10 LEU C C 10 176.100 176.100 175.333 0.767 25449
70 1 1 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.218 -1.318 25449
71 1 1 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.769 -1.669 25449
72 1 1 . 1 1 10 10 LEU H H 10 9.370 9.370 8.283 1.087 25449
73 1 1 . 1 1 11 11 PHE N N 11 124.300 124.300 127.690 -3.390 25449
74 1 1 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.754 -0.084 25449
75 1 1 . 1 1 11 11 PHE C C 11 173.400 173.400 173.698 -0.298 25449
76 1 1 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.154 -0.154 25449
77 1 1 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.021 0.679 25449
78 1 1 . 1 1 11 11 PHE H H 11 9.310 9.310 8.618 0.692 25449
79 1 1 . 1 1 12 12 VAL N N 12 128.300 128.300 128.987 -0.687 25449
80 1 1 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.434 -0.014 25449
81 1 1 . 1 1 12 12 VAL C C 12 173.900 173.900 175.254 -1.354 25449
82 1 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.184 0.016 25449
83 1 1 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.262 1.839 25449
84 1 1 . 1 1 12 12 VAL H H 12 8.380 8.380 7.704 0.676 25449
85 1 1 . 1 1 13 13 GLY N N 13 111.800 111.800 111.276 0.524 25449
86 1 1 . 1 1 13 13 GLY C C 13 173.800 173.800 173.494 0.306 25449
87 1 1 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.103 0.297 25449
88 1 1 . 1 1 13 13 GLY H H 13 9.150 9.150 7.352 1.798 25449
89 1 1 . 1 1 14 14 GLY N N 14 107.600 107.600 108.910 -1.310 25449
90 1 1 . 1 1 14 14 GLY C C 14 175.400 175.400 173.947 1.453 25449
91 1 1 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.730 1.070 25449
92 1 1 . 1 1 14 14 GLY H H 14 8.260 8.260 8.094 0.166 25449
93 1 1 . 1 1 15 15 ILE N N 15 111.100 111.100 115.832 -4.732 25449
94 1 1 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.449 -0.409 25449
95 1 1 . 1 1 15 15 ILE C C 15 175.500 175.500 174.591 0.909 25449
96 1 1 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.723 1.777 25449
97 1 1 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.316 -0.815 25449
98 1 1 . 1 1 15 15 ILE H H 15 6.930 6.930 7.259 -0.329 25449
99 1 1 . 1 1 16 16 ASP N N 16 122.800 122.800 120.735 2.065 25449
100 1 1 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.611 -0.031 25449
101 1 1 . 1 1 16 16 ASP C C 16 177.200 177.200 176.802 0.398 25449
102 1 1 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.278 0.422 25449
103 1 1 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.832 -0.332 25449
104 1 1 . 1 1 16 16 ASP H H 16 8.320 8.320 8.539 -0.219 25449
105 1 1 . 1 1 17 17 GLU N N 17 119.600 119.600 120.271 -0.671 25449
106 1 1 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.221 -0.081 25449
107 1 1 . 1 1 17 17 GLU C C 17 176.800 176.800 176.410 0.390 25449
108 1 1 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.633 0.967 25449
109 1 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.128 0.672 25449
110 1 1 . 1 1 17 17 GLU H H 17 8.830 8.830 8.658 0.172 25449
111 1 1 . 1 1 18 18 THR N N 18 111.300 111.300 115.233 -3.933 25449
112 1 1 . 1 1 18 18 THR HA H 18 4.250 4.250 4.477 -0.227 25449
113 1 1 . 1 1 18 18 THR C C 18 175.200 175.200 174.325 0.875 25449
114 1 1 . 1 1 18 18 THR CA C 18 62.600 62.600 61.079 1.521 25449
115 1 1 . 1 1 18 18 THR CB C 18 69.600 69.600 69.001 0.599 25449
116 1 1 . 1 1 18 18 THR H H 18 8.740 8.740 7.716 1.024 25449
117 1 1 . 1 1 19 19 ILE N N 19 123.300 123.300 119.905 3.395 25449
118 1 1 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.310 -0.430 25449
119 1 1 . 1 1 19 19 ILE C C 19 174.300 174.300 174.127 0.173 25449
120 1 1 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.148 0.752 25449
121 1 1 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.781 -3.181 25449
122 1 1 . 1 1 19 19 ILE H H 19 7.220 7.220 7.574 -0.354 25449
123 1 1 . 1 1 20 20 ASP N N 20 125.600 125.600 123.464 2.136 25449
124 1 1 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.811 -0.171 25449
125 1 1 . 1 1 20 20 ASP C C 20 175.300 175.300 177.307 -2.007 25449
126 1 1 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.572 -1.073 25449
127 1 1 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.411 -0.411 25449
128 1 1 . 1 1 20 20 ASP H H 20 7.790 7.790 8.439 -0.649 25449
129 1 1 . 1 1 21 21 GLU N N 21 118.400 118.400 121.983 -3.583 25449
130 1 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.929 -0.299 25449
131 1 1 . 1 1 21 21 GLU C C 21 177.900 177.900 178.183 -0.283 25449
132 1 1 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.135 0.766 25449
133 1 1 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.562 -0.362 25449
134 1 1 . 1 1 21 21 GLU H H 21 9.220 9.220 8.833 0.387 25449
135 1 1 . 1 1 22 22 LYS N N 22 119.700 119.700 117.101 2.599 25449
136 1 1 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.086 -0.026 25449
137 1 1 . 1 1 22 22 LYS C C 22 178.500 178.500 178.657 -0.157 25449
138 1 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.044 0.256 25449
139 1 1 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.370 0.430 25449
140 1 1 . 1 1 22 22 LYS H H 22 8.040 8.040 8.584 -0.544 25449
141 1 1 . 1 1 23 23 SER N N 23 114.900 114.900 115.688 -0.788 25449
142 1 1 . 1 1 23 23 SER HA H 23 4.300 4.300 4.330 -0.030 25449
143 1 1 . 1 1 23 23 SER C C 23 177.600 177.600 176.153 1.447 25449
144 1 1 . 1 1 23 23 SER CA C 23 61.800 61.800 61.262 0.538 25449
145 1 1 . 1 1 23 23 SER CB C 23 62.900 62.900 62.446 0.454 25449
146 1 1 . 1 1 23 23 SER H H 23 8.240 8.240 8.346 -0.106 25449
147 1 1 . 1 1 24 24 LEU N N 24 118.800 118.800 121.729 -2.929 25449
148 1 1 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.282 -0.102 25449
149 1 1 . 1 1 24 24 LEU C C 24 178.700 178.700 178.661 0.039 25449
150 1 1 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.535 0.765 25449
151 1 1 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.499 0.601 25449
152 1 1 . 1 1 24 24 LEU H H 24 7.750 7.750 7.427 0.323 25449
153 1 1 . 1 1 25 25 TYR N N 25 123.200 123.200 121.247 1.953 25449
154 1 1 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.069 -0.439 25449
155 1 1 . 1 1 25 25 TYR C C 25 178.600 178.600 177.215 1.385 25449
156 1 1 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.529 1.671 25449
157 1 1 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.676 -0.476 25449
158 1 1 . 1 1 25 25 TYR H H 25 8.970 8.970 7.476 1.494 25449
159 1 1 . 1 1 26 26 ASP N N 26 119.800 119.800 119.336 0.464 25449
160 1 1 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.579 -0.309 25449
161 1 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.814 -0.914 25449
162 1 1 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.501 0.199 25449
163 1 1 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.242 -1.242 25449
164 1 1 . 1 1 26 26 ASP H H 26 8.510 8.510 7.795 0.715 25449
165 1 1 . 1 1 27 27 ILE N N 27 114.700 114.700 119.588 -4.888 25449
166 1 1 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.881 0.079 25449
167 1 1 . 1 1 27 27 ILE C C 27 177.700 177.700 177.774 -0.074 25449
168 1 1 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.892 -1.592 25449
169 1 1 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.279 0.721 25449
170 1 1 . 1 1 27 27 ILE H H 27 7.320 7.320 7.715 -0.395 25449
171 1 1 . 1 1 28 28 PHE N N 28 116.900 116.900 117.321 -0.421 25449
172 1 1 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.656 -0.286 25449
173 1 1 . 1 1 28 28 PHE C C 28 179.900 179.900 176.945 2.955 25449
174 1 1 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.800 3.501 25449
175 1 1 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.925 -1.625 25449
176 1 1 . 1 1 28 28 PHE H H 28 8.650 8.650 8.040 0.610 25449
177 1 1 . 1 1 29 29 SER N N 29 120.100 120.100 113.066 7.034 25449
178 1 1 . 1 1 29 29 SER HA H 29 4.410 4.410 4.678 -0.268 25449
179 1 1 . 1 1 29 29 SER C C 29 175.600 175.600 175.306 0.294 25449
180 1 1 . 1 1 29 29 SER CA C 29 61.300 61.300 59.051 2.249 25449
181 1 1 . 1 1 29 29 SER CB C 29 62.200 62.200 62.669 -0.469 25449
182 1 1 . 1 1 29 29 SER H H 29 8.880 8.880 7.713 1.167 25449
183 1 1 . 1 1 30 30 SER N N 30 116.200 116.200 117.463 -1.263 25449
184 1 1 . 1 1 30 30 SER HA H 30 3.940 3.940 4.258 -0.318 25449
185 1 1 . 1 1 30 30 SER C C 30 174.900 174.900 175.480 -0.580 25449
186 1 1 . 1 1 30 30 SER CA C 30 60.400 60.400 60.805 -0.405 25449
187 1 1 . 1 1 30 30 SER CB C 30 62.400 62.400 63.138 -0.738 25449
188 1 1 . 1 1 30 30 SER H H 30 7.270 7.270 7.963 -0.693 25449
189 1 1 . 1 1 31 31 PHE N N 31 115.600 115.600 121.772 -6.172 25449
190 1 1 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.571 -0.291 25449
191 1 1 . 1 1 31 31 PHE C C 31 174.100 174.100 176.151 -2.051 25449
192 1 1 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.226 -0.326 25449
193 1 1 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.328 -1.028 25449
194 1 1 . 1 1 31 31 PHE H H 31 6.980 6.980 7.893 -0.913 25449
195 1 1 . 1 1 32 32 GLY N N 32 104.900 104.900 107.299 -2.399 25449
196 1 1 . 1 1 32 32 GLY C C 32 171.600 171.600 172.791 -1.191 25449
197 1 1 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.445 -0.145 25449
198 1 1 . 1 1 32 32 GLY H H 32 7.300 7.300 7.654 -0.354 25449
199 1 1 . 1 1 33 33 ASP N N 33 116.100 116.100 126.737 -10.637 25449
200 1 1 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.435 0.075 25449
201 1 1 . 1 1 33 33 ASP C C 33 176.800 176.800 174.552 2.248 25449
202 1 1 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.405 -0.005 25449
203 1 1 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.235 -1.635 25449
204 1 1 . 1 1 33 33 ASP H H 33 8.120 8.120 8.449 -0.329 25449
205 1 1 . 1 1 34 34 ILE N N 34 126.400 126.400 119.377 7.023 25449
206 1 1 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.154 -0.304 25449
207 1 1 . 1 1 34 34 ILE C C 34 176.200 176.200 176.190 0.010 25449
208 1 1 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.459 1.741 25449
209 1 1 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.158 0.742 25449
210 1 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.024 0.646 25449
211 1 1 . 1 1 35 35 ARG N N 35 128.900 128.900 128.028 0.872 25449
212 1 1 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.156 0.004 25449
213 1 1 . 1 1 35 35 ARG C C 35 175.600 175.600 176.194 -0.594 25449
214 1 1 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.886 -0.386 25449
215 1 1 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.055 0.645 25449
216 1 1 . 1 1 35 35 ARG H H 35 9.320 9.320 8.611 0.709 25449
217 1 1 . 1 1 36 36 ASN N N 36 114.300 114.300 115.102 -0.802 25449
218 1 1 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.871 -0.161 25449
219 1 1 . 1 1 36 36 ASN C C 36 172.000 172.000 173.026 -1.026 25449
220 1 1 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.062 0.438 25449
221 1 1 . 1 1 36 36 ASN CB C 36 42.600 42.600 41.017 1.583 25449
222 1 1 . 1 1 36 36 ASN H H 36 7.620 7.620 8.094 -0.474 25449
223 1 1 . 1 1 37 37 ILE N N 37 122.700 122.700 123.494 -0.794 25449
224 1 1 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.516 0.254 25449
225 1 1 . 1 1 37 37 ILE C C 37 173.300 173.300 174.888 -1.588 25449
226 1 1 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.872 -0.272 25449
227 1 1 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.777 1.423 25449
228 1 1 . 1 1 37 37 ILE H H 37 8.030 8.030 8.509 -0.479 25449
229 1 1 . 1 1 38 38 GLU N N 38 126.700 126.700 128.777 -2.077 25449
230 1 1 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.652 0.008 25449
231 1 1 . 1 1 38 38 GLU C C 38 174.800 174.800 174.229 0.571 25449
232 1 1 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.457 -1.057 25449
233 1 1 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.011 2.389 25449
234 1 1 . 1 1 38 38 GLU H H 38 8.870 8.870 8.575 0.295 25449
235 1 1 . 1 1 39 39 VAL N N 39 126.400 126.400 127.101 -0.701 25449
236 1 1 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.064 -0.364 25449
237 1 1 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.981 -0.381 25449
238 1 1 . 1 1 39 39 VAL H H 39 8.970 8.970 8.400 0.570 25449
239 1 1 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.356 -0.126 25449
240 1 1 . 1 1 40 40 PRO C C 40 176.300 176.300 175.253 1.047 25449
241 1 1 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.940 0.360 25449
242 1 1 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.163 0.337 25449
243 1 1 . 1 1 41 41 LEU N N 41 120.700 120.700 122.455 -1.755 25449
244 1 1 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.759 -0.239 25449
245 1 1 . 1 1 41 41 LEU C C 41 177.900 177.900 175.884 2.016 25449
246 1 1 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.454 -0.354 25449
247 1 1 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.974 -1.674 25449
248 1 1 . 1 1 41 41 LEU H H 41 8.520 8.520 8.127 0.393 25449
249 1 1 . 1 1 42 42 ASN N N 42 121.400 121.400 120.012 1.388 25449
250 1 1 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.930 -0.370 25449
251 1 1 . 1 1 42 42 ASN C C 42 176.700 176.700 176.302 0.398 25449
252 1 1 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.100 0.800 25449
253 1 1 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.386 -1.387 25449
254 1 1 . 1 1 42 42 ASN H H 42 8.740 8.740 8.438 0.302 25449
255 1 1 . 1 1 43 43 MET N N 43 125.500 125.500 123.377 2.123 25449
256 1 1 . 1 1 43 43 MET HA H 43 4.210 4.210 4.461 -0.251 25449
257 1 1 . 1 1 43 43 MET C C 43 177.200 177.200 176.979 0.221 25449
258 1 1 . 1 1 43 43 MET CA C 43 57.100 57.100 57.357 -0.257 25449
259 1 1 . 1 1 43 43 MET CB C 43 31.600 31.600 32.354 -0.754 25449
260 1 1 . 1 1 43 43 MET H H 43 9.080 9.080 8.920 0.160 25449
261 1 1 . 1 1 44 44 THR N N 44 114.400 114.400 113.550 0.850 25449
262 1 1 . 1 1 44 44 THR HA H 44 4.160 4.160 4.309 -0.149 25449
263 1 1 . 1 1 44 44 THR C C 44 175.900 175.900 175.452 0.448 25449
264 1 1 . 1 1 44 44 THR CA C 44 65.200 65.200 63.582 1.618 25449
265 1 1 . 1 1 44 44 THR CB C 44 68.700 68.700 69.450 -0.750 25449
266 1 1 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449
267 1 1 . 1 1 45 45 THR N N 45 110.300 110.300 111.554 -1.254 25449
268 1 1 . 1 1 45 45 THR HA H 45 4.160 4.160 4.442 -0.282 25449
269 1 1 . 1 1 45 45 THR C C 45 175.500 175.500 174.275 1.225 25449
270 1 1 . 1 1 45 45 THR CA C 45 62.000 62.000 61.729 0.271 25449
271 1 1 . 1 1 45 45 THR CB C 45 70.000 70.000 69.618 0.382 25449
272 1 1 . 1 1 45 45 THR H H 45 7.610 7.610 7.665 -0.055 25449
273 1 1 . 1 1 46 46 LYS N N 46 115.700 115.700 119.847 -4.147 25449
274 1 1 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.896 -0.176 25449
275 1 1 . 1 1 46 46 LYS C C 46 174.600 174.600 175.250 -0.650 25449
276 1 1 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.370 0.230 25449
277 1 1 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.738 -1.838 25449
278 1 1 . 1 1 46 46 LYS H H 46 8.460 8.460 8.008 0.452 25449
279 1 1 . 1 1 47 47 LYS N N 47 117.100 117.100 117.590 -0.490 25449
280 1 1 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.125 0.555 25449
281 1 1 . 1 1 47 47 LYS C C 47 176.300 176.300 176.959 -0.659 25449
282 1 1 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.752 -2.752 25449
283 1 1 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.552 2.548 25449
284 1 1 . 1 1 47 47 LYS H H 47 7.610 7.610 7.380 0.230 25449
285 1 1 . 1 1 48 48 ASN N N 48 117.700 117.700 119.943 -2.243 25449
286 1 1 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.834 -0.134 25449
287 1 1 . 1 1 48 48 ASN C C 48 174.000 174.000 175.180 -1.180 25449
288 1 1 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.059 1.541 25449
289 1 1 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.182 -1.482 25449
290 1 1 . 1 1 48 48 ASN H H 48 8.740 8.740 8.765 -0.025 25449
291 1 1 . 1 1 49 49 ARG N N 49 116.800 116.800 116.951 -0.151 25449
292 1 1 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.018 0.332 25449
293 1 1 . 1 1 49 49 ARG C C 49 177.500 177.500 176.420 1.080 25449
294 1 1 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.625 -1.025 25449
295 1 1 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.226 4.374 25449
296 1 1 . 1 1 49 49 ARG H H 49 8.530 8.530 8.077 0.453 25449
297 1 1 . 1 1 50 50 GLY N N 50 108.300 108.300 105.998 2.302 25449
298 1 1 . 1 1 50 50 GLY C C 50 173.500 173.500 173.542 -0.042 25449
299 1 1 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.422 0.378 25449
300 1 1 . 1 1 50 50 GLY H H 50 8.900 8.900 8.843 0.057 25449
301 1 1 . 1 1 51 51 PHE N N 51 113.900 113.900 116.798 -2.898 25449
302 1 1 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.707 0.763 25449
303 1 1 . 1 1 51 51 PHE C C 51 172.000 172.000 172.090 -0.090 25449
304 1 1 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.174 -1.174 25449
305 1 1 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.701 1.999 25449
306 1 1 . 1 1 51 51 PHE H H 51 6.910 6.910 7.296 -0.386 25449
307 1 1 . 1 1 52 52 ALA N N 52 120.500 120.500 125.337 -4.837 25449
308 1 1 . 1 1 52 52 ALA HA H 52 4.630 4.630 3.993 0.637 25449
309 1 1 . 1 1 52 52 ALA C C 52 173.900 173.900 174.484 -0.584 25449
310 1 1 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.138 -0.938 25449
311 1 1 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.694 3.406 25449
312 1 1 . 1 1 52 52 ALA H H 52 8.810 8.810 7.587 1.223 25449
313 1 1 . 1 1 53 53 PHE N N 53 115.000 115.000 119.486 -4.486 25449
314 1 1 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.739 0.921 25449
315 1 1 . 1 1 53 53 PHE C C 53 175.600 175.600 174.463 1.137 25449
316 1 1 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.169 0.031 25449
317 1 1 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.296 1.104 25449
318 1 1 . 1 1 53 53 PHE H H 53 8.730 8.730 7.820 0.910 25449
319 1 1 . 1 1 54 54 VAL N N 54 122.300 122.300 121.663 0.637 25449
320 1 1 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.322 -0.222 25449
321 1 1 . 1 1 54 54 VAL C C 54 173.000 173.000 174.158 -1.158 25449
322 1 1 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.974 -0.274 25449
323 1 1 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.652 -0.252 25449
324 1 1 . 1 1 54 54 VAL H H 54 9.060 9.060 8.450 0.610 25449
325 1 1 . 1 1 55 55 GLU N N 55 127.300 127.300 127.908 -0.608 25449
326 1 1 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.906 0.254 25449
327 1 1 . 1 1 55 55 GLU C C 55 175.900 175.900 175.486 0.414 25449
328 1 1 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.047 -1.047 25449
329 1 1 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.201 -0.501 25449
330 1 1 . 1 1 55 55 GLU H H 55 8.860 8.860 8.144 0.716 25449
331 1 1 . 1 1 56 56 TYR N N 56 127.500 127.500 124.387 3.113 25449
332 1 1 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.397 0.123 25449
333 1 1 . 1 1 56 56 TYR C C 56 175.000 175.000 175.680 -0.680 25449
334 1 1 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.091 0.609 25449
335 1 1 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.547 0.653 25449
336 1 1 . 1 1 56 56 TYR H H 56 9.470 9.470 8.933 0.537 25449
337 1 1 . 1 1 57 57 VAL N N 57 119.200 119.200 117.554 1.646 25449
338 1 1 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.898 -0.328 25449
339 1 1 . 1 1 57 57 VAL C C 57 177.000 177.000 176.029 0.971 25449
340 1 1 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.623 1.677 25449
341 1 1 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.349 -0.349 25449
342 1 1 . 1 1 57 57 VAL H H 57 7.800 7.800 7.948 -0.148 25449
343 1 1 . 1 1 58 58 GLU N N 58 118.500 118.500 116.292 2.208 25449
344 1 1 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.599 0.181 25449
345 1 1 . 1 1 58 58 GLU C C 58 177.500 177.500 177.647 -0.147 25449
346 1 1 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.556 -1.756 25449
347 1 1 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.136 -0.636 25449
348 1 1 . 1 1 58 58 GLU H H 58 9.530 9.530 8.047 1.483 25449
349 1 1 . 1 1 59 59 VAL N N 59 125.200 125.200 122.153 3.047 25449
350 1 1 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.016 -0.486 25449
351 1 1 . 1 1 59 59 VAL C C 59 177.600 177.600 176.919 0.681 25449
352 1 1 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.053 1.047 25449
353 1 1 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.542 -0.842 25449
354 1 1 . 1 1 59 59 VAL H H 59 8.650 8.650 8.509 0.141 25449
355 1 1 . 1 1 60 60 ASP N N 60 118.500 118.500 120.865 -2.365 25449
356 1 1 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.400 -0.180 25449
357 1 1 . 1 1 60 60 ASP C C 60 178.300 178.300 177.456 0.844 25449
358 1 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.645 -0.045 25449
359 1 1 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.744 -0.244 25449
360 1 1 . 1 1 60 60 ASP H H 60 8.970 8.970 8.598 0.372 25449
361 1 1 . 1 1 61 61 ASP N N 61 119.900 119.900 119.632 0.268 25449
362 1 1 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.437 -0.077 25449
363 1 1 . 1 1 61 61 ASP C C 61 176.800 176.800 178.234 -1.434 25449
364 1 1 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.274 -0.374 25449
365 1 1 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.470 -0.670 25449
366 1 1 . 1 1 61 61 ASP H H 61 6.920 6.920 8.643 -1.723 25449
367 1 1 . 1 1 62 62 ALA N N 62 122.700 122.700 122.377 0.323 25449
368 1 1 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.383 -0.003 25449
369 1 1 . 1 1 62 62 ALA C C 62 171.600 171.600 179.335 -7.735 25449
370 1 1 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.041 0.059 25449
371 1 1 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.265 -0.065 25449
372 1 1 . 1 1 62 62 ALA H H 62 6.910 6.910 7.651 -0.741 25449
373 1 1 . 1 1 63 63 LYS N N 63 116.200 116.200 118.455 -2.255 25449
374 1 1 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.873 0.317 25449
375 1 1 . 1 1 63 63 LYS C C 63 179.200 179.200 179.097 0.103 25449
376 1 1 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.585 -0.285 25449
377 1 1 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.849 0.751 25449
378 1 1 . 1 1 63 63 LYS H H 63 8.020 8.020 7.792 0.228 25449
379 1 1 . 1 1 64 64 HIS N N 64 117.400 117.400 117.388 0.012 25449
380 1 1 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.314 -0.004 25449
381 1 1 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.110 -1.110 25449
382 1 1 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.906 -0.806 25449
383 1 1 . 1 1 64 64 HIS H H 64 7.460 7.460 7.492 -0.032 25449
384 1 1 . 1 1 65 65 ALA N N 65 123.700 123.700 122.437 1.263 25449
385 1 1 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.929 -1.759 25449
386 1 1 . 1 1 65 65 ALA C C 65 178.700 178.700 179.054 -0.354 25449
387 1 1 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.734 0.066 25449
388 1 1 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.734 0.666 25449
389 1 1 . 1 1 65 65 ALA H H 65 8.190 8.190 7.710 0.480 25449
390 1 1 . 1 1 66 66 LEU N N 66 119.800 119.800 118.914 0.886 25449
391 1 1 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.128 -0.698 25449
392 1 1 . 1 1 66 66 LEU C C 66 178.700 178.700 178.900 -0.200 25449
393 1 1 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.671 2.029 25449
394 1 1 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.721 -0.621 25449
395 1 1 . 1 1 66 66 LEU H H 66 8.340 8.340 7.567 0.773 25449
396 1 1 . 1 1 67 67 TYR N N 67 116.200 116.200 119.694 -3.494 25449
397 1 1 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.220 -0.210 25449
398 1 1 . 1 1 67 67 TYR C C 67 177.700 177.700 176.768 0.932 25449
399 1 1 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.155 -0.655 25449
400 1 1 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.367 -0.267 25449
401 1 1 . 1 1 67 67 TYR H H 67 7.760 7.760 7.835 -0.075 25449
402 1 1 . 1 1 68 68 ASN N N 68 113.900 113.900 114.468 -0.568 25449
403 1 1 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.537 -0.107 25449
404 1 1 . 1 1 68 68 ASN C C 68 176.400 176.400 175.780 0.620 25449
405 1 1 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.164 1.436 25449
406 1 1 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.387 3.013 25449
407 1 1 . 1 1 68 68 ASN H H 68 7.480 7.480 7.798 -0.318 25449
408 1 1 . 1 1 69 69 MET N N 69 114.900 114.900 116.116 -1.216 25449
409 1 1 . 1 1 69 69 MET HA H 69 4.760 4.760 4.606 0.154 25449
410 1 1 . 1 1 69 69 MET C C 69 177.000 177.000 176.954 0.046 25449
411 1 1 . 1 1 69 69 MET CA C 69 53.500 53.500 54.197 -0.697 25449
412 1 1 . 1 1 69 69 MET CB C 69 31.100 31.100 32.762 -1.662 25449
413 1 1 . 1 1 69 69 MET H H 69 8.310 8.310 7.591 0.719 25449
414 1 1 . 1 1 70 70 ASN N N 70 117.700 117.700 119.727 -2.027 25449
415 1 1 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.561 -0.191 25449
416 1 1 . 1 1 70 70 ASN C C 70 176.400 176.400 175.683 0.717 25449
417 1 1 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.680 0.420 25449
418 1 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.493 1.207 25449
419 1 1 . 1 1 70 70 ASN H H 70 7.660 7.660 8.144 -0.484 25449
420 1 1 . 1 1 71 71 ASN N N 71 121.500 121.500 115.726 5.774 25449
421 1 1 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.665 -0.155 25449
422 1 1 . 1 1 71 71 ASN C C 71 173.300 173.300 174.549 -1.249 25449
423 1 1 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.173 2.627 25449
424 1 1 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.365 -0.165 25449
425 1 1 . 1 1 71 71 ASN H H 71 8.600 8.600 8.316 0.284 25449
426 1 1 . 1 1 72 72 PHE N N 72 122.300 122.300 122.320 -0.020 25449
427 1 1 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.577 -0.387 25449
428 1 1 . 1 1 72 72 PHE C C 72 174.100 174.100 174.028 0.072 25449
429 1 1 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.730 1.970 25449
430 1 1 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.661 0.639 25449
431 1 1 . 1 1 72 72 PHE H H 72 7.870 7.870 7.489 0.381 25449
432 1 1 . 1 1 73 73 GLU N N 73 126.100 126.100 127.615 -1.515 25449
433 1 1 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.375 -0.145 25449
434 1 1 . 1 1 73 73 GLU C C 73 173.000 173.000 174.348 -1.348 25449
435 1 1 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.682 0.918 25449
436 1 1 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.280 -0.981 25449
437 1 1 . 1 1 73 73 GLU H H 73 7.690 7.690 8.325 -0.635 25449
438 1 1 . 1 1 74 74 LEU N N 74 128.900 128.900 125.185 3.715 25449
439 1 1 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.233 0.287 25449
440 1 1 . 1 1 74 74 LEU C C 74 175.500 175.500 175.987 -0.487 25449
441 1 1 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.306 -1.006 25449
442 1 1 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.071 1.529 25449
443 1 1 . 1 1 74 74 LEU H H 74 8.620 8.620 8.470 0.150 25449
444 1 1 . 1 1 75 75 ASN N N 75 126.800 126.800 125.170 1.630 25449
445 1 1 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.418 -0.208 25449
446 1 1 . 1 1 75 75 ASN C C 75 175.600 175.600 175.262 0.338 25449
447 1 1 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.487 0.413 25449
448 1 1 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.604 0.296 25449
449 1 1 . 1 1 75 75 ASN H H 75 9.520 9.520 9.261 0.259 25449
450 1 1 . 1 1 76 76 GLY N N 76 102.300 102.300 101.964 0.336 25449
451 1 1 . 1 1 76 76 GLY C C 76 173.600 173.600 173.651 -0.051 25449
452 1 1 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.420 -0.120 25449
453 1 1 . 1 1 76 76 GLY H H 76 8.500 8.500 8.594 -0.094 25449
454 1 1 . 1 1 77 77 LYS N N 77 120.800 120.800 118.932 1.868 25449
455 1 1 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.577 -0.007 25449
456 1 1 . 1 1 77 77 LYS C C 77 175.100 175.100 174.614 0.486 25449
457 1 1 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.665 -0.465 25449
458 1 1 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.831 -0.331 25449
459 1 1 . 1 1 77 77 LYS H H 77 7.580 7.580 7.380 0.200 25449
460 1 1 . 1 1 78 78 ARG N N 78 123.300 123.300 123.738 -0.438 25449
461 1 1 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.506 -0.026 25449
462 1 1 . 1 1 78 78 ARG C C 78 176.600 176.600 175.469 1.131 25449
463 1 1 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.694 0.606 25449
464 1 1 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.606 -0.306 25449
465 1 1 . 1 1 78 78 ARG H H 78 8.580 8.580 8.409 0.171 25449
466 1 1 . 1 1 79 79 ILE N N 79 120.100 120.100 123.389 -3.289 25449
467 1 1 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.489 0.211 25449
468 1 1 . 1 1 79 79 ILE C C 79 175.200 175.200 175.218 -0.018 25449
469 1 1 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.236 -0.236 25449
470 1 1 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.181 0.219 25449
471 1 1 . 1 1 79 79 ILE H H 79 8.450 8.450 8.481 -0.031 25449
472 1 1 . 1 1 80 80 HIS N N 80 119.900 119.900 125.675 -5.775 25449
473 1 1 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.795 0.395 25449
474 1 1 . 1 1 80 80 HIS C C 80 173.600 173.600 174.404 -0.804 25449
475 1 1 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.325 -1.525 25449
476 1 1 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.385 -0.085 25449
477 1 1 . 1 1 80 80 HIS H H 80 8.580 8.580 8.023 0.557 25449
478 1 1 . 1 1 81 81 VAL N N 81 123.800 123.800 125.327 -1.527 25449
479 1 1 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.195 0.085 25449
480 1 1 . 1 1 81 81 VAL C C 81 173.600 173.600 174.515 -0.915 25449
481 1 1 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.245 -1.045 25449
482 1 1 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.538 1.462 25449
483 1 1 . 1 1 81 81 VAL H H 81 8.650 8.650 8.739 -0.089 25449
484 1 1 . 1 1 82 82 ASN N N 82 121.100 121.100 125.058 -3.958 25449
485 1 1 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.037 -0.287 25449
486 1 1 . 1 1 82 82 ASN C C 82 174.000 174.000 172.642 1.358 25449
487 1 1 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.541 -0.641 25449
488 1 1 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.775 0.125 25449
489 1 1 . 1 1 82 82 ASN H H 82 8.890 8.890 8.362 0.528 25449
490 1 1 . 1 1 83 83 TYR N N 83 120.400 120.400 120.681 -0.281 25449
491 1 1 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.810 -0.010 25449
492 1 1 . 1 1 83 83 TYR C C 83 177.100 177.100 175.086 2.014 25449
493 1 1 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.051 1.349 25449
494 1 1 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.592 -0.892 25449
495 1 1 . 1 1 83 83 TYR H H 83 8.480 8.480 8.630 -0.150 25449
496 1 1 . 1 1 84 84 SER N N 84 118.000 118.000 119.119 -1.119 25449
497 1 1 . 1 1 84 84 SER HA H 84 4.520 4.520 4.365 0.155 25449
498 1 1 . 1 1 84 84 SER C C 84 174.100 174.100 172.685 1.415 25449
499 1 1 . 1 1 84 84 SER CA C 84 57.700 57.700 56.230 1.470 25449
500 1 1 . 1 1 84 84 SER CB C 84 64.300 64.300 65.317 -1.017 25449
501 1 1 . 1 1 84 84 SER H H 84 9.040 9.040 7.596 1.444 25449
502 1 1 . 1 1 85 85 LYS N N 85 125.300 125.300 119.971 5.329 25449
503 1 1 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.317 0.123 25449
504 1 1 . 1 1 85 85 LYS C C 85 175.600 175.600 175.579 0.021 25449
505 1 1 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.474 0.826 25449
506 1 1 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.414 0.285 25449
507 1 1 . 1 1 85 85 LYS H H 85 8.410 8.410 8.225 0.185 25449
508 1 2 . 1 1 -1 -1 SER N N -1 115.600 115.600 113.513 2.087 25449
509 1 2 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.801 -0.391 25449
510 1 2 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.072 -2.072 25449
511 1 2 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.803 -0.603 25449
512 1 2 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.222 -1.322 25449
513 1 2 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.525 0.144 25449
514 1 2 . 1 1 0 0 HIS N N 0 121.200 121.200 119.290 1.910 25449
515 1 2 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.643 -0.053 25449
516 1 2 . 1 1 0 0 HIS C C 0 174.800 174.800 174.704 0.096 25449
517 1 2 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.645 0.455 25449
518 1 2 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.963 -2.063 25449
519 1 2 . 1 1 0 0 HIS H H 0 8.730 8.730 7.969 0.761 25449
520 1 2 . 1 1 1 1 MET N N 1 121.800 121.800 121.181 0.619 25449
521 1 2 . 1 1 1 1 MET HA H 1 4.370 4.370 4.165 0.205 25449
522 1 2 . 1 1 1 1 MET C C 1 176.300 176.300 174.262 2.038 25449
523 1 2 . 1 1 1 1 MET CA C 1 55.700 55.700 56.118 -0.418 25449
524 1 2 . 1 1 1 1 MET CB C 1 32.800 32.800 31.395 1.405 25449
525 1 2 . 1 1 1 1 MET H H 1 8.450 8.450 8.405 0.045 25449
526 1 2 . 1 1 2 2 SER N N 2 116.700 116.700 116.274 0.426 25449
527 1 2 . 1 1 2 2 SER HA H 2 4.370 4.370 4.535 -0.165 25449
528 1 2 . 1 1 2 2 SER C C 2 174.200 174.200 172.998 1.202 25449
529 1 2 . 1 1 2 2 SER CA C 2 58.400 58.400 58.412 -0.012 25449
530 1 2 . 1 1 2 2 SER CB C 2 63.800 63.800 63.818 -0.018 25449
531 1 2 . 1 1 2 2 SER H H 2 8.410 8.410 7.545 0.865 25449
532 1 2 . 1 1 3 3 ASP N N 3 122.100 122.100 124.963 -2.863 25449
533 1 2 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.598 -0.048 25449
534 1 2 . 1 1 3 3 ASP C C 3 176.100 176.100 174.562 1.538 25449
535 1 2 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.724 -0.224 25449
536 1 2 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.914 0.286 25449
537 1 2 . 1 1 3 3 ASP H H 3 8.340 8.340 8.472 -0.132 25449
538 1 2 . 1 1 4 4 ASN N N 4 119.100 119.100 116.821 2.279 25449
539 1 2 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.734 -0.154 25449
540 1 2 . 1 1 4 4 ASN C C 4 174.900 174.900 174.238 0.662 25449
541 1 2 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.507 1.193 25449
542 1 2 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.151 -0.251 25449
543 1 2 . 1 1 4 4 ASN H H 4 8.420 8.420 7.861 0.559 25449
544 1 2 . 1 1 5 5 ASN N N 5 118.400 118.400 116.920 1.480 25449
545 1 2 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.569 -0.029 25449
546 1 2 . 1 1 5 5 ASN C C 5 173.900 173.900 174.673 -0.773 25449
547 1 2 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.771 -0.571 25449
548 1 2 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.351 0.349 25449
549 1 2 . 1 1 5 5 ASN H H 5 8.340 8.340 8.529 -0.189 25449
550 1 2 . 1 1 6 6 ALA N N 6 122.100 122.100 119.406 2.694 25449
551 1 2 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.717 -0.977 25449
552 1 2 . 1 1 6 6 ALA C C 6 177.000 177.000 176.353 0.647 25449
553 1 2 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.412 -0.112 25449
554 1 2 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.643 1.357 25449
555 1 2 . 1 1 6 6 ALA H H 6 7.590 7.590 7.468 0.122 25449
556 1 2 . 1 1 7 7 THR N N 7 112.700 112.700 118.791 -6.091 25449
557 1 2 . 1 1 7 7 THR HA H 7 4.390 4.390 4.413 -0.023 25449
558 1 2 . 1 1 7 7 THR C C 7 171.700 171.700 175.218 -3.518 25449
559 1 2 . 1 1 7 7 THR CA C 7 59.800 59.800 60.788 -0.988 25449
560 1 2 . 1 1 7 7 THR CB C 7 70.600 70.600 70.162 0.438 25449
561 1 2 . 1 1 7 7 THR H H 7 6.840 6.840 8.127 -1.287 25449
562 1 2 . 1 1 8 8 ASP N N 8 114.600 114.600 122.700 -8.100 25449
563 1 2 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.285 0.205 25449
564 1 2 . 1 1 8 8 ASP C C 8 174.300 174.300 174.297 0.003 25449
565 1 2 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.807 -2.307 25449
566 1 2 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.957 -0.157 25449
567 1 2 . 1 1 8 8 ASP H H 8 8.170 8.170 8.807 -0.637 25449
568 1 2 . 1 1 9 9 ILE N N 9 117.800 117.800 118.725 -0.925 25449
569 1 2 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.131 -0.321 25449
570 1 2 . 1 1 9 9 ILE C C 9 174.700 174.700 174.394 0.306 25449
571 1 2 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.235 0.365 25449
572 1 2 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.665 -0.365 25449
573 1 2 . 1 1 9 9 ILE H H 9 7.890 7.890 7.539 0.351 25449
574 1 2 . 1 1 10 10 LEU N N 10 125.300 125.300 127.546 -2.246 25449
575 1 2 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.907 0.053 25449
576 1 2 . 1 1 10 10 LEU C C 10 176.100 176.100 175.330 0.770 25449
577 1 2 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.012 -1.112 25449
578 1 2 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.510 -1.410 25449
579 1 2 . 1 1 10 10 LEU H H 10 9.370 9.370 8.209 1.161 25449
580 1 2 . 1 1 11 11 PHE N N 11 124.300 124.300 127.977 -3.677 25449
581 1 2 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.747 -0.077 25449
582 1 2 . 1 1 11 11 PHE C C 11 173.400 173.400 173.795 -0.395 25449
583 1 2 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.217 -0.217 25449
584 1 2 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.967 0.733 25449
585 1 2 . 1 1 11 11 PHE H H 11 9.310 9.310 8.723 0.587 25449
586 1 2 . 1 1 12 12 VAL N N 12 128.300 128.300 128.771 -0.471 25449
587 1 2 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.351 0.069 25449
588 1 2 . 1 1 12 12 VAL C C 12 173.900 173.900 175.257 -1.357 25449
589 1 2 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.272 -0.072 25449
590 1 2 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.063 2.037 25449
591 1 2 . 1 1 12 12 VAL H H 12 8.380 8.380 7.717 0.663 25449
592 1 2 . 1 1 13 13 GLY N N 13 111.800 111.800 111.376 0.424 25449
593 1 2 . 1 1 13 13 GLY C C 13 173.800 173.800 173.901 -0.101 25449
594 1 2 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.046 0.354 25449
595 1 2 . 1 1 13 13 GLY H H 13 9.150 9.150 7.336 1.814 25449
596 1 2 . 1 1 14 14 GLY N N 14 107.600 107.600 107.944 -0.344 25449
597 1 2 . 1 1 14 14 GLY C C 14 175.400 175.400 174.116 1.284 25449
598 1 2 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.974 0.826 25449
599 1 2 . 1 1 14 14 GLY H H 14 8.260 8.260 8.372 -0.112 25449
600 1 2 . 1 1 15 15 ILE N N 15 111.100 111.100 115.552 -4.452 25449
601 1 2 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.424 -0.384 25449
602 1 2 . 1 1 15 15 ILE C C 15 175.500 175.500 174.590 0.910 25449
603 1 2 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.937 1.563 25449
604 1 2 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.349 -0.849 25449
605 1 2 . 1 1 15 15 ILE H H 15 6.930 6.930 7.143 -0.213 25449
606 1 2 . 1 1 16 16 ASP N N 16 122.800 122.800 122.863 -0.063 25449
607 1 2 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.450 0.130 25449
608 1 2 . 1 1 16 16 ASP C C 16 177.200 177.200 176.791 0.409 25449
609 1 2 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.423 -0.723 25449
610 1 2 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.331 0.169 25449
611 1 2 . 1 1 16 16 ASP H H 16 8.320 8.320 8.560 -0.240 25449
612 1 2 . 1 1 17 17 GLU N N 17 119.600 119.600 117.853 1.747 25449
613 1 2 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.308 -0.168 25449
614 1 2 . 1 1 17 17 GLU C C 17 176.800 176.800 176.181 0.619 25449
615 1 2 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.230 1.370 25449
616 1 2 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.188 0.612 25449
617 1 2 . 1 1 17 17 GLU H H 17 8.830 8.830 8.639 0.191 25449
618 1 2 . 1 1 18 18 THR N N 18 111.300 111.300 115.674 -4.374 25449
619 1 2 . 1 1 18 18 THR HA H 18 4.250 4.250 4.446 -0.196 25449
620 1 2 . 1 1 18 18 THR C C 18 175.200 175.200 173.795 1.405 25449
621 1 2 . 1 1 18 18 THR CA C 18 62.600 62.600 61.185 1.415 25449
622 1 2 . 1 1 18 18 THR CB C 18 69.600 69.600 69.254 0.346 25449
623 1 2 . 1 1 18 18 THR H H 18 8.740 8.740 8.046 0.694 25449
624 1 2 . 1 1 19 19 ILE N N 19 123.300 123.300 116.966 6.334 25449
625 1 2 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.426 -0.546 25449
626 1 2 . 1 1 19 19 ILE C C 19 174.300 174.300 174.327 -0.027 25449
627 1 2 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.377 1.524 25449
628 1 2 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.939 -3.339 25449
629 1 2 . 1 1 19 19 ILE H H 19 7.220 7.220 7.302 -0.082 25449
630 1 2 . 1 1 20 20 ASP N N 20 125.600 125.600 120.754 4.846 25449
631 1 2 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.752 -0.112 25449
632 1 2 . 1 1 20 20 ASP C C 20 175.300 175.300 176.505 -1.205 25449
633 1 2 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.069 -1.569 25449
634 1 2 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.656 -0.656 25449
635 1 2 . 1 1 20 20 ASP H H 20 7.790 7.790 7.834 -0.044 25449
636 1 2 . 1 1 21 21 GLU N N 21 118.400 118.400 121.480 -3.080 25449
637 1 2 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.969 -0.339 25449
638 1 2 . 1 1 21 21 GLU C C 21 177.900 177.900 178.220 -0.320 25449
639 1 2 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.953 0.948 25449
640 1 2 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.832 -0.632 25449
641 1 2 . 1 1 21 21 GLU H H 21 9.220 9.220 8.996 0.224 25449
642 1 2 . 1 1 22 22 LYS N N 22 119.700 119.700 117.939 1.761 25449
643 1 2 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.220 -0.160 25449
644 1 2 . 1 1 22 22 LYS C C 22 178.500 178.500 178.975 -0.475 25449
645 1 2 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.650 0.650 25449
646 1 2 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.690 0.110 25449
647 1 2 . 1 1 22 22 LYS H H 22 8.040 8.040 8.220 -0.180 25449
648 1 2 . 1 1 23 23 SER N N 23 114.900 114.900 116.307 -1.407 25449
649 1 2 . 1 1 23 23 SER HA H 23 4.300 4.300 4.247 0.053 25449
650 1 2 . 1 1 23 23 SER C C 23 177.600 177.600 176.422 1.178 25449
651 1 2 . 1 1 23 23 SER CA C 23 61.800 61.800 61.165 0.635 25449
652 1 2 . 1 1 23 23 SER CB C 23 62.900 62.900 62.845 0.055 25449
653 1 2 . 1 1 23 23 SER H H 23 8.240 8.240 8.019 0.221 25449
654 1 2 . 1 1 24 24 LEU N N 24 118.800 118.800 121.635 -2.835 25449
655 1 2 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.136 0.044 25449
656 1 2 . 1 1 24 24 LEU C C 24 178.700 178.700 178.786 -0.086 25449
657 1 2 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.004 0.296 25449
658 1 2 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.542 0.558 25449
659 1 2 . 1 1 24 24 LEU H H 24 7.750 7.750 7.506 0.244 25449
660 1 2 . 1 1 25 25 TYR N N 25 123.200 123.200 121.395 1.805 25449
661 1 2 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.065 -0.435 25449
662 1 2 . 1 1 25 25 TYR C C 25 178.600 178.600 177.158 1.442 25449
663 1 2 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.661 2.539 25449
664 1 2 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.257 -0.057 25449
665 1 2 . 1 1 25 25 TYR H H 25 8.970 8.970 7.588 1.382 25449
666 1 2 . 1 1 26 26 ASP N N 26 119.800 119.800 118.001 1.799 25449
667 1 2 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.519 -0.249 25449
668 1 2 . 1 1 26 26 ASP C C 26 177.900 177.900 178.134 -0.234 25449
669 1 2 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.665 0.035 25449
670 1 2 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.796 -0.796 25449
671 1 2 . 1 1 26 26 ASP H H 26 8.510 8.510 7.835 0.675 25449
672 1 2 . 1 1 27 27 ILE N N 27 114.700 114.700 118.351 -3.651 25449
673 1 2 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.941 0.019 25449
674 1 2 . 1 1 27 27 ILE C C 27 177.700 177.700 177.769 -0.069 25449
675 1 2 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.568 -1.268 25449
676 1 2 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.432 0.568 25449
677 1 2 . 1 1 27 27 ILE H H 27 7.320 7.320 7.520 -0.200 25449
678 1 2 . 1 1 28 28 PHE N N 28 116.900 116.900 117.763 -0.863 25449
679 1 2 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.509 -0.139 25449
680 1 2 . 1 1 28 28 PHE C C 28 179.900 179.900 176.842 3.058 25449
681 1 2 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.544 2.756 25449
682 1 2 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.545 -1.246 25449
683 1 2 . 1 1 28 28 PHE H H 28 8.650 8.650 7.927 0.723 25449
684 1 2 . 1 1 29 29 SER N N 29 120.100 120.100 112.457 7.643 25449
685 1 2 . 1 1 29 29 SER HA H 29 4.410 4.410 4.782 -0.372 25449
686 1 2 . 1 1 29 29 SER C C 29 175.600 175.600 175.378 0.222 25449
687 1 2 . 1 1 29 29 SER CA C 29 61.300 61.300 58.907 2.393 25449
688 1 2 . 1 1 29 29 SER CB C 29 62.200 62.200 63.312 -1.112 25449
689 1 2 . 1 1 29 29 SER H H 29 8.880 8.880 7.784 1.096 25449
690 1 2 . 1 1 30 30 SER N N 30 116.200 116.200 117.434 -1.234 25449
691 1 2 . 1 1 30 30 SER HA H 30 3.940 3.940 4.295 -0.355 25449
692 1 2 . 1 1 30 30 SER C C 30 174.900 174.900 175.443 -0.543 25449
693 1 2 . 1 1 30 30 SER CA C 30 60.400 60.400 60.857 -0.457 25449
694 1 2 . 1 1 30 30 SER CB C 30 62.400 62.400 63.311 -0.911 25449
695 1 2 . 1 1 30 30 SER H H 30 7.270 7.270 8.096 -0.826 25449
696 1 2 . 1 1 31 31 PHE N N 31 115.600 115.600 121.970 -6.370 25449
697 1 2 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.607 -0.327 25449
698 1 2 . 1 1 31 31 PHE C C 31 174.100 174.100 176.288 -2.188 25449
699 1 2 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.080 -0.180 25449
700 1 2 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.244 -0.944 25449
701 1 2 . 1 1 31 31 PHE H H 31 6.980 6.980 7.973 -0.993 25449
702 1 2 . 1 1 32 32 GLY N N 32 104.900 104.900 107.326 -2.426 25449
703 1 2 . 1 1 32 32 GLY C C 32 171.600 171.600 173.028 -1.428 25449
704 1 2 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.620 -0.320 25449
705 1 2 . 1 1 32 32 GLY H H 32 7.300 7.300 7.662 -0.362 25449
706 1 2 . 1 1 33 33 ASP N N 33 116.100 116.100 126.073 -9.973 25449
707 1 2 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.524 -0.014 25449
708 1 2 . 1 1 33 33 ASP C C 33 176.800 176.800 174.570 2.230 25449
709 1 2 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.695 -0.295 25449
710 1 2 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.434 -1.834 25449
711 1 2 . 1 1 33 33 ASP H H 33 8.120 8.120 8.320 -0.200 25449
712 1 2 . 1 1 34 34 ILE N N 34 126.400 126.400 118.958 7.442 25449
713 1 2 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.108 -0.258 25449
714 1 2 . 1 1 34 34 ILE C C 34 176.200 176.200 176.359 -0.159 25449
715 1 2 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.284 1.916 25449
716 1 2 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.826 1.074 25449
717 1 2 . 1 1 34 34 ILE H H 34 8.670 8.670 8.172 0.498 25449
718 1 2 . 1 1 35 35 ARG N N 35 128.900 128.900 127.443 1.457 25449
719 1 2 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.154 0.006 25449
720 1 2 . 1 1 35 35 ARG C C 35 175.600 175.600 176.241 -0.641 25449
721 1 2 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.724 -0.224 25449
722 1 2 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.053 0.647 25449
723 1 2 . 1 1 35 35 ARG H H 35 9.320 9.320 8.609 0.711 25449
724 1 2 . 1 1 36 36 ASN N N 36 114.300 114.300 115.408 -1.108 25449
725 1 2 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449
726 1 2 . 1 1 36 36 ASN C C 36 172.000 172.000 172.987 -0.987 25449
727 1 2 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.464 0.036 25449
728 1 2 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.628 1.972 25449
729 1 2 . 1 1 36 36 ASN H H 36 7.620 7.620 8.069 -0.449 25449
730 1 2 . 1 1 37 37 ILE N N 37 122.700 122.700 123.480 -0.780 25449
731 1 2 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.519 0.251 25449
732 1 2 . 1 1 37 37 ILE C C 37 173.300 173.300 174.899 -1.599 25449
733 1 2 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.690 -0.090 25449
734 1 2 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.545 1.655 25449
735 1 2 . 1 1 37 37 ILE H H 37 8.030 8.030 8.468 -0.438 25449
736 1 2 . 1 1 38 38 GLU N N 38 126.700 126.700 128.727 -2.027 25449
737 1 2 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.641 0.019 25449
738 1 2 . 1 1 38 38 GLU C C 38 174.800 174.800 174.197 0.603 25449
739 1 2 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.390 -0.990 25449
740 1 2 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.038 2.362 25449
741 1 2 . 1 1 38 38 GLU H H 38 8.870 8.870 8.515 0.355 25449
742 1 2 . 1 1 39 39 VAL N N 39 126.400 126.400 127.437 -1.037 25449
743 1 2 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.947 -0.247 25449
744 1 2 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.897 -0.297 25449
745 1 2 . 1 1 39 39 VAL H H 39 8.970 8.970 8.334 0.636 25449
746 1 2 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.362 -0.132 25449
747 1 2 . 1 1 40 40 PRO C C 40 176.300 176.300 175.263 1.037 25449
748 1 2 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.905 0.395 25449
749 1 2 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.241 0.259 25449
750 1 2 . 1 1 41 41 LEU N N 41 120.700 120.700 122.302 -1.602 25449
751 1 2 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.778 -0.258 25449
752 1 2 . 1 1 41 41 LEU C C 41 177.900 177.900 175.846 2.054 25449
753 1 2 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.449 -0.349 25449
754 1 2 . 1 1 41 41 LEU CB C 41 44.300 44.300 46.379 -2.079 25449
755 1 2 . 1 1 41 41 LEU H H 41 8.520 8.520 8.095 0.425 25449
756 1 2 . 1 1 42 42 ASN N N 42 121.400 121.400 119.912 1.488 25449
757 1 2 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.949 -0.389 25449
758 1 2 . 1 1 42 42 ASN C C 42 176.700 176.700 176.241 0.459 25449
759 1 2 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.070 0.830 25449
760 1 2 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.351 -1.351 25449
761 1 2 . 1 1 42 42 ASN H H 42 8.740 8.740 8.373 0.367 25449
762 1 2 . 1 1 43 43 MET N N 43 125.500 125.500 123.495 2.005 25449
763 1 2 . 1 1 43 43 MET HA H 43 4.210 4.210 4.510 -0.300 25449
764 1 2 . 1 1 43 43 MET C C 43 177.200 177.200 176.733 0.467 25449
765 1 2 . 1 1 43 43 MET CA C 43 57.100 57.100 56.869 0.231 25449
766 1 2 . 1 1 43 43 MET CB C 43 31.600 31.600 32.060 -0.460 25449
767 1 2 . 1 1 43 43 MET H H 43 9.080 9.080 8.905 0.175 25449
768 1 2 . 1 1 44 44 THR N N 44 114.400 114.400 113.790 0.610 25449
769 1 2 . 1 1 44 44 THR HA H 44 4.160 4.160 4.368 -0.208 25449
770 1 2 . 1 1 44 44 THR C C 44 175.900 175.900 175.706 0.194 25449
771 1 2 . 1 1 44 44 THR CA C 44 65.200 65.200 63.986 1.214 25449
772 1 2 . 1 1 44 44 THR CB C 44 68.700 68.700 69.248 -0.548 25449
773 1 2 . 1 1 44 44 THR H H 44 8.590 8.590 7.979 0.611 25449
774 1 2 . 1 1 45 45 THR N N 45 110.300 110.300 111.409 -1.109 25449
775 1 2 . 1 1 45 45 THR HA H 45 4.160 4.160 4.411 -0.251 25449
776 1 2 . 1 1 45 45 THR C C 45 175.500 175.500 174.247 1.253 25449
777 1 2 . 1 1 45 45 THR CA C 45 62.000 62.000 61.478 0.522 25449
778 1 2 . 1 1 45 45 THR CB C 45 70.000 70.000 69.814 0.186 25449
779 1 2 . 1 1 45 45 THR H H 45 7.610 7.610 7.601 0.009 25449
780 1 2 . 1 1 46 46 LYS N N 46 115.700 115.700 119.714 -4.014 25449
781 1 2 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.920 -0.200 25449
782 1 2 . 1 1 46 46 LYS C C 46 174.600 174.600 175.413 -0.813 25449
783 1 2 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.385 0.215 25449
784 1 2 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.721 -1.821 25449
785 1 2 . 1 1 46 46 LYS H H 46 8.460 8.460 8.036 0.424 25449
786 1 2 . 1 1 47 47 LYS N N 47 117.100 117.100 117.867 -0.767 25449
787 1 2 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.136 0.544 25449
788 1 2 . 1 1 47 47 LYS C C 47 176.300 176.300 176.866 -0.566 25449
789 1 2 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.872 -2.872 25449
790 1 2 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.660 2.440 25449
791 1 2 . 1 1 47 47 LYS H H 47 7.610 7.610 7.368 0.242 25449
792 1 2 . 1 1 48 48 ASN N N 48 117.700 117.700 119.414 -1.714 25449
793 1 2 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.828 -0.128 25449
794 1 2 . 1 1 48 48 ASN C C 48 174.000 174.000 175.250 -1.250 25449
795 1 2 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.074 1.526 25449
796 1 2 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.112 -1.412 25449
797 1 2 . 1 1 48 48 ASN H H 48 8.740 8.740 8.730 0.010 25449
798 1 2 . 1 1 49 49 ARG N N 49 116.800 116.800 117.202 -0.402 25449
799 1 2 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.040 0.310 25449
800 1 2 . 1 1 49 49 ARG C C 49 177.500 177.500 176.531 0.969 25449
801 1 2 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.659 -1.059 25449
802 1 2 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.191 4.410 25449
803 1 2 . 1 1 49 49 ARG H H 49 8.530 8.530 8.076 0.454 25449
804 1 2 . 1 1 50 50 GLY N N 50 108.300 108.300 106.414 1.886 25449
805 1 2 . 1 1 50 50 GLY C C 50 173.500 173.500 173.530 -0.030 25449
806 1 2 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.377 0.423 25449
807 1 2 . 1 1 50 50 GLY H H 50 8.900 8.900 8.845 0.055 25449
808 1 2 . 1 1 51 51 PHE N N 51 113.900 113.900 116.548 -2.648 25449
809 1 2 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.713 0.757 25449
810 1 2 . 1 1 51 51 PHE C C 51 172.000 172.000 172.140 -0.140 25449
811 1 2 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.271 -1.271 25449
812 1 2 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.542 2.158 25449
813 1 2 . 1 1 51 51 PHE H H 51 6.910 6.910 7.383 -0.473 25449
814 1 2 . 1 1 52 52 ALA N N 52 120.500 120.500 124.917 -4.417 25449
815 1 2 . 1 1 52 52 ALA HA H 52 4.630 4.630 3.947 0.683 25449
816 1 2 . 1 1 52 52 ALA C C 52 173.900 173.900 174.430 -0.530 25449
817 1 2 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.161 -0.961 25449
818 1 2 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.712 3.388 25449
819 1 2 . 1 1 52 52 ALA H H 52 8.810 8.810 7.584 1.226 25449
820 1 2 . 1 1 53 53 PHE N N 53 115.000 115.000 119.555 -4.555 25449
821 1 2 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.826 0.834 25449
822 1 2 . 1 1 53 53 PHE C C 53 175.600 175.600 174.782 0.818 25449
823 1 2 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.666 0.534 25449
824 1 2 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.267 1.133 25449
825 1 2 . 1 1 53 53 PHE H H 53 8.730 8.730 7.778 0.952 25449
826 1 2 . 1 1 54 54 VAL N N 54 122.300 122.300 121.735 0.565 25449
827 1 2 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.267 -0.167 25449
828 1 2 . 1 1 54 54 VAL C C 54 173.000 173.000 174.345 -1.345 25449
829 1 2 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.534 0.166 25449
830 1 2 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.459 -0.059 25449
831 1 2 . 1 1 54 54 VAL H H 54 9.060 9.060 8.325 0.735 25449
832 1 2 . 1 1 55 55 GLU N N 55 127.300 127.300 126.764 0.536 25449
833 1 2 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.796 0.364 25449
834 1 2 . 1 1 55 55 GLU C C 55 175.900 175.900 175.746 0.154 25449
835 1 2 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.469 -0.469 25449
836 1 2 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.228 0.472 25449
837 1 2 . 1 1 55 55 GLU H H 55 8.860 8.860 8.320 0.540 25449
838 1 2 . 1 1 56 56 TYR N N 56 127.500 127.500 124.341 3.159 25449
839 1 2 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.503 0.017 25449
840 1 2 . 1 1 56 56 TYR C C 56 175.000 175.000 176.386 -1.386 25449
841 1 2 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.111 0.589 25449
842 1 2 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.133 0.067 25449
843 1 2 . 1 1 56 56 TYR H H 56 9.470 9.470 8.279 1.191 25449
844 1 2 . 1 1 57 57 VAL N N 57 119.200 119.200 118.917 0.283 25449
845 1 2 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.043 -0.473 25449
846 1 2 . 1 1 57 57 VAL C C 57 177.000 177.000 175.014 1.986 25449
847 1 2 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.769 2.531 25449
848 1 2 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.584 -0.584 25449
849 1 2 . 1 1 57 57 VAL H H 57 7.800 7.800 8.629 -0.829 25449
850 1 2 . 1 1 58 58 GLU N N 58 118.500 118.500 119.470 -0.970 25449
851 1 2 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.597 0.183 25449
852 1 2 . 1 1 58 58 GLU C C 58 177.500 177.500 176.494 1.006 25449
853 1 2 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.213 -1.413 25449
854 1 2 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.667 -0.167 25449
855 1 2 . 1 1 58 58 GLU H H 58 9.530 9.530 8.092 1.438 25449
856 1 2 . 1 1 59 59 VAL N N 59 125.200 125.200 124.991 0.209 25449
857 1 2 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.831 -0.301 25449
858 1 2 . 1 1 59 59 VAL C C 59 177.600 177.600 177.011 0.589 25449
859 1 2 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.984 1.116 25449
860 1 2 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.246 -0.546 25449
861 1 2 . 1 1 59 59 VAL H H 59 8.650 8.650 8.666 -0.016 25449
862 1 2 . 1 1 60 60 ASP N N 60 118.500 118.500 119.367 -0.867 25449
863 1 2 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449
864 1 2 . 1 1 60 60 ASP C C 60 178.300 178.300 177.675 0.625 25449
865 1 2 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.606 -0.006 25449
866 1 2 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.568 -0.068 25449
867 1 2 . 1 1 60 60 ASP H H 60 8.970 8.970 8.527 0.443 25449
868 1 2 . 1 1 61 61 ASP N N 61 119.900 119.900 119.978 -0.078 25449
869 1 2 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.446 -0.086 25449
870 1 2 . 1 1 61 61 ASP C C 61 176.800 176.800 178.316 -1.516 25449
871 1 2 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.316 -0.416 25449
872 1 2 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.459 -0.659 25449
873 1 2 . 1 1 61 61 ASP H H 61 6.920 6.920 8.553 -1.633 25449
874 1 2 . 1 1 62 62 ALA N N 62 122.700 122.700 122.023 0.677 25449
875 1 2 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.284 0.096 25449
876 1 2 . 1 1 62 62 ALA C C 62 171.600 171.600 179.165 -7.565 25449
877 1 2 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.848 0.252 25449
878 1 2 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.219 -0.019 25449
879 1 2 . 1 1 62 62 ALA H H 62 6.910 6.910 7.642 -0.732 25449
880 1 2 . 1 1 63 63 LYS N N 63 116.200 116.200 118.636 -2.436 25449
881 1 2 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.869 0.321 25449
882 1 2 . 1 1 63 63 LYS C C 63 179.200 179.200 179.010 0.190 25449
883 1 2 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.905 -0.605 25449
884 1 2 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.147 0.453 25449
885 1 2 . 1 1 63 63 LYS H H 63 8.020 8.020 7.733 0.287 25449
886 1 2 . 1 1 64 64 HIS N N 64 117.400 117.400 117.226 0.174 25449
887 1 2 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.350 -0.040 25449
888 1 2 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.576 -0.576 25449
889 1 2 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.800 -0.700 25449
890 1 2 . 1 1 64 64 HIS H H 64 7.460 7.460 7.464 -0.004 25449
891 1 2 . 1 1 65 65 ALA N N 65 123.700 123.700 121.829 1.871 25449
892 1 2 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.957 -1.787 25449
893 1 2 . 1 1 65 65 ALA C C 65 178.700 178.700 179.614 -0.914 25449
894 1 2 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.707 0.093 25449
895 1 2 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.399 1.001 25449
896 1 2 . 1 1 65 65 ALA H H 65 8.190 8.190 7.650 0.540 25449
897 1 2 . 1 1 66 66 LEU N N 66 119.800 119.800 119.210 0.590 25449
898 1 2 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.131 -0.702 25449
899 1 2 . 1 1 66 66 LEU C C 66 178.700 178.700 178.878 -0.178 25449
900 1 2 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.617 2.083 25449
901 1 2 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.720 -0.620 25449
902 1 2 . 1 1 66 66 LEU H H 66 8.340 8.340 7.625 0.715 25449
903 1 2 . 1 1 67 67 TYR N N 67 116.200 116.200 119.629 -3.429 25449
904 1 2 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.154 -0.144 25449
905 1 2 . 1 1 67 67 TYR C C 67 177.700 177.700 176.729 0.971 25449
906 1 2 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.641 -1.141 25449
907 1 2 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.370 -0.270 25449
908 1 2 . 1 1 67 67 TYR H H 67 7.760 7.760 7.912 -0.152 25449
909 1 2 . 1 1 68 68 ASN N N 68 113.900 113.900 114.751 -0.851 25449
910 1 2 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.688 -0.258 25449
911 1 2 . 1 1 68 68 ASN C C 68 176.400 176.400 175.681 0.719 25449
912 1 2 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.194 1.405 25449
913 1 2 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.487 2.913 25449
914 1 2 . 1 1 68 68 ASN H H 68 7.480 7.480 7.744 -0.264 25449
915 1 2 . 1 1 69 69 MET N N 69 114.900 114.900 116.652 -1.752 25449
916 1 2 . 1 1 69 69 MET HA H 69 4.760 4.760 4.588 0.172 25449
917 1 2 . 1 1 69 69 MET C C 69 177.000 177.000 177.490 -0.490 25449
918 1 2 . 1 1 69 69 MET CA C 69 53.500 53.500 54.037 -0.537 25449
919 1 2 . 1 1 69 69 MET CB C 69 31.100 31.100 32.428 -1.328 25449
920 1 2 . 1 1 69 69 MET H H 69 8.310 8.310 7.718 0.592 25449
921 1 2 . 1 1 70 70 ASN N N 70 117.700 117.700 119.136 -1.436 25449
922 1 2 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.632 -0.262 25449
923 1 2 . 1 1 70 70 ASN C C 70 176.400 176.400 175.951 0.449 25449
924 1 2 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.357 0.743 25449
925 1 2 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.064 0.636 25449
926 1 2 . 1 1 70 70 ASN H H 70 7.660 7.660 8.107 -0.447 25449
927 1 2 . 1 1 71 71 ASN N N 71 121.500 121.500 115.988 5.512 25449
928 1 2 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.689 -0.179 25449
929 1 2 . 1 1 71 71 ASN C C 71 173.300 173.300 174.113 -0.813 25449
930 1 2 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.674 3.126 25449
931 1 2 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.081 0.119 25449
932 1 2 . 1 1 71 71 ASN H H 71 8.600 8.600 8.413 0.187 25449
933 1 2 . 1 1 72 72 PHE N N 72 122.300 122.300 122.220 0.080 25449
934 1 2 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.599 -0.409 25449
935 1 2 . 1 1 72 72 PHE C C 72 174.100 174.100 173.760 0.340 25449
936 1 2 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.718 1.982 25449
937 1 2 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.911 0.389 25449
938 1 2 . 1 1 72 72 PHE H H 72 7.870 7.870 7.472 0.398 25449
939 1 2 . 1 1 73 73 GLU N N 73 126.100 126.100 127.186 -1.086 25449
940 1 2 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.316 -0.086 25449
941 1 2 . 1 1 73 73 GLU C C 73 173.000 173.000 174.022 -1.022 25449
942 1 2 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.167 1.433 25449
943 1 2 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.279 -0.979 25449
944 1 2 . 1 1 73 73 GLU H H 73 7.690 7.690 8.272 -0.582 25449
945 1 2 . 1 1 74 74 LEU N N 74 128.900 128.900 123.291 5.609 25449
946 1 2 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.319 0.201 25449
947 1 2 . 1 1 74 74 LEU C C 74 175.500 175.500 175.765 -0.265 25449
948 1 2 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.682 -1.382 25449
949 1 2 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.721 0.879 25449
950 1 2 . 1 1 74 74 LEU H H 74 8.620 8.620 8.736 -0.116 25449
951 1 2 . 1 1 75 75 ASN N N 75 126.800 126.800 125.323 1.477 25449
952 1 2 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.439 -0.229 25449
953 1 2 . 1 1 75 75 ASN C C 75 175.600 175.600 175.532 0.068 25449
954 1 2 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.813 0.087 25449
955 1 2 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.048 -0.148 25449
956 1 2 . 1 1 75 75 ASN H H 75 9.520 9.520 9.150 0.370 25449
957 1 2 . 1 1 76 76 GLY N N 76 102.300 102.300 101.783 0.517 25449
958 1 2 . 1 1 76 76 GLY C C 76 173.600 173.600 174.000 -0.400 25449
959 1 2 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.404 -0.104 25449
960 1 2 . 1 1 76 76 GLY H H 76 8.500 8.500 8.538 -0.038 25449
961 1 2 . 1 1 77 77 LYS N N 77 120.800 120.800 118.915 1.885 25449
962 1 2 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.510 0.060 25449
963 1 2 . 1 1 77 77 LYS C C 77 175.100 175.100 174.374 0.726 25449
964 1 2 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.268 -0.068 25449
965 1 2 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.040 -0.540 25449
966 1 2 . 1 1 77 77 LYS H H 77 7.580 7.580 7.350 0.230 25449
967 1 2 . 1 1 78 78 ARG N N 78 123.300 123.300 123.743 -0.443 25449
968 1 2 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.382 0.098 25449
969 1 2 . 1 1 78 78 ARG C C 78 176.600 176.600 175.051 1.549 25449
970 1 2 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.741 -0.441 25449
971 1 2 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.292 -0.992 25449
972 1 2 . 1 1 78 78 ARG H H 78 8.580 8.580 8.452 0.128 25449
973 1 2 . 1 1 79 79 ILE N N 79 120.100 120.100 120.769 -0.669 25449
974 1 2 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.550 0.150 25449
975 1 2 . 1 1 79 79 ILE C C 79 175.200 175.200 174.944 0.256 25449
976 1 2 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.699 0.301 25449
977 1 2 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.502 -0.102 25449
978 1 2 . 1 1 79 79 ILE H H 79 8.450 8.450 8.374 0.076 25449
979 1 2 . 1 1 80 80 HIS N N 80 119.900 119.900 125.602 -5.702 25449
980 1 2 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.852 0.338 25449
981 1 2 . 1 1 80 80 HIS C C 80 173.600 173.600 174.582 -0.982 25449
982 1 2 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.473 -1.673 25449
983 1 2 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.925 0.375 25449
984 1 2 . 1 1 80 80 HIS H H 80 8.580 8.580 8.290 0.290 25449
985 1 2 . 1 1 81 81 VAL N N 81 123.800 123.800 126.236 -2.436 25449
986 1 2 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.061 0.219 25449
987 1 2 . 1 1 81 81 VAL C C 81 173.600 173.600 174.986 -1.386 25449
988 1 2 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.341 -1.141 25449
989 1 2 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.074 1.926 25449
990 1 2 . 1 1 81 81 VAL H H 81 8.650 8.650 8.722 -0.072 25449
991 1 2 . 1 1 82 82 ASN N N 82 121.100 121.100 122.999 -1.899 25449
992 1 2 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.183 -0.433 25449
993 1 2 . 1 1 82 82 ASN C C 82 174.000 174.000 173.258 0.742 25449
994 1 2 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.454 -0.554 25449
995 1 2 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.548 0.352 25449
996 1 2 . 1 1 82 82 ASN H H 82 8.890 8.890 8.354 0.536 25449
997 1 2 . 1 1 83 83 TYR N N 83 120.400 120.400 120.290 0.110 25449
998 1 2 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.925 -0.125 25449
999 1 2 . 1 1 83 83 TYR C C 83 177.100 177.100 174.923 2.177 25449
1000 1 2 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.403 1.997 25449
1001 1 2 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.070 -1.370 25449
1002 1 2 . 1 1 83 83 TYR H H 83 8.480 8.480 8.789 -0.309 25449
1003 1 2 . 1 1 84 84 SER N N 84 118.000 118.000 117.251 0.749 25449
1004 1 2 . 1 1 84 84 SER HA H 84 4.520 4.520 4.444 0.076 25449
1005 1 2 . 1 1 84 84 SER C C 84 174.100 174.100 171.865 2.235 25449
1006 1 2 . 1 1 84 84 SER CA C 84 57.700 57.700 56.701 0.999 25449
1007 1 2 . 1 1 84 84 SER CB C 84 64.300 64.300 65.977 -1.677 25449
1008 1 2 . 1 1 84 84 SER H H 84 9.040 9.040 7.546 1.494 25449
1009 1 2 . 1 1 85 85 LYS N N 85 125.300 125.300 120.484 4.816 25449
1010 1 2 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.285 0.154 25449
1011 1 2 . 1 1 85 85 LYS C C 85 175.600 175.600 175.535 0.065 25449
1012 1 2 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.265 1.035 25449
1013 1 2 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.407 0.293 25449
1014 1 2 . 1 1 85 85 LYS H H 85 8.410 8.410 8.150 0.260 25449
1015 1 3 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.083 -0.483 25449
1016 1 3 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.621 -0.211 25449
1017 1 3 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.674 -1.674 25449
1018 1 3 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.503 0.697 25449
1019 1 3 . 1 1 -1 -1 SER CB C -1 63.900 63.900 66.106 -2.206 25449
1020 1 3 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.107 0.563 25449
1021 1 3 . 1 1 0 0 HIS N N 0 121.200 121.200 120.934 0.266 25449
1022 1 3 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.636 -0.046 25449
1023 1 3 . 1 1 0 0 HIS C C 0 174.800 174.800 174.130 0.670 25449
1024 1 3 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.370 -0.271 25449
1025 1 3 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.661 0.239 25449
1026 1 3 . 1 1 0 0 HIS H H 0 8.730 8.730 8.659 0.071 25449
1027 1 3 . 1 1 1 1 MET N N 1 121.800 121.800 124.853 -3.053 25449
1028 1 3 . 1 1 1 1 MET HA H 1 4.370 4.370 4.768 -0.398 25449
1029 1 3 . 1 1 1 1 MET C C 1 176.300 176.300 175.068 1.232 25449
1030 1 3 . 1 1 1 1 MET CA C 1 55.700 55.700 54.699 1.001 25449
1031 1 3 . 1 1 1 1 MET CB C 1 32.800 32.800 33.284 -0.484 25449
1032 1 3 . 1 1 1 1 MET H H 1 8.450 8.450 8.146 0.304 25449
1033 1 3 . 1 1 2 2 SER N N 2 116.700 116.700 119.501 -2.801 25449
1034 1 3 . 1 1 2 2 SER HA H 2 4.370 4.370 4.852 -0.482 25449
1035 1 3 . 1 1 2 2 SER C C 2 174.200 174.200 173.122 1.078 25449
1036 1 3 . 1 1 2 2 SER CA C 2 58.400 58.400 56.808 1.592 25449
1037 1 3 . 1 1 2 2 SER CB C 2 63.800 63.800 64.831 -1.031 25449
1038 1 3 . 1 1 2 2 SER H H 2 8.410 8.410 8.761 -0.351 25449
1039 1 3 . 1 1 3 3 ASP N N 3 122.100 122.100 124.212 -2.112 25449
1040 1 3 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.916 -0.366 25449
1041 1 3 . 1 1 3 3 ASP C C 3 176.100 176.100 175.471 0.629 25449
1042 1 3 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.502 0.998 25449
1043 1 3 . 1 1 3 3 ASP CB C 3 41.200 41.200 39.581 1.619 25449
1044 1 3 . 1 1 3 3 ASP H H 3 8.340 8.340 8.617 -0.277 25449
1045 1 3 . 1 1 4 4 ASN N N 4 119.100 119.100 121.504 -2.404 25449
1046 1 3 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.888 -0.308 25449
1047 1 3 . 1 1 4 4 ASN C C 4 174.900 174.900 174.662 0.238 25449
1048 1 3 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.478 1.222 25449
1049 1 3 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.551 -1.651 25449
1050 1 3 . 1 1 4 4 ASN H H 4 8.420 8.420 7.903 0.517 25449
1051 1 3 . 1 1 5 5 ASN N N 5 118.400 118.400 118.848 -0.448 25449
1052 1 3 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.694 -0.154 25449
1053 1 3 . 1 1 5 5 ASN C C 5 173.900 173.900 174.589 -0.689 25449
1054 1 3 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.930 0.270 25449
1055 1 3 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.234 0.466 25449
1056 1 3 . 1 1 5 5 ASN H H 5 8.340 8.340 8.481 -0.141 25449
1057 1 3 . 1 1 6 6 ALA N N 6 122.100 122.100 122.977 -0.877 25449
1058 1 3 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.818 -1.078 25449
1059 1 3 . 1 1 6 6 ALA C C 6 177.000 177.000 176.770 0.230 25449
1060 1 3 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.684 -0.384 25449
1061 1 3 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.120 1.880 25449
1062 1 3 . 1 1 6 6 ALA H H 6 7.590 7.590 7.708 -0.118 25449
1063 1 3 . 1 1 7 7 THR N N 7 112.700 112.700 118.756 -6.056 25449
1064 1 3 . 1 1 7 7 THR HA H 7 4.390 4.390 4.501 -0.111 25449
1065 1 3 . 1 1 7 7 THR C C 7 171.700 171.700 174.715 -3.015 25449
1066 1 3 . 1 1 7 7 THR CA C 7 59.800 59.800 61.117 -1.317 25449
1067 1 3 . 1 1 7 7 THR CB C 7 70.600 70.600 70.995 -0.395 25449
1068 1 3 . 1 1 7 7 THR H H 7 6.840 6.840 7.539 -0.699 25449
1069 1 3 . 1 1 8 8 ASP N N 8 114.600 114.600 122.714 -8.114 25449
1070 1 3 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.314 0.176 25449
1071 1 3 . 1 1 8 8 ASP C C 8 174.300 174.300 174.540 -0.240 25449
1072 1 3 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.726 -2.226 25449
1073 1 3 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.216 -0.416 25449
1074 1 3 . 1 1 8 8 ASP H H 8 8.170 8.170 8.705 -0.535 25449
1075 1 3 . 1 1 9 9 ILE N N 9 117.800 117.800 118.818 -1.018 25449
1076 1 3 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.076 -0.266 25449
1077 1 3 . 1 1 9 9 ILE C C 9 174.700 174.700 174.405 0.295 25449
1078 1 3 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.291 0.309 25449
1079 1 3 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.546 -0.246 25449
1080 1 3 . 1 1 9 9 ILE H H 9 7.890 7.890 7.429 0.461 25449
1081 1 3 . 1 1 10 10 LEU N N 10 125.300 125.300 127.424 -2.124 25449
1082 1 3 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.781 0.179 25449
1083 1 3 . 1 1 10 10 LEU C C 10 176.100 176.100 175.188 0.912 25449
1084 1 3 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.230 -1.329 25449
1085 1 3 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.739 -1.639 25449
1086 1 3 . 1 1 10 10 LEU H H 10 9.370 9.370 8.293 1.077 25449
1087 1 3 . 1 1 11 11 PHE N N 11 124.300 124.300 127.592 -3.292 25449
1088 1 3 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.708 -0.038 25449
1089 1 3 . 1 1 11 11 PHE C C 11 173.400 173.400 173.762 -0.362 25449
1090 1 3 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.047 -0.048 25449
1091 1 3 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.882 0.818 25449
1092 1 3 . 1 1 11 11 PHE H H 11 9.310 9.310 8.597 0.713 25449
1093 1 3 . 1 1 12 12 VAL N N 12 128.300 128.300 126.903 1.397 25449
1094 1 3 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.637 -0.217 25449
1095 1 3 . 1 1 12 12 VAL C C 12 173.900 173.900 175.140 -1.240 25449
1096 1 3 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.754 0.446 25449
1097 1 3 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.408 1.692 25449
1098 1 3 . 1 1 12 12 VAL H H 12 8.380 8.380 7.723 0.657 25449
1099 1 3 . 1 1 13 13 GLY N N 13 111.800 111.800 111.304 0.496 25449
1100 1 3 . 1 1 13 13 GLY C C 13 173.800 173.800 173.880 -0.080 25449
1101 1 3 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.067 0.333 25449
1102 1 3 . 1 1 13 13 GLY H H 13 9.150 9.150 7.417 1.733 25449
1103 1 3 . 1 1 14 14 GLY N N 14 107.600 107.600 108.135 -0.535 25449
1104 1 3 . 1 1 14 14 GLY C C 14 175.400 175.400 173.379 2.021 25449
1105 1 3 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.095 0.705 25449
1106 1 3 . 1 1 14 14 GLY H H 14 8.260 8.260 8.102 0.158 25449
1107 1 3 . 1 1 15 15 ILE N N 15 111.100 111.100 116.618 -5.518 25449
1108 1 3 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.313 -0.273 25449
1109 1 3 . 1 1 15 15 ILE C C 15 175.500 175.500 174.585 0.915 25449
1110 1 3 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.831 1.669 25449
1111 1 3 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.793 -1.293 25449
1112 1 3 . 1 1 15 15 ILE H H 15 6.930 6.930 7.439 -0.509 25449
1113 1 3 . 1 1 16 16 ASP N N 16 122.800 122.800 122.331 0.469 25449
1114 1 3 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.569 0.011 25449
1115 1 3 . 1 1 16 16 ASP C C 16 177.200 177.200 176.929 0.271 25449
1116 1 3 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.575 0.124 25449
1117 1 3 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.811 -0.311 25449
1118 1 3 . 1 1 16 16 ASP H H 16 8.320 8.320 8.570 -0.250 25449
1119 1 3 . 1 1 17 17 GLU N N 17 119.600 119.600 120.031 -0.431 25449
1120 1 3 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.203 -0.063 25449
1121 1 3 . 1 1 17 17 GLU C C 17 176.800 176.800 176.105 0.695 25449
1122 1 3 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.093 1.507 25449
1123 1 3 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.937 0.863 25449
1124 1 3 . 1 1 17 17 GLU H H 17 8.830 8.830 8.746 0.084 25449
1125 1 3 . 1 1 18 18 THR N N 18 111.300 111.300 114.528 -3.228 25449
1126 1 3 . 1 1 18 18 THR HA H 18 4.250 4.250 4.480 -0.230 25449
1127 1 3 . 1 1 18 18 THR C C 18 175.200 175.200 174.790 0.410 25449
1128 1 3 . 1 1 18 18 THR CA C 18 62.600 62.600 61.724 0.876 25449
1129 1 3 . 1 1 18 18 THR CB C 18 69.600 69.600 69.793 -0.193 25449
1130 1 3 . 1 1 18 18 THR H H 18 8.740 8.740 7.727 1.013 25449
1131 1 3 . 1 1 19 19 ILE N N 19 123.300 123.300 119.961 3.339 25449
1132 1 3 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.338 -0.458 25449
1133 1 3 . 1 1 19 19 ILE C C 19 174.300 174.300 174.229 0.071 25449
1134 1 3 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.806 1.094 25449
1135 1 3 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.416 -2.816 25449
1136 1 3 . 1 1 19 19 ILE H H 19 7.220 7.220 7.436 -0.216 25449
1137 1 3 . 1 1 20 20 ASP N N 20 125.600 125.600 123.674 1.926 25449
1138 1 3 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.832 -0.192 25449
1139 1 3 . 1 1 20 20 ASP C C 20 175.300 175.300 177.308 -2.008 25449
1140 1 3 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.702 -1.202 25449
1141 1 3 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.665 -0.665 25449
1142 1 3 . 1 1 20 20 ASP H H 20 7.790 7.790 8.529 -0.739 25449
1143 1 3 . 1 1 21 21 GLU N N 21 118.400 118.400 119.382 -0.982 25449
1144 1 3 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.023 -0.393 25449
1145 1 3 . 1 1 21 21 GLU C C 21 177.900 177.900 178.076 -0.176 25449
1146 1 3 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.396 0.504 25449
1147 1 3 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.430 -0.230 25449
1148 1 3 . 1 1 21 21 GLU H H 21 9.220 9.220 8.497 0.723 25449
1149 1 3 . 1 1 22 22 LYS N N 22 119.700 119.700 117.751 1.949 25449
1150 1 3 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.268 -0.208 25449
1151 1 3 . 1 1 22 22 LYS C C 22 178.500 178.500 178.428 0.072 25449
1152 1 3 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.879 0.421 25449
1153 1 3 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.598 0.202 25449
1154 1 3 . 1 1 22 22 LYS H H 22 8.040 8.040 8.396 -0.356 25449
1155 1 3 . 1 1 23 23 SER N N 23 114.900 114.900 117.098 -2.198 25449
1156 1 3 . 1 1 23 23 SER HA H 23 4.300 4.300 4.321 -0.021 25449
1157 1 3 . 1 1 23 23 SER C C 23 177.600 177.600 176.404 1.196 25449
1158 1 3 . 1 1 23 23 SER CA C 23 61.800 61.800 61.311 0.489 25449
1159 1 3 . 1 1 23 23 SER CB C 23 62.900 62.900 62.403 0.497 25449
1160 1 3 . 1 1 23 23 SER H H 23 8.240 8.240 8.261 -0.021 25449
1161 1 3 . 1 1 24 24 LEU N N 24 118.800 118.800 121.255 -2.455 25449
1162 1 3 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.348 -0.168 25449
1163 1 3 . 1 1 24 24 LEU C C 24 178.700 178.700 178.828 -0.128 25449
1164 1 3 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.515 0.785 25449
1165 1 3 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.589 0.511 25449
1166 1 3 . 1 1 24 24 LEU H H 24 7.750 7.750 7.431 0.319 25449
1167 1 3 . 1 1 25 25 TYR N N 25 123.200 123.200 121.068 2.132 25449
1168 1 3 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.105 -0.475 25449
1169 1 3 . 1 1 25 25 TYR C C 25 178.600 178.600 177.057 1.543 25449
1170 1 3 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.262 1.938 25449
1171 1 3 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.696 -0.496 25449
1172 1 3 . 1 1 25 25 TYR H H 25 8.970 8.970 7.498 1.472 25449
1173 1 3 . 1 1 26 26 ASP N N 26 119.800 119.800 119.198 0.602 25449
1174 1 3 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.565 -0.295 25449
1175 1 3 . 1 1 26 26 ASP C C 26 177.900 177.900 179.154 -1.254 25449
1176 1 3 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.755 -0.055 25449
1177 1 3 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.351 -1.351 25449
1178 1 3 . 1 1 26 26 ASP H H 26 8.510 8.510 7.853 0.657 25449
1179 1 3 . 1 1 27 27 ILE N N 27 114.700 114.700 119.734 -5.034 25449
1180 1 3 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.849 0.111 25449
1181 1 3 . 1 1 27 27 ILE C C 27 177.700 177.700 177.668 0.032 25449
1182 1 3 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.917 -1.617 25449
1183 1 3 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.245 0.755 25449
1184 1 3 . 1 1 27 27 ILE H H 27 7.320 7.320 7.871 -0.551 25449
1185 1 3 . 1 1 28 28 PHE N N 28 116.900 116.900 115.961 0.939 25449
1186 1 3 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.594 -0.224 25449
1187 1 3 . 1 1 28 28 PHE C C 28 179.900 179.900 176.367 3.533 25449
1188 1 3 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.746 3.554 25449
1189 1 3 . 1 1 28 28 PHE CB C 28 37.300 37.300 39.136 -1.837 25449
1190 1 3 . 1 1 28 28 PHE H H 28 8.650 8.650 8.236 0.414 25449
1191 1 3 . 1 1 29 29 SER N N 29 120.100 120.100 113.062 7.038 25449
1192 1 3 . 1 1 29 29 SER HA H 29 4.410 4.410 4.627 -0.217 25449
1193 1 3 . 1 1 29 29 SER C C 29 175.600 175.600 175.540 0.060 25449
1194 1 3 . 1 1 29 29 SER CA C 29 61.300 61.300 59.218 2.082 25449
1195 1 3 . 1 1 29 29 SER CB C 29 62.200 62.200 62.767 -0.567 25449
1196 1 3 . 1 1 29 29 SER H H 29 8.880 8.880 7.530 1.350 25449
1197 1 3 . 1 1 30 30 SER N N 30 116.200 116.200 117.724 -1.524 25449
1198 1 3 . 1 1 30 30 SER HA H 30 3.940 3.940 4.207 -0.267 25449
1199 1 3 . 1 1 30 30 SER C C 30 174.900 174.900 175.426 -0.526 25449
1200 1 3 . 1 1 30 30 SER CA C 30 60.400 60.400 60.798 -0.398 25449
1201 1 3 . 1 1 30 30 SER CB C 30 62.400 62.400 63.017 -0.618 25449
1202 1 3 . 1 1 30 30 SER H H 30 7.270 7.270 7.878 -0.608 25449
1203 1 3 . 1 1 31 31 PHE N N 31 115.600 115.600 121.384 -5.784 25449
1204 1 3 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.558 -0.278 25449
1205 1 3 . 1 1 31 31 PHE C C 31 174.100 174.100 176.185 -2.085 25449
1206 1 3 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.211 -0.311 25449
1207 1 3 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.425 -1.125 25449
1208 1 3 . 1 1 31 31 PHE H H 31 6.980 6.980 7.770 -0.790 25449
1209 1 3 . 1 1 32 32 GLY N N 32 104.900 104.900 107.719 -2.819 25449
1210 1 3 . 1 1 32 32 GLY C C 32 171.600 171.600 172.790 -1.190 25449
1211 1 3 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.387 -0.087 25449
1212 1 3 . 1 1 32 32 GLY H H 32 7.300 7.300 7.542 -0.242 25449
1213 1 3 . 1 1 33 33 ASP N N 33 116.100 116.100 126.835 -10.735 25449
1214 1 3 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.436 0.074 25449
1215 1 3 . 1 1 33 33 ASP C C 33 176.800 176.800 174.815 1.985 25449
1216 1 3 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.776 -0.376 25449
1217 1 3 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.147 -1.547 25449
1218 1 3 . 1 1 33 33 ASP H H 33 8.120 8.120 8.494 -0.374 25449
1219 1 3 . 1 1 34 34 ILE N N 34 126.400 126.400 119.486 6.914 25449
1220 1 3 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.081 -0.231 25449
1221 1 3 . 1 1 34 34 ILE C C 34 176.200 176.200 176.022 0.178 25449
1222 1 3 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.431 1.769 25449
1223 1 3 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.008 0.892 25449
1224 1 3 . 1 1 34 34 ILE H H 34 8.670 8.670 7.907 0.763 25449
1225 1 3 . 1 1 35 35 ARG N N 35 128.900 128.900 128.387 0.513 25449
1226 1 3 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.134 0.026 25449
1227 1 3 . 1 1 35 35 ARG C C 35 175.600 175.600 176.277 -0.677 25449
1228 1 3 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.225 -0.725 25449
1229 1 3 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.946 0.754 25449
1230 1 3 . 1 1 35 35 ARG H H 35 9.320 9.320 8.656 0.664 25449
1231 1 3 . 1 1 36 36 ASN N N 36 114.300 114.300 114.271 0.029 25449
1232 1 3 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.832 -0.122 25449
1233 1 3 . 1 1 36 36 ASN C C 36 172.000 172.000 172.798 -0.798 25449
1234 1 3 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.088 0.412 25449
1235 1 3 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.809 1.792 25449
1236 1 3 . 1 1 36 36 ASN H H 36 7.620 7.620 8.123 -0.503 25449
1237 1 3 . 1 1 37 37 ILE N N 37 122.700 122.700 122.229 0.471 25449
1238 1 3 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.384 0.386 25449
1239 1 3 . 1 1 37 37 ILE C C 37 173.300 173.300 174.431 -1.131 25449
1240 1 3 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.335 -0.735 25449
1241 1 3 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.220 -0.020 25449
1242 1 3 . 1 1 37 37 ILE H H 37 8.030 8.030 8.517 -0.487 25449
1243 1 3 . 1 1 38 38 GLU N N 38 126.700 126.700 129.629 -2.929 25449
1244 1 3 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.707 -0.047 25449
1245 1 3 . 1 1 38 38 GLU C C 38 174.800 174.800 173.898 0.902 25449
1246 1 3 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.597 -1.197 25449
1247 1 3 . 1 1 38 38 GLU CB C 38 33.400 33.400 32.116 1.284 25449
1248 1 3 . 1 1 38 38 GLU H H 38 8.870 8.870 8.557 0.313 25449
1249 1 3 . 1 1 39 39 VAL N N 39 126.400 126.400 125.844 0.556 25449
1250 1 3 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.161 0.539 25449
1251 1 3 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.387 -0.787 25449
1252 1 3 . 1 1 39 39 VAL H H 39 8.970 8.970 8.434 0.536 25449
1253 1 3 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.419 -0.189 25449
1254 1 3 . 1 1 40 40 PRO C C 40 176.300 176.300 174.883 1.417 25449
1255 1 3 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.623 0.677 25449
1256 1 3 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.358 0.142 25449
1257 1 3 . 1 1 41 41 LEU N N 41 120.700 120.700 122.136 -1.436 25449
1258 1 3 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.569 -0.049 25449
1259 1 3 . 1 1 41 41 LEU C C 41 177.900 177.900 175.657 2.243 25449
1260 1 3 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.944 0.156 25449
1261 1 3 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.850 -1.550 25449
1262 1 3 . 1 1 41 41 LEU H H 41 8.520 8.520 8.136 0.384 25449
1263 1 3 . 1 1 42 42 ASN N N 42 121.400 121.400 121.780 -0.380 25449
1264 1 3 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.864 -0.304 25449
1265 1 3 . 1 1 42 42 ASN C C 42 176.700 176.700 176.223 0.477 25449
1266 1 3 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.434 0.466 25449
1267 1 3 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.153 -1.153 25449
1268 1 3 . 1 1 42 42 ASN H H 42 8.740 8.740 8.197 0.543 25449
1269 1 3 . 1 1 43 43 MET N N 43 125.500 125.500 124.074 1.426 25449
1270 1 3 . 1 1 43 43 MET HA H 43 4.210 4.210 4.383 -0.173 25449
1271 1 3 . 1 1 43 43 MET C C 43 177.200 177.200 176.999 0.201 25449
1272 1 3 . 1 1 43 43 MET CA C 43 57.100 57.100 57.494 -0.394 25449
1273 1 3 . 1 1 43 43 MET CB C 43 31.600 31.600 32.350 -0.750 25449
1274 1 3 . 1 1 43 43 MET H H 43 9.080 9.080 8.896 0.184 25449
1275 1 3 . 1 1 44 44 THR N N 44 114.400 114.400 114.433 -0.033 25449
1276 1 3 . 1 1 44 44 THR HA H 44 4.160 4.160 4.349 -0.189 25449
1277 1 3 . 1 1 44 44 THR C C 44 175.900 175.900 175.944 -0.044 25449
1278 1 3 . 1 1 44 44 THR CA C 44 65.200 65.200 65.099 0.101 25449
1279 1 3 . 1 1 44 44 THR CB C 44 68.700 68.700 69.291 -0.591 25449
1280 1 3 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449
1281 1 3 . 1 1 45 45 THR N N 45 110.300 110.300 113.623 -3.323 25449
1282 1 3 . 1 1 45 45 THR HA H 45 4.160 4.160 4.397 -0.237 25449
1283 1 3 . 1 1 45 45 THR C C 45 175.500 175.500 173.809 1.691 25449
1284 1 3 . 1 1 45 45 THR CA C 45 62.000 62.000 61.416 0.584 25449
1285 1 3 . 1 1 45 45 THR CB C 45 70.000 70.000 69.579 0.421 25449
1286 1 3 . 1 1 45 45 THR H H 45 7.610 7.610 7.495 0.115 25449
1287 1 3 . 1 1 46 46 LYS N N 46 115.700 115.700 121.078 -5.378 25449
1288 1 3 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.950 -0.230 25449
1289 1 3 . 1 1 46 46 LYS C C 46 174.600 174.600 174.005 0.595 25449
1290 1 3 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.252 0.347 25449
1291 1 3 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.216 -1.316 25449
1292 1 3 . 1 1 46 46 LYS H H 46 8.460 8.460 8.084 0.376 25449
1293 1 3 . 1 1 47 47 LYS N N 47 117.100 117.100 118.233 -1.133 25449
1294 1 3 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.530 0.150 25449
1295 1 3 . 1 1 47 47 LYS C C 47 176.300 176.300 176.767 -0.467 25449
1296 1 3 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.926 0.074 25449
1297 1 3 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.144 0.956 25449
1298 1 3 . 1 1 47 47 LYS H H 47 7.610 7.610 7.582 0.028 25449
1299 1 3 . 1 1 48 48 ASN N N 48 117.700 117.700 119.523 -1.823 25449
1300 1 3 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.697 0.003 25449
1301 1 3 . 1 1 48 48 ASN C C 48 174.000 174.000 175.582 -1.582 25449
1302 1 3 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.992 0.608 25449
1303 1 3 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.984 -1.284 25449
1304 1 3 . 1 1 48 48 ASN H H 48 8.740 8.740 8.675 0.065 25449
1305 1 3 . 1 1 49 49 ARG N N 49 116.800 116.800 116.354 0.446 25449
1306 1 3 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.974 0.376 25449
1307 1 3 . 1 1 49 49 ARG C C 49 177.500 177.500 176.430 1.070 25449
1308 1 3 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.485 -0.885 25449
1309 1 3 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.063 4.537 25449
1310 1 3 . 1 1 49 49 ARG H H 49 8.530 8.530 8.432 0.098 25449
1311 1 3 . 1 1 50 50 GLY N N 50 108.300 108.300 106.516 1.784 25449
1312 1 3 . 1 1 50 50 GLY C C 50 173.500 173.500 173.456 0.044 25449
1313 1 3 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.276 0.524 25449
1314 1 3 . 1 1 50 50 GLY H H 50 8.900 8.900 8.773 0.127 25449
1315 1 3 . 1 1 51 51 PHE N N 51 113.900 113.900 116.797 -2.897 25449
1316 1 3 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.786 0.684 25449
1317 1 3 . 1 1 51 51 PHE C C 51 172.000 172.000 172.127 -0.127 25449
1318 1 3 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.005 -1.005 25449
1319 1 3 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.380 2.320 25449
1320 1 3 . 1 1 51 51 PHE H H 51 6.910 6.910 7.300 -0.390 25449
1321 1 3 . 1 1 52 52 ALA N N 52 120.500 120.500 124.708 -4.208 25449
1322 1 3 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.103 0.527 25449
1323 1 3 . 1 1 52 52 ALA C C 52 173.900 173.900 174.687 -0.787 25449
1324 1 3 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.680 -0.480 25449
1325 1 3 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.868 3.232 25449
1326 1 3 . 1 1 52 52 ALA H H 52 8.810 8.810 7.620 1.190 25449
1327 1 3 . 1 1 53 53 PHE N N 53 115.000 115.000 119.455 -4.455 25449
1328 1 3 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.797 0.863 25449
1329 1 3 . 1 1 53 53 PHE C C 53 175.600 175.600 174.674 0.926 25449
1330 1 3 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.017 0.183 25449
1331 1 3 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.732 0.668 25449
1332 1 3 . 1 1 53 53 PHE H H 53 8.730 8.730 7.950 0.780 25449
1333 1 3 . 1 1 54 54 VAL N N 54 122.300 122.300 121.385 0.915 25449
1334 1 3 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.257 -0.157 25449
1335 1 3 . 1 1 54 54 VAL C C 54 173.000 173.000 174.179 -1.179 25449
1336 1 3 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.599 0.101 25449
1337 1 3 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.439 -0.039 25449
1338 1 3 . 1 1 54 54 VAL H H 54 9.060 9.060 8.373 0.687 25449
1339 1 3 . 1 1 55 55 GLU N N 55 127.300 127.300 126.232 1.068 25449
1340 1 3 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.796 0.364 25449
1341 1 3 . 1 1 55 55 GLU C C 55 175.900 175.900 175.609 0.291 25449
1342 1 3 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.486 -0.485 25449
1343 1 3 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.032 -0.333 25449
1344 1 3 . 1 1 55 55 GLU H H 55 8.860 8.860 8.201 0.659 25449
1345 1 3 . 1 1 56 56 TYR N N 56 127.500 127.500 123.229 4.271 25449
1346 1 3 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.527 -0.007 25449
1347 1 3 . 1 1 56 56 TYR C C 56 175.000 175.000 176.228 -1.228 25449
1348 1 3 . 1 1 56 56 TYR CA C 56 59.700 59.700 57.539 2.161 25449
1349 1 3 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.256 -0.056 25449
1350 1 3 . 1 1 56 56 TYR H H 56 9.470 9.470 8.338 1.132 25449
1351 1 3 . 1 1 57 57 VAL N N 57 119.200 119.200 118.608 0.592 25449
1352 1 3 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.988 -0.418 25449
1353 1 3 . 1 1 57 57 VAL C C 57 177.000 177.000 175.003 1.997 25449
1354 1 3 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.928 2.372 25449
1355 1 3 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.451 -0.451 25449
1356 1 3 . 1 1 57 57 VAL H H 57 7.800 7.800 8.310 -0.510 25449
1357 1 3 . 1 1 58 58 GLU N N 58 118.500 118.500 117.840 0.660 25449
1358 1 3 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.577 0.203 25449
1359 1 3 . 1 1 58 58 GLU C C 58 177.500 177.500 176.304 1.196 25449
1360 1 3 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.157 -1.357 25449
1361 1 3 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.427 -0.927 25449
1362 1 3 . 1 1 58 58 GLU H H 58 9.530 9.530 7.853 1.677 25449
1363 1 3 . 1 1 59 59 VAL N N 59 125.200 125.200 125.358 -0.158 25449
1364 1 3 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.799 -0.269 25449
1365 1 3 . 1 1 59 59 VAL C C 59 177.600 177.600 176.839 0.761 25449
1366 1 3 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.748 1.353 25449
1367 1 3 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.113 -0.413 25449
1368 1 3 . 1 1 59 59 VAL H H 59 8.650 8.650 8.773 -0.123 25449
1369 1 3 . 1 1 60 60 ASP N N 60 118.500 118.500 119.453 -0.953 25449
1370 1 3 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.385 -0.165 25449
1371 1 3 . 1 1 60 60 ASP C C 60 178.300 178.300 178.099 0.201 25449
1372 1 3 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.336 0.264 25449
1373 1 3 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.658 -0.158 25449
1374 1 3 . 1 1 60 60 ASP H H 60 8.970 8.970 8.457 0.513 25449
1375 1 3 . 1 1 61 61 ASP N N 61 119.900 119.900 119.106 0.794 25449
1376 1 3 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.406 -0.046 25449
1377 1 3 . 1 1 61 61 ASP C C 61 176.800 176.800 177.957 -1.157 25449
1378 1 3 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.898 0.003 25449
1379 1 3 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.843 -1.043 25449
1380 1 3 . 1 1 61 61 ASP H H 61 6.920 6.920 8.496 -1.576 25449
1381 1 3 . 1 1 62 62 ALA N N 62 122.700 122.700 121.680 1.020 25449
1382 1 3 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.570 -0.190 25449
1383 1 3 . 1 1 62 62 ALA C C 62 171.600 171.600 179.664 -8.064 25449
1384 1 3 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.145 -0.045 25449
1385 1 3 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.283 -0.083 25449
1386 1 3 . 1 1 62 62 ALA H H 62 6.910 6.910 7.664 -0.754 25449
1387 1 3 . 1 1 63 63 LYS N N 63 116.200 116.200 118.343 -2.143 25449
1388 1 3 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.985 0.205 25449
1389 1 3 . 1 1 63 63 LYS C C 63 179.200 179.200 178.969 0.231 25449
1390 1 3 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.477 -0.177 25449
1391 1 3 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.084 0.516 25449
1392 1 3 . 1 1 63 63 LYS H H 63 8.020 8.020 7.707 0.313 25449
1393 1 3 . 1 1 64 64 HIS N N 64 117.400 117.400 117.905 -0.505 25449
1394 1 3 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.396 -0.086 25449
1395 1 3 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.864 -0.864 25449
1396 1 3 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.990 -0.890 25449
1397 1 3 . 1 1 64 64 HIS H H 64 7.460 7.460 7.574 -0.114 25449
1398 1 3 . 1 1 65 65 ALA N N 65 123.700 123.700 121.437 2.263 25449
1399 1 3 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.016 -1.846 25449
1400 1 3 . 1 1 65 65 ALA C C 65 178.700 178.700 179.764 -1.064 25449
1401 1 3 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.733 0.067 25449
1402 1 3 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.440 0.960 25449
1403 1 3 . 1 1 65 65 ALA H H 65 8.190 8.190 7.923 0.267 25449
1404 1 3 . 1 1 66 66 LEU N N 66 119.800 119.800 119.610 0.190 25449
1405 1 3 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.044 -0.614 25449
1406 1 3 . 1 1 66 66 LEU C C 66 178.700 178.700 178.853 -0.153 25449
1407 1 3 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.602 2.098 25449
1408 1 3 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.673 -0.573 25449
1409 1 3 . 1 1 66 66 LEU H H 66 8.340 8.340 7.425 0.915 25449
1410 1 3 . 1 1 67 67 TYR N N 67 116.200 116.200 114.908 1.292 25449
1411 1 3 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.329 -0.319 25449
1412 1 3 . 1 1 67 67 TYR C C 67 177.700 177.700 177.275 0.425 25449
1413 1 3 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.025 -0.525 25449
1414 1 3 . 1 1 67 67 TYR CB C 67 38.100 38.100 37.703 0.397 25449
1415 1 3 . 1 1 67 67 TYR H H 67 7.760 7.760 7.637 0.123 25449
1416 1 3 . 1 1 68 68 ASN N N 68 113.900 113.900 115.077 -1.177 25449
1417 1 3 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.736 -0.306 25449
1418 1 3 . 1 1 68 68 ASN C C 68 176.400 176.400 175.583 0.817 25449
1419 1 3 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.966 1.634 25449
1420 1 3 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.947 2.453 25449
1421 1 3 . 1 1 68 68 ASN H H 68 7.480 7.480 7.645 -0.165 25449
1422 1 3 . 1 1 69 69 MET N N 69 114.900 114.900 115.956 -1.056 25449
1423 1 3 . 1 1 69 69 MET HA H 69 4.760 4.760 4.671 0.089 25449
1424 1 3 . 1 1 69 69 MET C C 69 177.000 177.000 176.268 0.732 25449
1425 1 3 . 1 1 69 69 MET CA C 69 53.500 53.500 53.957 -0.457 25449
1426 1 3 . 1 1 69 69 MET CB C 69 31.100 31.100 32.855 -1.756 25449
1427 1 3 . 1 1 69 69 MET H H 69 8.310 8.310 7.727 0.583 25449
1428 1 3 . 1 1 70 70 ASN N N 70 117.700 117.700 117.531 0.169 25449
1429 1 3 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.547 -0.177 25449
1430 1 3 . 1 1 70 70 ASN C C 70 176.400 176.400 176.259 0.141 25449
1431 1 3 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.244 0.856 25449
1432 1 3 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.212 0.488 25449
1433 1 3 . 1 1 70 70 ASN H H 70 7.660 7.660 7.895 -0.235 25449
1434 1 3 . 1 1 71 71 ASN N N 71 121.500 121.500 116.603 4.897 25449
1435 1 3 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.646 -0.136 25449
1436 1 3 . 1 1 71 71 ASN C C 71 173.300 173.300 175.435 -2.135 25449
1437 1 3 . 1 1 71 71 ASN CA C 71 55.800 55.800 54.007 1.793 25449
1438 1 3 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.433 -0.233 25449
1439 1 3 . 1 1 71 71 ASN H H 71 8.600 8.600 8.440 0.160 25449
1440 1 3 . 1 1 72 72 PHE N N 72 122.300 122.300 122.822 -0.522 25449
1441 1 3 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.440 -0.250 25449
1442 1 3 . 1 1 72 72 PHE C C 72 174.100 174.100 174.330 -0.230 25449
1443 1 3 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.635 1.065 25449
1444 1 3 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.100 1.200 25449
1445 1 3 . 1 1 72 72 PHE H H 72 7.870 7.870 7.843 0.027 25449
1446 1 3 . 1 1 73 73 GLU N N 73 126.100 126.100 128.373 -2.273 25449
1447 1 3 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.456 -0.226 25449
1448 1 3 . 1 1 73 73 GLU C C 73 173.000 173.000 174.440 -1.440 25449
1449 1 3 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.768 0.832 25449
1450 1 3 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.253 -0.953 25449
1451 1 3 . 1 1 73 73 GLU H H 73 7.690 7.690 8.219 -0.529 25449
1452 1 3 . 1 1 74 74 LEU N N 74 128.900 128.900 127.226 1.674 25449
1453 1 3 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.224 0.296 25449
1454 1 3 . 1 1 74 74 LEU C C 74 175.500 175.500 175.653 -0.153 25449
1455 1 3 . 1 1 74 74 LEU CA C 74 53.300 53.300 53.987 -0.687 25449
1456 1 3 . 1 1 74 74 LEU CB C 74 44.600 44.600 41.566 3.034 25449
1457 1 3 . 1 1 74 74 LEU H H 74 8.620 8.620 8.401 0.219 25449
1458 1 3 . 1 1 75 75 ASN N N 75 126.800 126.800 123.967 2.833 25449
1459 1 3 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.480 -0.270 25449
1460 1 3 . 1 1 75 75 ASN C C 75 175.600 175.600 175.719 -0.119 25449
1461 1 3 . 1 1 75 75 ASN CA C 75 53.900 53.900 54.044 -0.144 25449
1462 1 3 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.307 -0.407 25449
1463 1 3 . 1 1 75 75 ASN H H 75 9.520 9.520 8.938 0.582 25449
1464 1 3 . 1 1 76 76 GLY N N 76 102.300 102.300 102.427 -0.127 25449
1465 1 3 . 1 1 76 76 GLY C C 76 173.600 173.600 173.463 0.137 25449
1466 1 3 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.353 -0.053 25449
1467 1 3 . 1 1 76 76 GLY H H 76 8.500 8.500 8.476 0.024 25449
1468 1 3 . 1 1 77 77 LYS N N 77 120.800 120.800 118.321 2.479 25449
1469 1 3 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.519 0.051 25449
1470 1 3 . 1 1 77 77 LYS C C 77 175.100 175.100 174.251 0.849 25449
1471 1 3 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.619 -0.419 25449
1472 1 3 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.845 -0.345 25449
1473 1 3 . 1 1 77 77 LYS H H 77 7.580 7.580 7.534 0.046 25449
1474 1 3 . 1 1 78 78 ARG N N 78 123.300 123.300 123.653 -0.353 25449
1475 1 3 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.479 0.001 25449
1476 1 3 . 1 1 78 78 ARG C C 78 176.600 176.600 175.878 0.722 25449
1477 1 3 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.519 -0.219 25449
1478 1 3 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.000 -0.700 25449
1479 1 3 . 1 1 78 78 ARG H H 78 8.580 8.580 8.475 0.105 25449
1480 1 3 . 1 1 79 79 ILE N N 79 120.100 120.100 121.806 -1.706 25449
1481 1 3 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.452 0.248 25449
1482 1 3 . 1 1 79 79 ILE C C 79 175.200 175.200 175.125 0.075 25449
1483 1 3 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.051 -0.051 25449
1484 1 3 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.312 0.088 25449
1485 1 3 . 1 1 79 79 ILE H H 79 8.450 8.450 8.563 -0.113 25449
1486 1 3 . 1 1 80 80 HIS N N 80 119.900 119.900 125.331 -5.431 25449
1487 1 3 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.743 0.447 25449
1488 1 3 . 1 1 80 80 HIS C C 80 173.600 173.600 173.871 -0.271 25449
1489 1 3 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.289 -1.489 25449
1490 1 3 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.402 -0.102 25449
1491 1 3 . 1 1 80 80 HIS H H 80 8.580 8.580 8.114 0.466 25449
1492 1 3 . 1 1 81 81 VAL N N 81 123.800 123.800 126.371 -2.571 25449
1493 1 3 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.038 0.242 25449
1494 1 3 . 1 1 81 81 VAL C C 81 173.600 173.600 174.883 -1.283 25449
1495 1 3 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.918 -0.718 25449
1496 1 3 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.690 1.310 25449
1497 1 3 . 1 1 81 81 VAL H H 81 8.650 8.650 8.377 0.273 25449
1498 1 3 . 1 1 82 82 ASN N N 82 121.100 121.100 124.586 -3.486 25449
1499 1 3 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.938 -0.188 25449
1500 1 3 . 1 1 82 82 ASN C C 82 174.000 174.000 173.340 0.660 25449
1501 1 3 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.687 0.213 25449
1502 1 3 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.113 0.787 25449
1503 1 3 . 1 1 82 82 ASN H H 82 8.890 8.890 8.391 0.499 25449
1504 1 3 . 1 1 83 83 TYR N N 83 120.400 120.400 120.632 -0.232 25449
1505 1 3 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.756 0.044 25449
1506 1 3 . 1 1 83 83 TYR C C 83 177.100 177.100 174.865 2.235 25449
1507 1 3 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.949 1.451 25449
1508 1 3 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.417 -0.717 25449
1509 1 3 . 1 1 83 83 TYR H H 83 8.480 8.480 8.675 -0.195 25449
1510 1 3 . 1 1 84 84 SER N N 84 118.000 118.000 117.584 0.416 25449
1511 1 3 . 1 1 84 84 SER HA H 84 4.520 4.520 4.331 0.189 25449
1512 1 3 . 1 1 84 84 SER C C 84 174.100 174.100 171.836 2.264 25449
1513 1 3 . 1 1 84 84 SER CA C 84 57.700 57.700 56.614 1.086 25449
1514 1 3 . 1 1 84 84 SER CB C 84 64.300 64.300 65.913 -1.613 25449
1515 1 3 . 1 1 84 84 SER H H 84 9.040 9.040 7.373 1.667 25449
1516 1 3 . 1 1 85 85 LYS N N 85 125.300 125.300 119.888 5.412 25449
1517 1 3 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.313 0.127 25449
1518 1 3 . 1 1 85 85 LYS C C 85 175.600 175.600 175.431 0.169 25449
1519 1 3 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.509 0.791 25449
1520 1 3 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.411 0.289 25449
1521 1 3 . 1 1 85 85 LYS H H 85 8.410 8.410 8.197 0.213 25449
1522 1 4 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.538 -0.938 25449
1523 1 4 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.687 -0.277 25449
1524 1 4 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.315 -1.315 25449
1525 1 4 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.473 -0.273 25449
1526 1 4 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.403 0.497 25449
1527 1 4 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.745 -0.075 25449
1528 1 4 . 1 1 0 0 HIS N N 0 121.200 121.200 118.987 2.213 25449
1529 1 4 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.621 -0.031 25449
1530 1 4 . 1 1 0 0 HIS C C 0 174.800 174.800 172.834 1.966 25449
1531 1 4 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.301 -0.201 25449
1532 1 4 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.976 -0.076 25449
1533 1 4 . 1 1 0 0 HIS H H 0 8.730 8.730 8.169 0.561 25449
1534 1 4 . 1 1 1 1 MET N N 1 121.800 121.800 119.974 1.826 25449
1535 1 4 . 1 1 1 1 MET HA H 1 4.370 4.370 5.298 -0.928 25449
1536 1 4 . 1 1 1 1 MET C C 1 176.300 176.300 174.762 1.538 25449
1537 1 4 . 1 1 1 1 MET CA C 1 55.700 55.700 54.840 0.861 25449
1538 1 4 . 1 1 1 1 MET CB C 1 32.800 32.800 35.072 -2.272 25449
1539 1 4 . 1 1 1 1 MET H H 1 8.450 8.450 8.132 0.318 25449
1540 1 4 . 1 1 2 2 SER N N 2 116.700 116.700 117.857 -1.157 25449
1541 1 4 . 1 1 2 2 SER HA H 2 4.370 4.370 4.637 -0.267 25449
1542 1 4 . 1 1 2 2 SER C C 2 174.200 174.200 174.371 -0.171 25449
1543 1 4 . 1 1 2 2 SER CA C 2 58.400 58.400 59.748 -1.349 25449
1544 1 4 . 1 1 2 2 SER CB C 2 63.800 63.800 64.316 -0.516 25449
1545 1 4 . 1 1 2 2 SER H H 2 8.410 8.410 9.114 -0.704 25449
1546 1 4 . 1 1 3 3 ASP N N 3 122.100 122.100 117.504 4.596 25449
1547 1 4 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.657 -0.107 25449
1548 1 4 . 1 1 3 3 ASP C C 3 176.100 176.100 175.308 0.792 25449
1549 1 4 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.185 0.315 25449
1550 1 4 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.227 -0.027 25449
1551 1 4 . 1 1 3 3 ASP H H 3 8.340 8.340 8.458 -0.118 25449
1552 1 4 . 1 1 4 4 ASN N N 4 119.100 119.100 119.694 -0.594 25449
1553 1 4 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.643 -0.063 25449
1554 1 4 . 1 1 4 4 ASN C C 4 174.900 174.900 175.310 -0.410 25449
1555 1 4 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.670 1.030 25449
1556 1 4 . 1 1 4 4 ASN CB C 4 38.900 38.900 38.529 0.371 25449
1557 1 4 . 1 1 4 4 ASN H H 4 8.420 8.420 7.869 0.551 25449
1558 1 4 . 1 1 5 5 ASN N N 5 118.400 118.400 118.931 -0.531 25449
1559 1 4 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.594 -0.054 25449
1560 1 4 . 1 1 5 5 ASN C C 5 173.900 173.900 174.587 -0.687 25449
1561 1 4 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.413 -0.213 25449
1562 1 4 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.776 -0.076 25449
1563 1 4 . 1 1 5 5 ASN H H 5 8.340 8.340 8.514 -0.174 25449
1564 1 4 . 1 1 6 6 ALA N N 6 122.100 122.100 119.792 2.308 25449
1565 1 4 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.652 -0.912 25449
1566 1 4 . 1 1 6 6 ALA C C 6 177.000 177.000 176.208 0.792 25449
1567 1 4 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.134 0.166 25449
1568 1 4 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.965 1.035 25449
1569 1 4 . 1 1 6 6 ALA H H 6 7.590 7.590 7.394 0.196 25449
1570 1 4 . 1 1 7 7 THR N N 7 112.700 112.700 117.334 -4.634 25449
1571 1 4 . 1 1 7 7 THR HA H 7 4.390 4.390 4.335 0.055 25449
1572 1 4 . 1 1 7 7 THR C C 7 171.700 171.700 175.048 -3.348 25449
1573 1 4 . 1 1 7 7 THR CA C 7 59.800 59.800 61.650 -1.849 25449
1574 1 4 . 1 1 7 7 THR CB C 7 70.600 70.600 70.082 0.518 25449
1575 1 4 . 1 1 7 7 THR H H 7 6.840 6.840 7.929 -1.089 25449
1576 1 4 . 1 1 8 8 ASP N N 8 114.600 114.600 122.609 -8.009 25449
1577 1 4 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.300 0.190 25449
1578 1 4 . 1 1 8 8 ASP C C 8 174.300 174.300 174.407 -0.107 25449
1579 1 4 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.767 -2.267 25449
1580 1 4 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.092 -0.292 25449
1581 1 4 . 1 1 8 8 ASP H H 8 8.170 8.170 8.757 -0.587 25449
1582 1 4 . 1 1 9 9 ILE N N 9 117.800 117.800 118.478 -0.678 25449
1583 1 4 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.025 -0.215 25449
1584 1 4 . 1 1 9 9 ILE C C 9 174.700 174.700 174.321 0.379 25449
1585 1 4 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.280 0.320 25449
1586 1 4 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.528 -0.228 25449
1587 1 4 . 1 1 9 9 ILE H H 9 7.890 7.890 7.505 0.385 25449
1588 1 4 . 1 1 10 10 LEU N N 10 125.300 125.300 127.824 -2.524 25449
1589 1 4 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.857 0.103 25449
1590 1 4 . 1 1 10 10 LEU C C 10 176.100 176.100 175.368 0.732 25449
1591 1 4 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.128 -1.228 25449
1592 1 4 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.740 -1.641 25449
1593 1 4 . 1 1 10 10 LEU H H 10 9.370 9.370 8.314 1.056 25449
1594 1 4 . 1 1 11 11 PHE N N 11 124.300 124.300 127.410 -3.110 25449
1595 1 4 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.963 -0.293 25449
1596 1 4 . 1 1 11 11 PHE C C 11 173.400 173.400 173.864 -0.464 25449
1597 1 4 . 1 1 11 11 PHE CA C 11 57.000 57.000 55.962 1.038 25449
1598 1 4 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.400 1.300 25449
1599 1 4 . 1 1 11 11 PHE H H 11 9.310 9.310 8.498 0.812 25449
1600 1 4 . 1 1 12 12 VAL N N 12 128.300 128.300 126.324 1.976 25449
1601 1 4 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.498 -0.078 25449
1602 1 4 . 1 1 12 12 VAL C C 12 173.900 173.900 175.385 -1.485 25449
1603 1 4 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.968 0.232 25449
1604 1 4 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.274 1.826 25449
1605 1 4 . 1 1 12 12 VAL H H 12 8.380 8.380 7.765 0.615 25449
1606 1 4 . 1 1 13 13 GLY N N 13 111.800 111.800 111.589 0.211 25449
1607 1 4 . 1 1 13 13 GLY C C 13 173.800 173.800 173.608 0.192 25449
1608 1 4 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.482 -0.082 25449
1609 1 4 . 1 1 13 13 GLY H H 13 9.150 9.150 7.483 1.667 25449
1610 1 4 . 1 1 14 14 GLY N N 14 107.600 107.600 107.972 -0.372 25449
1611 1 4 . 1 1 14 14 GLY C C 14 175.400 175.400 173.944 1.456 25449
1612 1 4 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.975 0.825 25449
1613 1 4 . 1 1 14 14 GLY H H 14 8.260 8.260 8.127 0.133 25449
1614 1 4 . 1 1 15 15 ILE N N 15 111.100 111.100 116.014 -4.914 25449
1615 1 4 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.299 -0.259 25449
1616 1 4 . 1 1 15 15 ILE C C 15 175.500 175.500 175.441 0.059 25449
1617 1 4 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.844 1.656 25449
1618 1 4 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.455 -0.955 25449
1619 1 4 . 1 1 15 15 ILE H H 15 6.930 6.930 7.134 -0.204 25449
1620 1 4 . 1 1 16 16 ASP N N 16 122.800 122.800 120.816 1.984 25449
1621 1 4 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.581 -0.001 25449
1622 1 4 . 1 1 16 16 ASP C C 16 177.200 177.200 176.636 0.564 25449
1623 1 4 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.812 -0.112 25449
1624 1 4 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.667 -0.167 25449
1625 1 4 . 1 1 16 16 ASP H H 16 8.320 8.320 8.522 -0.202 25449
1626 1 4 . 1 1 17 17 GLU N N 17 119.600 119.600 122.121 -2.521 25449
1627 1 4 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.165 -0.025 25449
1628 1 4 . 1 1 17 17 GLU C C 17 176.800 176.800 176.305 0.495 25449
1629 1 4 . 1 1 17 17 GLU CA C 17 58.600 58.600 58.207 0.393 25449
1630 1 4 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.093 0.707 25449
1631 1 4 . 1 1 17 17 GLU H H 17 8.830 8.830 8.797 0.033 25449
1632 1 4 . 1 1 18 18 THR N N 18 111.300 111.300 115.257 -3.957 25449
1633 1 4 . 1 1 18 18 THR HA H 18 4.250 4.250 4.388 -0.138 25449
1634 1 4 . 1 1 18 18 THR C C 18 175.200 175.200 173.987 1.213 25449
1635 1 4 . 1 1 18 18 THR CA C 18 62.600 62.600 61.016 1.585 25449
1636 1 4 . 1 1 18 18 THR CB C 18 69.600 69.600 69.257 0.343 25449
1637 1 4 . 1 1 18 18 THR H H 18 8.740 8.740 7.815 0.925 25449
1638 1 4 . 1 1 19 19 ILE N N 19 123.300 123.300 120.286 3.014 25449
1639 1 4 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.342 -0.462 25449
1640 1 4 . 1 1 19 19 ILE C C 19 174.300 174.300 174.335 -0.035 25449
1641 1 4 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.971 0.929 25449
1642 1 4 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.285 -2.685 25449
1643 1 4 . 1 1 19 19 ILE H H 19 7.220 7.220 7.500 -0.280 25449
1644 1 4 . 1 1 20 20 ASP N N 20 125.600 125.600 125.594 0.006 25449
1645 1 4 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.838 -0.198 25449
1646 1 4 . 1 1 20 20 ASP C C 20 175.300 175.300 177.219 -1.919 25449
1647 1 4 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.391 -0.891 25449
1648 1 4 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.284 -1.284 25449
1649 1 4 . 1 1 20 20 ASP H H 20 7.790 7.790 8.453 -0.663 25449
1650 1 4 . 1 1 21 21 GLU N N 21 118.400 118.400 120.993 -2.593 25449
1651 1 4 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449
1652 1 4 . 1 1 21 21 GLU C C 21 177.900 177.900 178.226 -0.326 25449
1653 1 4 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.103 0.797 25449
1654 1 4 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.680 -0.480 25449
1655 1 4 . 1 1 21 21 GLU H H 21 9.220 9.220 8.876 0.344 25449
1656 1 4 . 1 1 22 22 LYS N N 22 119.700 119.700 117.988 1.712 25449
1657 1 4 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.101 -0.041 25449
1658 1 4 . 1 1 22 22 LYS C C 22 178.500 178.500 178.604 -0.104 25449
1659 1 4 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.170 0.130 25449
1660 1 4 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.481 0.319 25449
1661 1 4 . 1 1 22 22 LYS H H 22 8.040 8.040 8.560 -0.520 25449
1662 1 4 . 1 1 23 23 SER N N 23 114.900 114.900 117.519 -2.619 25449
1663 1 4 . 1 1 23 23 SER HA H 23 4.300 4.300 4.298 0.002 25449
1664 1 4 . 1 1 23 23 SER C C 23 177.600 177.600 176.673 0.927 25449
1665 1 4 . 1 1 23 23 SER CA C 23 61.800 61.800 61.658 0.142 25449
1666 1 4 . 1 1 23 23 SER CB C 23 62.900 62.900 62.373 0.527 25449
1667 1 4 . 1 1 23 23 SER H H 23 8.240 8.240 7.763 0.477 25449
1668 1 4 . 1 1 24 24 LEU N N 24 118.800 118.800 121.535 -2.735 25449
1669 1 4 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.259 -0.079 25449
1670 1 4 . 1 1 24 24 LEU C C 24 178.700 178.700 178.980 -0.280 25449
1671 1 4 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.794 0.506 25449
1672 1 4 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.535 0.565 25449
1673 1 4 . 1 1 24 24 LEU H H 24 7.750 7.750 7.375 0.375 25449
1674 1 4 . 1 1 25 25 TYR N N 25 123.200 123.200 121.574 1.626 25449
1675 1 4 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.098 -0.468 25449
1676 1 4 . 1 1 25 25 TYR C C 25 178.600 178.600 177.182 1.418 25449
1677 1 4 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.436 1.764 25449
1678 1 4 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.670 -0.470 25449
1679 1 4 . 1 1 25 25 TYR H H 25 8.970 8.970 7.549 1.421 25449
1680 1 4 . 1 1 26 26 ASP N N 26 119.800 119.800 117.645 2.155 25449
1681 1 4 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.569 -0.299 25449
1682 1 4 . 1 1 26 26 ASP C C 26 177.900 177.900 178.098 -0.198 25449
1683 1 4 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.663 0.037 25449
1684 1 4 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.086 -1.086 25449
1685 1 4 . 1 1 26 26 ASP H H 26 8.510 8.510 7.835 0.675 25449
1686 1 4 . 1 1 27 27 ILE N N 27 114.700 114.700 118.343 -3.643 25449
1687 1 4 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.925 0.035 25449
1688 1 4 . 1 1 27 27 ILE C C 27 177.700 177.700 177.591 0.109 25449
1689 1 4 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.627 -1.327 25449
1690 1 4 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.456 0.544 25449
1691 1 4 . 1 1 27 27 ILE H H 27 7.320 7.320 7.752 -0.432 25449
1692 1 4 . 1 1 28 28 PHE N N 28 116.900 116.900 117.176 -0.276 25449
1693 1 4 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.555 -0.185 25449
1694 1 4 . 1 1 28 28 PHE C C 28 179.900 179.900 177.065 2.835 25449
1695 1 4 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.965 3.336 25449
1696 1 4 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.645 -1.345 25449
1697 1 4 . 1 1 28 28 PHE H H 28 8.650 8.650 8.037 0.613 25449
1698 1 4 . 1 1 29 29 SER N N 29 120.100 120.100 112.486 7.614 25449
1699 1 4 . 1 1 29 29 SER HA H 29 4.410 4.410 4.704 -0.294 25449
1700 1 4 . 1 1 29 29 SER C C 29 175.600 175.600 175.361 0.239 25449
1701 1 4 . 1 1 29 29 SER CA C 29 61.300 61.300 59.043 2.257 25449
1702 1 4 . 1 1 29 29 SER CB C 29 62.200 62.200 63.181 -0.981 25449
1703 1 4 . 1 1 29 29 SER H H 29 8.880 8.880 7.740 1.140 25449
1704 1 4 . 1 1 30 30 SER N N 30 116.200 116.200 117.030 -0.830 25449
1705 1 4 . 1 1 30 30 SER HA H 30 3.940 3.940 4.313 -0.373 25449
1706 1 4 . 1 1 30 30 SER C C 30 174.900 174.900 175.387 -0.487 25449
1707 1 4 . 1 1 30 30 SER CA C 30 60.400 60.400 60.787 -0.387 25449
1708 1 4 . 1 1 30 30 SER CB C 30 62.400 62.400 63.320 -0.920 25449
1709 1 4 . 1 1 30 30 SER H H 30 7.270 7.270 8.174 -0.904 25449
1710 1 4 . 1 1 31 31 PHE N N 31 115.600 115.600 121.591 -5.991 25449
1711 1 4 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.616 -0.336 25449
1712 1 4 . 1 1 31 31 PHE C C 31 174.100 174.100 176.232 -2.132 25449
1713 1 4 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.889 0.011 25449
1714 1 4 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.306 -1.006 25449
1715 1 4 . 1 1 31 31 PHE H H 31 6.980 6.980 7.931 -0.951 25449
1716 1 4 . 1 1 32 32 GLY N N 32 104.900 104.900 107.404 -2.504 25449
1717 1 4 . 1 1 32 32 GLY C C 32 171.600 171.600 172.520 -0.920 25449
1718 1 4 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.601 -0.301 25449
1719 1 4 . 1 1 32 32 GLY H H 32 7.300 7.300 7.592 -0.292 25449
1720 1 4 . 1 1 33 33 ASP N N 33 116.100 116.100 125.955 -9.855 25449
1721 1 4 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.471 0.039 25449
1722 1 4 . 1 1 33 33 ASP C C 33 176.800 176.800 174.866 1.934 25449
1723 1 4 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.887 -0.487 25449
1724 1 4 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.038 -1.438 25449
1725 1 4 . 1 1 33 33 ASP H H 33 8.120 8.120 8.490 -0.370 25449
1726 1 4 . 1 1 34 34 ILE N N 34 126.400 126.400 119.297 7.103 25449
1727 1 4 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.032 -0.182 25449
1728 1 4 . 1 1 34 34 ILE C C 34 176.200 176.200 176.070 0.130 25449
1729 1 4 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.315 1.885 25449
1730 1 4 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.056 0.844 25449
1731 1 4 . 1 1 34 34 ILE H H 34 8.670 8.670 7.830 0.840 25449
1732 1 4 . 1 1 35 35 ARG N N 35 128.900 128.900 128.001 0.899 25449
1733 1 4 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.101 0.059 25449
1734 1 4 . 1 1 35 35 ARG C C 35 175.600 175.600 176.220 -0.620 25449
1735 1 4 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.430 -0.930 25449
1736 1 4 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.868 0.832 25449
1737 1 4 . 1 1 35 35 ARG H H 35 9.320 9.320 8.581 0.739 25449
1738 1 4 . 1 1 36 36 ASN N N 36 114.300 114.300 114.959 -0.659 25449
1739 1 4 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.814 -0.104 25449
1740 1 4 . 1 1 36 36 ASN C C 36 172.000 172.000 173.045 -1.045 25449
1741 1 4 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.554 -0.054 25449
1742 1 4 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.717 1.883 25449
1743 1 4 . 1 1 36 36 ASN H H 36 7.620 7.620 8.070 -0.450 25449
1744 1 4 . 1 1 37 37 ILE N N 37 122.700 122.700 123.292 -0.592 25449
1745 1 4 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.427 0.343 25449
1746 1 4 . 1 1 37 37 ILE C C 37 173.300 173.300 174.582 -1.282 25449
1747 1 4 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.687 -0.087 25449
1748 1 4 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.568 1.632 25449
1749 1 4 . 1 1 37 37 ILE H H 37 8.030 8.030 8.632 -0.602 25449
1750 1 4 . 1 1 38 38 GLU N N 38 126.700 126.700 128.413 -1.713 25449
1751 1 4 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.672 -0.012 25449
1752 1 4 . 1 1 38 38 GLU C C 38 174.800 174.800 174.260 0.540 25449
1753 1 4 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.308 -0.908 25449
1754 1 4 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.205 2.195 25449
1755 1 4 . 1 1 38 38 GLU H H 38 8.870 8.870 8.522 0.348 25449
1756 1 4 . 1 1 39 39 VAL N N 39 126.400 126.400 127.073 -0.673 25449
1757 1 4 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.868 -0.168 25449
1758 1 4 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.094 -0.494 25449
1759 1 4 . 1 1 39 39 VAL H H 39 8.970 8.970 8.409 0.561 25449
1760 1 4 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.366 -0.136 25449
1761 1 4 . 1 1 40 40 PRO C C 40 176.300 176.300 175.383 0.917 25449
1762 1 4 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.025 0.275 25449
1763 1 4 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.774 0.726 25449
1764 1 4 . 1 1 41 41 LEU N N 41 120.700 120.700 125.220 -4.520 25449
1765 1 4 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.522 -0.002 25449
1766 1 4 . 1 1 41 41 LEU C C 41 177.900 177.900 176.637 1.263 25449
1767 1 4 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.709 0.391 25449
1768 1 4 . 1 1 41 41 LEU CB C 41 44.300 44.300 42.151 2.149 25449
1769 1 4 . 1 1 41 41 LEU H H 41 8.520 8.520 8.269 0.251 25449
1770 1 4 . 1 1 42 42 ASN N N 42 121.400 121.400 124.057 -2.657 25449
1771 1 4 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.636 -0.076 25449
1772 1 4 . 1 1 42 42 ASN C C 42 176.700 176.700 176.362 0.338 25449
1773 1 4 . 1 1 42 42 ASN CA C 42 52.900 52.900 53.629 -0.729 25449
1774 1 4 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.717 -0.717 25449
1775 1 4 . 1 1 42 42 ASN H H 42 8.740 8.740 8.477 0.263 25449
1776 1 4 . 1 1 43 43 MET N N 43 125.500 125.500 123.276 2.224 25449
1777 1 4 . 1 1 43 43 MET HA H 43 4.210 4.210 4.362 -0.151 25449
1778 1 4 . 1 1 43 43 MET C C 43 177.200 177.200 177.112 0.088 25449
1779 1 4 . 1 1 43 43 MET CA C 43 57.100 57.100 56.616 0.484 25449
1780 1 4 . 1 1 43 43 MET CB C 43 31.600 31.600 32.198 -0.598 25449
1781 1 4 . 1 1 43 43 MET H H 43 9.080 9.080 8.848 0.232 25449
1782 1 4 . 1 1 44 44 THR N N 44 114.400 114.400 113.374 1.026 25449
1783 1 4 . 1 1 44 44 THR HA H 44 4.160 4.160 4.277 -0.117 25449
1784 1 4 . 1 1 44 44 THR C C 44 175.900 175.900 175.733 0.167 25449
1785 1 4 . 1 1 44 44 THR CA C 44 65.200 65.200 64.897 0.303 25449
1786 1 4 . 1 1 44 44 THR CB C 44 68.700 68.700 69.406 -0.706 25449
1787 1 4 . 1 1 44 44 THR H H 44 8.590 8.590 7.817 0.773 25449
1788 1 4 . 1 1 45 45 THR N N 45 110.300 110.300 113.985 -3.685 25449
1789 1 4 . 1 1 45 45 THR HA H 45 4.160 4.160 4.390 -0.230 25449
1790 1 4 . 1 1 45 45 THR C C 45 175.500 175.500 173.561 1.939 25449
1791 1 4 . 1 1 45 45 THR CA C 45 62.000 62.000 61.365 0.635 25449
1792 1 4 . 1 1 45 45 THR CB C 45 70.000 70.000 69.753 0.247 25449
1793 1 4 . 1 1 45 45 THR H H 45 7.610 7.610 7.892 -0.282 25449
1794 1 4 . 1 1 46 46 LYS N N 46 115.700 115.700 122.447 -6.747 25449
1795 1 4 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.995 -0.275 25449
1796 1 4 . 1 1 46 46 LYS C C 46 174.600 174.600 175.219 -0.619 25449
1797 1 4 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.542 0.058 25449
1798 1 4 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.887 -1.987 25449
1799 1 4 . 1 1 46 46 LYS H H 46 8.460 8.460 7.813 0.647 25449
1800 1 4 . 1 1 47 47 LYS N N 47 117.100 117.100 121.594 -4.494 25449
1801 1 4 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.629 0.051 25449
1802 1 4 . 1 1 47 47 LYS C C 47 176.300 176.300 175.808 0.492 25449
1803 1 4 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.243 -0.243 25449
1804 1 4 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.459 0.641 25449
1805 1 4 . 1 1 47 47 LYS H H 47 7.610 7.610 7.862 -0.252 25449
1806 1 4 . 1 1 48 48 ASN N N 48 117.700 117.700 119.852 -2.152 25449
1807 1 4 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.672 0.028 25449
1808 1 4 . 1 1 48 48 ASN C C 48 174.000 174.000 175.689 -1.689 25449
1809 1 4 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.349 1.251 25449
1810 1 4 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.408 -1.708 25449
1811 1 4 . 1 1 48 48 ASN H H 48 8.740 8.740 8.824 -0.084 25449
1812 1 4 . 1 1 49 49 ARG N N 49 116.800 116.800 117.168 -0.368 25449
1813 1 4 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.014 0.336 25449
1814 1 4 . 1 1 49 49 ARG C C 49 177.500 177.500 176.488 1.012 25449
1815 1 4 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.401 -0.801 25449
1816 1 4 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.095 4.505 25449
1817 1 4 . 1 1 49 49 ARG H H 49 8.530 8.530 8.481 0.049 25449
1818 1 4 . 1 1 50 50 GLY N N 50 108.300 108.300 106.466 1.834 25449
1819 1 4 . 1 1 50 50 GLY C C 50 173.500 173.500 173.471 0.029 25449
1820 1 4 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.457 0.343 25449
1821 1 4 . 1 1 50 50 GLY H H 50 8.900 8.900 8.716 0.184 25449
1822 1 4 . 1 1 51 51 PHE N N 51 113.900 113.900 116.720 -2.820 25449
1823 1 4 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.812 0.658 25449
1824 1 4 . 1 1 51 51 PHE C C 51 172.000 172.000 172.202 -0.202 25449
1825 1 4 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.022 -1.022 25449
1826 1 4 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.610 2.090 25449
1827 1 4 . 1 1 51 51 PHE H H 51 6.910 6.910 7.385 -0.475 25449
1828 1 4 . 1 1 52 52 ALA N N 52 120.500 120.500 125.449 -4.949 25449
1829 1 4 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.060 0.570 25449
1830 1 4 . 1 1 52 52 ALA C C 52 173.900 173.900 174.636 -0.736 25449
1831 1 4 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.972 -0.772 25449
1832 1 4 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.835 3.265 25449
1833 1 4 . 1 1 52 52 ALA H H 52 8.810 8.810 7.734 1.076 25449
1834 1 4 . 1 1 53 53 PHE N N 53 115.000 115.000 119.425 -4.425 25449
1835 1 4 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.808 0.852 25449
1836 1 4 . 1 1 53 53 PHE C C 53 175.600 175.600 174.803 0.797 25449
1837 1 4 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.787 0.413 25449
1838 1 4 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.409 0.991 25449
1839 1 4 . 1 1 53 53 PHE H H 53 8.730 8.730 7.912 0.818 25449
1840 1 4 . 1 1 54 54 VAL N N 54 122.300 122.300 121.521 0.779 25449
1841 1 4 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.246 -0.146 25449
1842 1 4 . 1 1 54 54 VAL C C 54 173.000 173.000 174.207 -1.207 25449
1843 1 4 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.575 0.125 25449
1844 1 4 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.457 -0.057 25449
1845 1 4 . 1 1 54 54 VAL H H 54 9.060 9.060 8.381 0.679 25449
1846 1 4 . 1 1 55 55 GLU N N 55 127.300 127.300 126.674 0.626 25449
1847 1 4 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.743 0.417 25449
1848 1 4 . 1 1 55 55 GLU C C 55 175.900 175.900 175.592 0.308 25449
1849 1 4 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.785 -0.785 25449
1850 1 4 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.638 0.062 25449
1851 1 4 . 1 1 55 55 GLU H H 55 8.860 8.860 8.248 0.612 25449
1852 1 4 . 1 1 56 56 TYR N N 56 127.500 127.500 123.196 4.304 25449
1853 1 4 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.507 0.013 25449
1854 1 4 . 1 1 56 56 TYR C C 56 175.000 175.000 176.539 -1.539 25449
1855 1 4 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.044 0.657 25449
1856 1 4 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.621 -0.421 25449
1857 1 4 . 1 1 56 56 TYR H H 56 9.470 9.470 8.232 1.238 25449
1858 1 4 . 1 1 57 57 VAL N N 57 119.200 119.200 120.121 -0.921 25449
1859 1 4 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.975 -0.405 25449
1860 1 4 . 1 1 57 57 VAL C C 57 177.000 177.000 175.396 1.604 25449
1861 1 4 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.774 1.526 25449
1862 1 4 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.375 -0.375 25449
1863 1 4 . 1 1 57 57 VAL H H 57 7.800 7.800 7.981 -0.181 25449
1864 1 4 . 1 1 58 58 GLU N N 58 118.500 118.500 118.163 0.337 25449
1865 1 4 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.583 0.197 25449
1866 1 4 . 1 1 58 58 GLU C C 58 177.500 177.500 176.808 0.692 25449
1867 1 4 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.069 -1.269 25449
1868 1 4 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.672 -0.173 25449
1869 1 4 . 1 1 58 58 GLU H H 58 9.530 9.530 8.035 1.495 25449
1870 1 4 . 1 1 59 59 VAL N N 59 125.200 125.200 125.473 -0.273 25449
1871 1 4 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.806 -0.276 25449
1872 1 4 . 1 1 59 59 VAL C C 59 177.600 177.600 176.577 1.023 25449
1873 1 4 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.238 0.862 25449
1874 1 4 . 1 1 59 59 VAL CB C 59 31.700 31.700 31.770 -0.070 25449
1875 1 4 . 1 1 59 59 VAL H H 59 8.650 8.650 8.799 -0.149 25449
1876 1 4 . 1 1 60 60 ASP N N 60 118.500 118.500 120.815 -2.315 25449
1877 1 4 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.455 -0.235 25449
1878 1 4 . 1 1 60 60 ASP C C 60 178.300 178.300 177.876 0.424 25449
1879 1 4 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.810 -0.211 25449
1880 1 4 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.147 0.353 25449
1881 1 4 . 1 1 60 60 ASP H H 60 8.970 8.970 8.581 0.389 25449
1882 1 4 . 1 1 61 61 ASP N N 61 119.900 119.900 120.367 -0.467 25449
1883 1 4 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.546 -0.186 25449
1884 1 4 . 1 1 61 61 ASP C C 61 176.800 176.800 178.039 -1.239 25449
1885 1 4 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.941 -0.041 25449
1886 1 4 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.627 -0.827 25449
1887 1 4 . 1 1 61 61 ASP H H 61 6.920 6.920 8.418 -1.498 25449
1888 1 4 . 1 1 62 62 ALA N N 62 122.700 122.700 123.337 -0.637 25449
1889 1 4 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.157 0.223 25449
1890 1 4 . 1 1 62 62 ALA C C 62 171.600 171.600 178.904 -7.304 25449
1891 1 4 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.298 -0.198 25449
1892 1 4 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.293 -0.092 25449
1893 1 4 . 1 1 62 62 ALA H H 62 6.910 6.910 7.698 -0.788 25449
1894 1 4 . 1 1 63 63 LYS N N 63 116.200 116.200 118.729 -2.529 25449
1895 1 4 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.905 0.285 25449
1896 1 4 . 1 1 63 63 LYS C C 63 179.200 179.200 179.139 0.061 25449
1897 1 4 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.812 -0.512 25449
1898 1 4 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.297 0.303 25449
1899 1 4 . 1 1 63 63 LYS H H 63 8.020 8.020 7.614 0.406 25449
1900 1 4 . 1 1 64 64 HIS N N 64 117.400 117.400 117.163 0.237 25449
1901 1 4 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.429 -0.119 25449
1902 1 4 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.502 -0.502 25449
1903 1 4 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.973 -0.873 25449
1904 1 4 . 1 1 64 64 HIS H H 64 7.460 7.460 7.492 -0.032 25449
1905 1 4 . 1 1 65 65 ALA N N 65 123.700 123.700 121.419 2.281 25449
1906 1 4 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.882 -1.712 25449
1907 1 4 . 1 1 65 65 ALA C C 65 178.700 178.700 179.875 -1.175 25449
1908 1 4 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.635 0.165 25449
1909 1 4 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.405 0.994 25449
1910 1 4 . 1 1 65 65 ALA H H 65 8.190 8.190 7.742 0.448 25449
1911 1 4 . 1 1 66 66 LEU N N 66 119.800 119.800 119.772 0.028 25449
1912 1 4 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.974 -0.544 25449
1913 1 4 . 1 1 66 66 LEU C C 66 178.700 178.700 178.946 -0.246 25449
1914 1 4 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.667 2.033 25449
1915 1 4 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.564 -0.464 25449
1916 1 4 . 1 1 66 66 LEU H H 66 8.340 8.340 7.616 0.724 25449
1917 1 4 . 1 1 67 67 TYR N N 67 116.200 116.200 115.001 1.199 25449
1918 1 4 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.297 -0.287 25449
1919 1 4 . 1 1 67 67 TYR C C 67 177.700 177.700 177.072 0.628 25449
1920 1 4 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.287 -0.787 25449
1921 1 4 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.082 0.018 25449
1922 1 4 . 1 1 67 67 TYR H H 67 7.760 7.760 7.682 0.078 25449
1923 1 4 . 1 1 68 68 ASN N N 68 113.900 113.900 115.490 -1.590 25449
1924 1 4 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.730 -0.300 25449
1925 1 4 . 1 1 68 68 ASN C C 68 176.400 176.400 175.499 0.901 25449
1926 1 4 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.579 2.021 25449
1927 1 4 . 1 1 68 68 ASN CB C 68 41.400 41.400 39.106 2.293 25449
1928 1 4 . 1 1 68 68 ASN H H 68 7.480 7.480 7.753 -0.273 25449
1929 1 4 . 1 1 69 69 MET N N 69 114.900 114.900 116.961 -2.061 25449
1930 1 4 . 1 1 69 69 MET HA H 69 4.760 4.760 4.446 0.314 25449
1931 1 4 . 1 1 69 69 MET C C 69 177.000 177.000 177.131 -0.131 25449
1932 1 4 . 1 1 69 69 MET CA C 69 53.500 53.500 56.142 -2.642 25449
1933 1 4 . 1 1 69 69 MET CB C 69 31.100 31.100 33.219 -2.119 25449
1934 1 4 . 1 1 69 69 MET H H 69 8.310 8.310 7.487 0.823 25449
1935 1 4 . 1 1 70 70 ASN N N 70 117.700 117.700 120.466 -2.766 25449
1936 1 4 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.401 -0.031 25449
1937 1 4 . 1 1 70 70 ASN C C 70 176.400 176.400 175.778 0.622 25449
1938 1 4 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.299 0.801 25449
1939 1 4 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.543 1.157 25449
1940 1 4 . 1 1 70 70 ASN H H 70 7.660 7.660 8.054 -0.394 25449
1941 1 4 . 1 1 71 71 ASN N N 71 121.500 121.500 117.050 4.450 25449
1942 1 4 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.684 -0.174 25449
1943 1 4 . 1 1 71 71 ASN C C 71 173.300 173.300 175.038 -1.738 25449
1944 1 4 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.892 2.908 25449
1945 1 4 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.299 -0.099 25449
1946 1 4 . 1 1 71 71 ASN H H 71 8.600 8.600 8.406 0.194 25449
1947 1 4 . 1 1 72 72 PHE N N 72 122.300 122.300 121.867 0.433 25449
1948 1 4 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.594 -0.404 25449
1949 1 4 . 1 1 72 72 PHE C C 72 174.100 174.100 174.068 0.032 25449
1950 1 4 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.958 1.742 25449
1951 1 4 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.760 -0.460 25449
1952 1 4 . 1 1 72 72 PHE H H 72 7.870 7.870 7.550 0.320 25449
1953 1 4 . 1 1 73 73 GLU N N 73 126.100 126.100 126.194 -0.094 25449
1954 1 4 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.355 -0.125 25449
1955 1 4 . 1 1 73 73 GLU C C 73 173.000 173.000 173.986 -0.986 25449
1956 1 4 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.651 0.949 25449
1957 1 4 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.428 -2.128 25449
1958 1 4 . 1 1 73 73 GLU H H 73 7.690 7.690 7.502 0.188 25449
1959 1 4 . 1 1 74 74 LEU N N 74 128.900 128.900 126.933 1.967 25449
1960 1 4 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.233 0.287 25449
1961 1 4 . 1 1 74 74 LEU C C 74 175.500 175.500 175.762 -0.262 25449
1962 1 4 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.482 -1.182 25449
1963 1 4 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.864 1.736 25449
1964 1 4 . 1 1 74 74 LEU H H 74 8.620 8.620 8.170 0.450 25449
1965 1 4 . 1 1 75 75 ASN N N 75 126.800 126.800 122.195 4.605 25449
1966 1 4 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.492 -0.282 25449
1967 1 4 . 1 1 75 75 ASN C C 75 175.600 175.600 175.690 -0.090 25449
1968 1 4 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.913 -0.013 25449
1969 1 4 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.258 -0.358 25449
1970 1 4 . 1 1 75 75 ASN H H 75 9.520 9.520 8.957 0.563 25449
1971 1 4 . 1 1 76 76 GLY N N 76 102.300 102.300 103.955 -1.655 25449
1972 1 4 . 1 1 76 76 GLY C C 76 173.600 173.600 173.239 0.361 25449
1973 1 4 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.461 -0.161 25449
1974 1 4 . 1 1 76 76 GLY H H 76 8.500 8.500 8.362 0.138 25449
1975 1 4 . 1 1 77 77 LYS N N 77 120.800 120.800 119.093 1.707 25449
1976 1 4 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.415 0.155 25449
1977 1 4 . 1 1 77 77 LYS C C 77 175.100 175.100 175.254 -0.154 25449
1978 1 4 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.737 -0.537 25449
1979 1 4 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.802 -0.302 25449
1980 1 4 . 1 1 77 77 LYS H H 77 7.580 7.580 7.663 -0.083 25449
1981 1 4 . 1 1 78 78 ARG N N 78 123.300 123.300 124.474 -1.174 25449
1982 1 4 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.307 0.173 25449
1983 1 4 . 1 1 78 78 ARG C C 78 176.600 176.600 175.742 0.858 25449
1984 1 4 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.350 -0.050 25449
1985 1 4 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.239 0.061 25449
1986 1 4 . 1 1 78 78 ARG H H 78 8.580 8.580 8.497 0.083 25449
1987 1 4 . 1 1 79 79 ILE N N 79 120.100 120.100 122.453 -2.353 25449
1988 1 4 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.415 0.285 25449
1989 1 4 . 1 1 79 79 ILE C C 79 175.200 175.200 174.223 0.977 25449
1990 1 4 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.207 0.793 25449
1991 1 4 . 1 1 79 79 ILE CB C 79 39.400 39.400 40.139 -0.739 25449
1992 1 4 . 1 1 79 79 ILE H H 79 8.450 8.450 8.409 0.041 25449
1993 1 4 . 1 1 80 80 HIS N N 80 119.900 119.900 124.761 -4.861 25449
1994 1 4 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.859 0.331 25449
1995 1 4 . 1 1 80 80 HIS C C 80 173.600 173.600 173.881 -0.281 25449
1996 1 4 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.549 -1.749 25449
1997 1 4 . 1 1 80 80 HIS CB C 80 31.300 31.300 32.240 -0.941 25449
1998 1 4 . 1 1 80 80 HIS H H 80 8.580 8.580 8.155 0.425 25449
1999 1 4 . 1 1 81 81 VAL N N 81 123.800 123.800 125.656 -1.856 25449
2000 1 4 . 1 1 81 81 VAL HA H 81 5.280 5.280 5.000 0.280 25449
2001 1 4 . 1 1 81 81 VAL C C 81 173.600 173.600 174.947 -1.347 25449
2002 1 4 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.896 -0.696 25449
2003 1 4 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.587 1.413 25449
2004 1 4 . 1 1 81 81 VAL H H 81 8.650 8.650 8.361 0.289 25449
2005 1 4 . 1 1 82 82 ASN N N 82 121.100 121.100 123.565 -2.465 25449
2006 1 4 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.004 -0.254 25449
2007 1 4 . 1 1 82 82 ASN C C 82 174.000 174.000 172.963 1.037 25449
2008 1 4 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.661 0.239 25449
2009 1 4 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.781 1.119 25449
2010 1 4 . 1 1 82 82 ASN H H 82 8.890 8.890 8.471 0.419 25449
2011 1 4 . 1 1 83 83 TYR N N 83 120.400 120.400 119.883 0.517 25449
2012 1 4 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.746 0.054 25449
2013 1 4 . 1 1 83 83 TYR C C 83 177.100 177.100 174.732 2.368 25449
2014 1 4 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.439 0.961 25449
2015 1 4 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.794 -1.094 25449
2016 1 4 . 1 1 83 83 TYR H H 83 8.480 8.480 8.691 -0.211 25449
2017 1 4 . 1 1 84 84 SER N N 84 118.000 118.000 117.426 0.574 25449
2018 1 4 . 1 1 84 84 SER HA H 84 4.520 4.520 4.311 0.209 25449
2019 1 4 . 1 1 84 84 SER C C 84 174.100 174.100 172.857 1.243 25449
2020 1 4 . 1 1 84 84 SER CA C 84 57.700 57.700 56.882 0.818 25449
2021 1 4 . 1 1 84 84 SER CB C 84 64.300 64.300 64.897 -0.597 25449
2022 1 4 . 1 1 84 84 SER H H 84 9.040 9.040 7.513 1.527 25449
2023 1 4 . 1 1 85 85 LYS N N 85 125.300 125.300 121.340 3.960 25449
2024 1 4 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.350 0.090 25449
2025 1 4 . 1 1 85 85 LYS C C 85 175.600 175.600 174.981 0.619 25449
2026 1 4 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.481 0.819 25449
2027 1 4 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.400 1.300 25449
2028 1 4 . 1 1 85 85 LYS H H 85 8.410 8.410 8.008 0.402 25449
2029 1 5 . 1 1 -1 -1 SER N N -1 115.600 115.600 114.643 0.957 25449
2030 1 5 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.752 -0.342 25449
2031 1 5 . 1 1 -1 -1 SER C C -1 172.000 172.000 172.949 -0.949 25449
2032 1 5 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.614 0.586 25449
2033 1 5 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.059 -1.159 25449
2034 1 5 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.746 -0.076 25449
2035 1 5 . 1 1 0 0 HIS N N 0 121.200 121.200 119.722 1.478 25449
2036 1 5 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.553 0.037 25449
2037 1 5 . 1 1 0 0 HIS C C 0 174.800 174.800 174.142 0.658 25449
2038 1 5 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.575 -0.475 25449
2039 1 5 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.963 -1.063 25449
2040 1 5 . 1 1 0 0 HIS H H 0 8.730 8.730 7.824 0.906 25449
2041 1 5 . 1 1 1 1 MET N N 1 121.800 121.800 122.462 -0.662 25449
2042 1 5 . 1 1 1 1 MET HA H 1 4.370 4.370 4.791 -0.421 25449
2043 1 5 . 1 1 1 1 MET C C 1 176.300 176.300 174.888 1.412 25449
2044 1 5 . 1 1 1 1 MET CA C 1 55.700 55.700 55.175 0.526 25449
2045 1 5 . 1 1 1 1 MET CB C 1 32.800 32.800 34.032 -1.232 25449
2046 1 5 . 1 1 1 1 MET H H 1 8.450 8.450 8.491 -0.041 25449
2047 1 5 . 1 1 2 2 SER N N 2 116.700 116.700 119.292 -2.592 25449
2048 1 5 . 1 1 2 2 SER HA H 2 4.370 4.370 4.744 -0.374 25449
2049 1 5 . 1 1 2 2 SER C C 2 174.200 174.200 173.110 1.090 25449
2050 1 5 . 1 1 2 2 SER CA C 2 58.400 58.400 57.984 0.416 25449
2051 1 5 . 1 1 2 2 SER CB C 2 63.800 63.800 64.652 -0.852 25449
2052 1 5 . 1 1 2 2 SER H H 2 8.410 8.410 8.345 0.064 25449
2053 1 5 . 1 1 3 3 ASP N N 3 122.100 122.100 121.544 0.556 25449
2054 1 5 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.894 -0.344 25449
2055 1 5 . 1 1 3 3 ASP C C 3 176.100 176.100 174.470 1.630 25449
2056 1 5 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.059 0.441 25449
2057 1 5 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.519 0.681 25449
2058 1 5 . 1 1 3 3 ASP H H 3 8.340 8.340 8.476 -0.136 25449
2059 1 5 . 1 1 4 4 ASN N N 4 119.100 119.100 117.222 1.878 25449
2060 1 5 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.874 -0.294 25449
2061 1 5 . 1 1 4 4 ASN C C 4 174.900 174.900 175.333 -0.433 25449
2062 1 5 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.563 1.137 25449
2063 1 5 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.237 -1.337 25449
2064 1 5 . 1 1 4 4 ASN H H 4 8.420 8.420 7.826 0.594 25449
2065 1 5 . 1 1 5 5 ASN N N 5 118.400 118.400 118.980 -0.580 25449
2066 1 5 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.590 -0.050 25449
2067 1 5 . 1 1 5 5 ASN C C 5 173.900 173.900 174.258 -0.358 25449
2068 1 5 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.518 -0.318 25449
2069 1 5 . 1 1 5 5 ASN CB C 5 38.700 38.700 39.008 -0.308 25449
2070 1 5 . 1 1 5 5 ASN H H 5 8.340 8.340 8.725 -0.385 25449
2071 1 5 . 1 1 6 6 ALA N N 6 122.100 122.100 119.623 2.477 25449
2072 1 5 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.368 -0.628 25449
2073 1 5 . 1 1 6 6 ALA C C 6 177.000 177.000 175.427 1.573 25449
2074 1 5 . 1 1 6 6 ALA CA C 6 52.300 52.300 51.729 0.571 25449
2075 1 5 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.872 1.128 25449
2076 1 5 . 1 1 6 6 ALA H H 6 7.590 7.590 7.297 0.293 25449
2077 1 5 . 1 1 7 7 THR N N 7 112.700 112.700 117.080 -4.380 25449
2078 1 5 . 1 1 7 7 THR HA H 7 4.390 4.390 4.406 -0.016 25449
2079 1 5 . 1 1 7 7 THR C C 7 171.700 171.700 175.104 -3.404 25449
2080 1 5 . 1 1 7 7 THR CA C 7 59.800 59.800 60.731 -0.931 25449
2081 1 5 . 1 1 7 7 THR CB C 7 70.600 70.600 70.218 0.382 25449
2082 1 5 . 1 1 7 7 THR H H 7 6.840 6.840 7.804 -0.964 25449
2083 1 5 . 1 1 8 8 ASP N N 8 114.600 114.600 123.477 -8.877 25449
2084 1 5 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.309 0.181 25449
2085 1 5 . 1 1 8 8 ASP C C 8 174.300 174.300 174.346 -0.046 25449
2086 1 5 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.674 -2.174 25449
2087 1 5 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.865 -0.065 25449
2088 1 5 . 1 1 8 8 ASP H H 8 8.170 8.170 8.749 -0.579 25449
2089 1 5 . 1 1 9 9 ILE N N 9 117.800 117.800 118.392 -0.592 25449
2090 1 5 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.319 0.491 25449
2091 1 5 . 1 1 9 9 ILE C C 9 174.700 174.700 174.196 0.504 25449
2092 1 5 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.598 0.002 25449
2093 1 5 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.050 0.250 25449
2094 1 5 . 1 1 9 9 ILE H H 9 7.890 7.890 7.472 0.418 25449
2095 1 5 . 1 1 10 10 LEU N N 10 125.300 125.300 127.627 -2.327 25449
2096 1 5 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.935 0.025 25449
2097 1 5 . 1 1 10 10 LEU C C 10 176.100 176.100 175.335 0.765 25449
2098 1 5 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.881 -0.981 25449
2099 1 5 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.106 -1.006 25449
2100 1 5 . 1 1 10 10 LEU H H 10 9.370 9.370 8.275 1.095 25449
2101 1 5 . 1 1 11 11 PHE N N 11 124.300 124.300 127.231 -2.931 25449
2102 1 5 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.813 -0.143 25449
2103 1 5 . 1 1 11 11 PHE C C 11 173.400 173.400 174.313 -0.913 25449
2104 1 5 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.837 -0.837 25449
2105 1 5 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.757 -0.057 25449
2106 1 5 . 1 1 11 11 PHE H H 11 9.310 9.310 8.799 0.511 25449
2107 1 5 . 1 1 12 12 VAL N N 12 128.300 128.300 126.646 1.654 25449
2108 1 5 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.316 0.104 25449
2109 1 5 . 1 1 12 12 VAL C C 12 173.900 173.900 174.741 -0.841 25449
2110 1 5 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.151 0.049 25449
2111 1 5 . 1 1 12 12 VAL CB C 12 33.100 33.100 34.995 -1.895 25449
2112 1 5 . 1 1 12 12 VAL H H 12 8.380 8.380 7.873 0.507 25449
2113 1 5 . 1 1 13 13 GLY N N 13 111.800 111.800 110.859 0.941 25449
2114 1 5 . 1 1 13 13 GLY C C 13 173.800 173.800 173.864 -0.064 25449
2115 1 5 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.543 -0.143 25449
2116 1 5 . 1 1 13 13 GLY H H 13 9.150 9.150 8.495 0.655 25449
2117 1 5 . 1 1 14 14 GLY N N 14 107.600 107.600 107.418 0.182 25449
2118 1 5 . 1 1 14 14 GLY C C 14 175.400 175.400 174.091 1.309 25449
2119 1 5 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.609 1.191 25449
2120 1 5 . 1 1 14 14 GLY H H 14 8.260 8.260 8.402 -0.142 25449
2121 1 5 . 1 1 15 15 ILE N N 15 111.100 111.100 122.043 -10.943 25449
2122 1 5 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.340 -0.300 25449
2123 1 5 . 1 1 15 15 ILE C C 15 175.500 175.500 175.310 0.190 25449
2124 1 5 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.094 1.406 25449
2125 1 5 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.813 -1.313 25449
2126 1 5 . 1 1 15 15 ILE H H 15 6.930 6.930 7.561 -0.631 25449
2127 1 5 . 1 1 16 16 ASP N N 16 122.800 122.800 121.166 1.634 25449
2128 1 5 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.533 0.047 25449
2129 1 5 . 1 1 16 16 ASP C C 16 177.200 177.200 176.765 0.435 25449
2130 1 5 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.017 -0.318 25449
2131 1 5 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.329 0.171 25449
2132 1 5 . 1 1 16 16 ASP H H 16 8.320 8.320 8.630 -0.310 25449
2133 1 5 . 1 1 17 17 GLU N N 17 119.600 119.600 117.784 1.816 25449
2134 1 5 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.271 -0.131 25449
2135 1 5 . 1 1 17 17 GLU C C 17 176.800 176.800 175.983 0.817 25449
2136 1 5 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.957 1.643 25449
2137 1 5 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.885 0.915 25449
2138 1 5 . 1 1 17 17 GLU H H 17 8.830 8.830 8.723 0.107 25449
2139 1 5 . 1 1 18 18 THR N N 18 111.300 111.300 114.599 -3.299 25449
2140 1 5 . 1 1 18 18 THR HA H 18 4.250 4.250 4.550 -0.300 25449
2141 1 5 . 1 1 18 18 THR C C 18 175.200 175.200 174.436 0.764 25449
2142 1 5 . 1 1 18 18 THR CA C 18 62.600 62.600 60.858 1.742 25449
2143 1 5 . 1 1 18 18 THR CB C 18 69.600 69.600 69.359 0.241 25449
2144 1 5 . 1 1 18 18 THR H H 18 8.740 8.740 7.782 0.958 25449
2145 1 5 . 1 1 19 19 ILE N N 19 123.300 123.300 119.254 4.046 25449
2146 1 5 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.301 -0.421 25449
2147 1 5 . 1 1 19 19 ILE C C 19 174.300 174.300 174.294 0.006 25449
2148 1 5 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.694 1.206 25449
2149 1 5 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.295 -2.695 25449
2150 1 5 . 1 1 19 19 ILE H H 19 7.220 7.220 7.393 -0.173 25449
2151 1 5 . 1 1 20 20 ASP N N 20 125.600 125.600 123.114 2.486 25449
2152 1 5 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.795 -0.155 25449
2153 1 5 . 1 1 20 20 ASP C C 20 175.300 175.300 176.938 -1.638 25449
2154 1 5 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.291 -1.791 25449
2155 1 5 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.478 -0.478 25449
2156 1 5 . 1 1 20 20 ASP H H 20 7.790 7.790 8.292 -0.502 25449
2157 1 5 . 1 1 21 21 GLU N N 21 118.400 118.400 121.825 -3.425 25449
2158 1 5 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449
2159 1 5 . 1 1 21 21 GLU C C 21 177.900 177.900 177.973 -0.073 25449
2160 1 5 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.974 0.926 25449
2161 1 5 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.598 -0.398 25449
2162 1 5 . 1 1 21 21 GLU H H 21 9.220 9.220 8.859 0.361 25449
2163 1 5 . 1 1 22 22 LYS N N 22 119.700 119.700 117.432 2.268 25449
2164 1 5 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.181 -0.121 25449
2165 1 5 . 1 1 22 22 LYS C C 22 178.500 178.500 178.677 -0.177 25449
2166 1 5 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.952 0.348 25449
2167 1 5 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.341 0.459 25449
2168 1 5 . 1 1 22 22 LYS H H 22 8.040 8.040 8.520 -0.480 25449
2169 1 5 . 1 1 23 23 SER N N 23 114.900 114.900 116.833 -1.933 25449
2170 1 5 . 1 1 23 23 SER HA H 23 4.300 4.300 4.311 -0.011 25449
2171 1 5 . 1 1 23 23 SER C C 23 177.600 177.600 176.465 1.135 25449
2172 1 5 . 1 1 23 23 SER CA C 23 61.800 61.800 61.394 0.406 25449
2173 1 5 . 1 1 23 23 SER CB C 23 62.900 62.900 62.496 0.404 25449
2174 1 5 . 1 1 23 23 SER H H 23 8.240 8.240 8.179 0.061 25449
2175 1 5 . 1 1 24 24 LEU N N 24 118.800 118.800 121.488 -2.688 25449
2176 1 5 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.218 -0.038 25449
2177 1 5 . 1 1 24 24 LEU C C 24 178.700 178.700 178.907 -0.207 25449
2178 1 5 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.853 0.447 25449
2179 1 5 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.471 0.629 25449
2180 1 5 . 1 1 24 24 LEU H H 24 7.750 7.750 7.389 0.361 25449
2181 1 5 . 1 1 25 25 TYR N N 25 123.200 123.200 120.846 2.354 25449
2182 1 5 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.061 -0.431 25449
2183 1 5 . 1 1 25 25 TYR C C 25 178.600 178.600 177.256 1.344 25449
2184 1 5 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.038 2.162 25449
2185 1 5 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.585 -0.385 25449
2186 1 5 . 1 1 25 25 TYR H H 25 8.970 8.970 7.497 1.473 25449
2187 1 5 . 1 1 26 26 ASP N N 26 119.800 119.800 119.448 0.352 25449
2188 1 5 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.508 -0.238 25449
2189 1 5 . 1 1 26 26 ASP C C 26 177.900 177.900 179.281 -1.381 25449
2190 1 5 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.382 0.318 25449
2191 1 5 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.152 -1.152 25449
2192 1 5 . 1 1 26 26 ASP H H 26 8.510 8.510 7.750 0.760 25449
2193 1 5 . 1 1 27 27 ILE N N 27 114.700 114.700 120.142 -5.442 25449
2194 1 5 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.904 0.056 25449
2195 1 5 . 1 1 27 27 ILE C C 27 177.700 177.700 177.912 -0.212 25449
2196 1 5 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.958 -1.658 25449
2197 1 5 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.317 0.683 25449
2198 1 5 . 1 1 27 27 ILE H H 27 7.320 7.320 7.759 -0.439 25449
2199 1 5 . 1 1 28 28 PHE N N 28 116.900 116.900 115.273 1.627 25449
2200 1 5 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.551 -0.181 25449
2201 1 5 . 1 1 28 28 PHE C C 28 179.900 179.900 176.506 3.394 25449
2202 1 5 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.455 3.845 25449
2203 1 5 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.475 -1.175 25449
2204 1 5 . 1 1 28 28 PHE H H 28 8.650 8.650 8.363 0.287 25449
2205 1 5 . 1 1 29 29 SER N N 29 120.100 120.100 112.382 7.718 25449
2206 1 5 . 1 1 29 29 SER HA H 29 4.410 4.410 4.742 -0.332 25449
2207 1 5 . 1 1 29 29 SER C C 29 175.600 175.600 175.488 0.112 25449
2208 1 5 . 1 1 29 29 SER CA C 29 61.300 61.300 59.281 2.019 25449
2209 1 5 . 1 1 29 29 SER CB C 29 62.200 62.200 63.526 -1.326 25449
2210 1 5 . 1 1 29 29 SER H H 29 8.880 8.880 7.546 1.334 25449
2211 1 5 . 1 1 30 30 SER N N 30 116.200 116.200 117.377 -1.177 25449
2212 1 5 . 1 1 30 30 SER HA H 30 3.940 3.940 4.296 -0.356 25449
2213 1 5 . 1 1 30 30 SER C C 30 174.900 174.900 175.639 -0.739 25449
2214 1 5 . 1 1 30 30 SER CA C 30 60.400 60.400 60.820 -0.420 25449
2215 1 5 . 1 1 30 30 SER CB C 30 62.400 62.400 63.158 -0.758 25449
2216 1 5 . 1 1 30 30 SER H H 30 7.270 7.270 8.209 -0.939 25449
2217 1 5 . 1 1 31 31 PHE N N 31 115.600 115.600 121.715 -6.115 25449
2218 1 5 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.580 -0.300 25449
2219 1 5 . 1 1 31 31 PHE C C 31 174.100 174.100 176.326 -2.226 25449
2220 1 5 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.986 -0.086 25449
2221 1 5 . 1 1 31 31 PHE CB C 31 39.300 39.300 39.977 -0.678 25449
2222 1 5 . 1 1 31 31 PHE H H 31 6.980 6.980 8.106 -1.126 25449
2223 1 5 . 1 1 32 32 GLY N N 32 104.900 104.900 106.978 -2.078 25449
2224 1 5 . 1 1 32 32 GLY C C 32 171.600 171.600 172.745 -1.145 25449
2225 1 5 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.632 -0.332 25449
2226 1 5 . 1 1 32 32 GLY H H 32 7.300 7.300 7.565 -0.265 25449
2227 1 5 . 1 1 33 33 ASP N N 33 116.100 116.100 126.451 -10.351 25449
2228 1 5 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.562 -0.052 25449
2229 1 5 . 1 1 33 33 ASP C C 33 176.800 176.800 174.504 2.296 25449
2230 1 5 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.494 -0.094 25449
2231 1 5 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.193 -1.593 25449
2232 1 5 . 1 1 33 33 ASP H H 33 8.120 8.120 8.459 -0.339 25449
2233 1 5 . 1 1 34 34 ILE N N 34 126.400 126.400 118.917 7.483 25449
2234 1 5 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.105 -0.255 25449
2235 1 5 . 1 1 34 34 ILE C C 34 176.200 176.200 176.092 0.108 25449
2236 1 5 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.174 2.026 25449
2237 1 5 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.386 0.514 25449
2238 1 5 . 1 1 34 34 ILE H H 34 8.670 8.670 8.041 0.629 25449
2239 1 5 . 1 1 35 35 ARG N N 35 128.900 128.900 125.528 3.372 25449
2240 1 5 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.196 -0.036 25449
2241 1 5 . 1 1 35 35 ARG C C 35 175.600 175.600 176.040 -0.440 25449
2242 1 5 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.107 -0.607 25449
2243 1 5 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.191 0.509 25449
2244 1 5 . 1 1 35 35 ARG H H 35 9.320 9.320 8.392 0.928 25449
2245 1 5 . 1 1 36 36 ASN N N 36 114.300 114.300 115.698 -1.398 25449
2246 1 5 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.792 -0.082 25449
2247 1 5 . 1 1 36 36 ASN C C 36 172.000 172.000 172.986 -0.986 25449
2248 1 5 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.334 0.167 25449
2249 1 5 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.657 1.943 25449
2250 1 5 . 1 1 36 36 ASN H H 36 7.620 7.620 8.096 -0.476 25449
2251 1 5 . 1 1 37 37 ILE N N 37 122.700 122.700 123.766 -1.066 25449
2252 1 5 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.503 0.267 25449
2253 1 5 . 1 1 37 37 ILE C C 37 173.300 173.300 174.785 -1.485 25449
2254 1 5 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.838 -0.238 25449
2255 1 5 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.766 1.434 25449
2256 1 5 . 1 1 37 37 ILE H H 37 8.030 8.030 8.471 -0.441 25449
2257 1 5 . 1 1 38 38 GLU N N 38 126.700 126.700 129.424 -2.724 25449
2258 1 5 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.666 -0.006 25449
2259 1 5 . 1 1 38 38 GLU C C 38 174.800 174.800 174.211 0.589 25449
2260 1 5 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.509 -1.109 25449
2261 1 5 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.104 2.296 25449
2262 1 5 . 1 1 38 38 GLU H H 38 8.870 8.870 8.548 0.322 25449
2263 1 5 . 1 1 39 39 VAL N N 39 126.400 126.400 127.400 -1.000 25449
2264 1 5 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.767 -0.067 25449
2265 1 5 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.225 -0.625 25449
2266 1 5 . 1 1 39 39 VAL H H 39 8.970 8.970 8.315 0.655 25449
2267 1 5 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.331 -0.101 25449
2268 1 5 . 1 1 40 40 PRO C C 40 176.300 176.300 175.279 1.021 25449
2269 1 5 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.702 0.598 25449
2270 1 5 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.198 0.302 25449
2271 1 5 . 1 1 41 41 LEU N N 41 120.700 120.700 123.038 -2.338 25449
2272 1 5 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.615 -0.095 25449
2273 1 5 . 1 1 41 41 LEU C C 41 177.900 177.900 175.638 2.262 25449
2274 1 5 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.379 -0.279 25449
2275 1 5 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.880 -1.580 25449
2276 1 5 . 1 1 41 41 LEU H H 41 8.520 8.520 8.126 0.394 25449
2277 1 5 . 1 1 42 42 ASN N N 42 121.400 121.400 122.254 -0.854 25449
2278 1 5 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.911 -0.351 25449
2279 1 5 . 1 1 42 42 ASN C C 42 176.700 176.700 176.003 0.697 25449
2280 1 5 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.204 0.696 25449
2281 1 5 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.867 -0.867 25449
2282 1 5 . 1 1 42 42 ASN H H 42 8.740 8.740 8.243 0.497 25449
2283 1 5 . 1 1 43 43 MET N N 43 125.500 125.500 125.805 -0.305 25449
2284 1 5 . 1 1 43 43 MET HA H 43 4.210 4.210 4.427 -0.217 25449
2285 1 5 . 1 1 43 43 MET C C 43 177.200 177.200 176.727 0.473 25449
2286 1 5 . 1 1 43 43 MET CA C 43 57.100 57.100 56.759 0.341 25449
2287 1 5 . 1 1 43 43 MET CB C 43 31.600 31.600 31.779 -0.179 25449
2288 1 5 . 1 1 43 43 MET H H 43 9.080 9.080 9.107 -0.027 25449
2289 1 5 . 1 1 44 44 THR N N 44 114.400 114.400 114.667 -0.267 25449
2290 1 5 . 1 1 44 44 THR HA H 44 4.160 4.160 4.323 -0.163 25449
2291 1 5 . 1 1 44 44 THR C C 44 175.900 175.900 175.966 -0.066 25449
2292 1 5 . 1 1 44 44 THR CA C 44 65.200 65.200 64.898 0.301 25449
2293 1 5 . 1 1 44 44 THR CB C 44 68.700 68.700 69.150 -0.450 25449
2294 1 5 . 1 1 44 44 THR H H 44 8.590 8.590 7.932 0.658 25449
2295 1 5 . 1 1 45 45 THR N N 45 110.300 110.300 113.906 -3.606 25449
2296 1 5 . 1 1 45 45 THR HA H 45 4.160 4.160 4.382 -0.222 25449
2297 1 5 . 1 1 45 45 THR C C 45 175.500 175.500 173.691 1.809 25449
2298 1 5 . 1 1 45 45 THR CA C 45 62.000 62.000 61.149 0.851 25449
2299 1 5 . 1 1 45 45 THR CB C 45 70.000 70.000 69.575 0.425 25449
2300 1 5 . 1 1 45 45 THR H H 45 7.610 7.610 7.559 0.051 25449
2301 1 5 . 1 1 46 46 LYS N N 46 115.700 115.700 122.078 -6.378 25449
2302 1 5 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.938 -0.218 25449
2303 1 5 . 1 1 46 46 LYS C C 46 174.600 174.600 173.841 0.759 25449
2304 1 5 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.325 0.275 25449
2305 1 5 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.968 -2.068 25449
2306 1 5 . 1 1 46 46 LYS H H 46 8.460 8.460 8.194 0.266 25449
2307 1 5 . 1 1 47 47 LYS N N 47 117.100 117.100 121.495 -4.395 25449
2308 1 5 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.572 0.108 25449
2309 1 5 . 1 1 47 47 LYS C C 47 176.300 176.300 176.457 -0.157 25449
2310 1 5 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.804 0.196 25449
2311 1 5 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.206 0.894 25449
2312 1 5 . 1 1 47 47 LYS H H 47 7.610 7.610 7.989 -0.379 25449
2313 1 5 . 1 1 48 48 ASN N N 48 117.700 117.700 120.382 -2.682 25449
2314 1 5 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.811 -0.111 25449
2315 1 5 . 1 1 48 48 ASN C C 48 174.000 174.000 175.540 -1.540 25449
2316 1 5 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.643 0.957 25449
2317 1 5 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.009 -1.309 25449
2318 1 5 . 1 1 48 48 ASN H H 48 8.740 8.740 8.724 0.016 25449
2319 1 5 . 1 1 49 49 ARG N N 49 116.800 116.800 116.338 0.462 25449
2320 1 5 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.001 0.349 25449
2321 1 5 . 1 1 49 49 ARG C C 49 177.500 177.500 176.465 1.035 25449
2322 1 5 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.630 -1.030 25449
2323 1 5 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.101 4.499 25449
2324 1 5 . 1 1 49 49 ARG H H 49 8.530 8.530 8.348 0.182 25449
2325 1 5 . 1 1 50 50 GLY N N 50 108.300 108.300 106.046 2.254 25449
2326 1 5 . 1 1 50 50 GLY C C 50 173.500 173.500 173.300 0.200 25449
2327 1 5 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.260 0.540 25449
2328 1 5 . 1 1 50 50 GLY H H 50 8.900 8.900 8.880 0.020 25449
2329 1 5 . 1 1 51 51 PHE N N 51 113.900 113.900 115.731 -1.831 25449
2330 1 5 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.647 0.823 25449
2331 1 5 . 1 1 51 51 PHE C C 51 172.000 172.000 172.336 -0.336 25449
2332 1 5 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.069 -1.069 25449
2333 1 5 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.681 2.019 25449
2334 1 5 . 1 1 51 51 PHE H H 51 6.910 6.910 7.357 -0.447 25449
2335 1 5 . 1 1 52 52 ALA N N 52 120.500 120.500 124.714 -4.214 25449
2336 1 5 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.275 0.355 25449
2337 1 5 . 1 1 52 52 ALA C C 52 173.900 173.900 174.540 -0.640 25449
2338 1 5 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.600 -0.400 25449
2339 1 5 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.485 2.615 25449
2340 1 5 . 1 1 52 52 ALA H H 52 8.810 8.810 7.884 0.926 25449
2341 1 5 . 1 1 53 53 PHE N N 53 115.000 115.000 119.321 -4.321 25449
2342 1 5 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.874 0.786 25449
2343 1 5 . 1 1 53 53 PHE C C 53 175.600 175.600 174.934 0.666 25449
2344 1 5 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.749 0.451 25449
2345 1 5 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.270 1.130 25449
2346 1 5 . 1 1 53 53 PHE H H 53 8.730 8.730 7.848 0.882 25449
2347 1 5 . 1 1 54 54 VAL N N 54 122.300 122.300 121.436 0.864 25449
2348 1 5 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.330 -0.230 25449
2349 1 5 . 1 1 54 54 VAL C C 54 173.000 173.000 174.196 -1.196 25449
2350 1 5 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.382 0.318 25449
2351 1 5 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.843 -0.443 25449
2352 1 5 . 1 1 54 54 VAL H H 54 9.060 9.060 8.405 0.655 25449
2353 1 5 . 1 1 55 55 GLU N N 55 127.300 127.300 126.847 0.453 25449
2354 1 5 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.740 0.420 25449
2355 1 5 . 1 1 55 55 GLU C C 55 175.900 175.900 175.626 0.274 25449
2356 1 5 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.957 -0.957 25449
2357 1 5 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.821 -1.121 25449
2358 1 5 . 1 1 55 55 GLU H H 55 8.860 8.860 8.261 0.599 25449
2359 1 5 . 1 1 56 56 TYR N N 56 127.500 127.500 122.210 5.290 25449
2360 1 5 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.642 -0.122 25449
2361 1 5 . 1 1 56 56 TYR C C 56 175.000 175.000 176.361 -1.361 25449
2362 1 5 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.288 1.412 25449
2363 1 5 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.383 -1.183 25449
2364 1 5 . 1 1 56 56 TYR H H 56 9.470 9.470 8.210 1.260 25449
2365 1 5 . 1 1 57 57 VAL N N 57 119.200 119.200 119.889 -0.689 25449
2366 1 5 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.033 -0.463 25449
2367 1 5 . 1 1 57 57 VAL C C 57 177.000 177.000 175.438 1.562 25449
2368 1 5 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.415 1.885 25449
2369 1 5 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.350 -0.350 25449
2370 1 5 . 1 1 57 57 VAL H H 57 7.800 7.800 8.306 -0.506 25449
2371 1 5 . 1 1 58 58 GLU N N 58 118.500 118.500 118.339 0.161 25449
2372 1 5 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.578 0.202 25449
2373 1 5 . 1 1 58 58 GLU C C 58 177.500 177.500 176.493 1.007 25449
2374 1 5 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.233 -1.433 25449
2375 1 5 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.866 -0.366 25449
2376 1 5 . 1 1 58 58 GLU H H 58 9.530 9.530 8.074 1.456 25449
2377 1 5 . 1 1 59 59 VAL N N 59 125.200 125.200 125.455 -0.255 25449
2378 1 5 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.820 -0.290 25449
2379 1 5 . 1 1 59 59 VAL C C 59 177.600 177.600 176.525 1.075 25449
2380 1 5 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.218 0.882 25449
2381 1 5 . 1 1 59 59 VAL CB C 59 31.700 31.700 31.715 -0.015 25449
2382 1 5 . 1 1 59 59 VAL H H 59 8.650 8.650 8.820 -0.170 25449
2383 1 5 . 1 1 60 60 ASP N N 60 118.500 118.500 120.826 -2.326 25449
2384 1 5 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.420 -0.200 25449
2385 1 5 . 1 1 60 60 ASP C C 60 178.300 178.300 177.922 0.378 25449
2386 1 5 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.822 -0.222 25449
2387 1 5 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.062 0.438 25449
2388 1 5 . 1 1 60 60 ASP H H 60 8.970 8.970 8.616 0.354 25449
2389 1 5 . 1 1 61 61 ASP N N 61 119.900 119.900 120.425 -0.525 25449
2390 1 5 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.521 -0.161 25449
2391 1 5 . 1 1 61 61 ASP C C 61 176.800 176.800 178.053 -1.253 25449
2392 1 5 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.919 -0.019 25449
2393 1 5 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.600 -0.800 25449
2394 1 5 . 1 1 61 61 ASP H H 61 6.920 6.920 8.384 -1.464 25449
2395 1 5 . 1 1 62 62 ALA N N 62 122.700 122.700 123.320 -0.620 25449
2396 1 5 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.115 0.265 25449
2397 1 5 . 1 1 62 62 ALA C C 62 171.600 171.600 178.966 -7.366 25449
2398 1 5 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.248 -0.148 25449
2399 1 5 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.261 -0.061 25449
2400 1 5 . 1 1 62 62 ALA H H 62 6.910 6.910 7.683 -0.773 25449
2401 1 5 . 1 1 63 63 LYS N N 63 116.200 116.200 118.529 -2.329 25449
2402 1 5 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.822 0.368 25449
2403 1 5 . 1 1 63 63 LYS C C 63 179.200 179.200 178.874 0.326 25449
2404 1 5 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.867 -0.567 25449
2405 1 5 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.307 0.293 25449
2406 1 5 . 1 1 63 63 LYS H H 63 8.020 8.020 7.470 0.550 25449
2407 1 5 . 1 1 64 64 HIS N N 64 117.400 117.400 117.344 0.056 25449
2408 1 5 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.415 -0.105 25449
2409 1 5 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.546 -0.546 25449
2410 1 5 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.174 -1.074 25449
2411 1 5 . 1 1 64 64 HIS H H 64 7.460 7.460 7.482 -0.022 25449
2412 1 5 . 1 1 65 65 ALA N N 65 123.700 123.700 122.176 1.524 25449
2413 1 5 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.865 -1.695 25449
2414 1 5 . 1 1 65 65 ALA C C 65 178.700 178.700 179.178 -0.478 25449
2415 1 5 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.796 0.004 25449
2416 1 5 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.391 1.009 25449
2417 1 5 . 1 1 65 65 ALA H H 65 8.190 8.190 7.872 0.318 25449
2418 1 5 . 1 1 66 66 LEU N N 66 119.800 119.800 118.299 1.501 25449
2419 1 5 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.038 -0.608 25449
2420 1 5 . 1 1 66 66 LEU C C 66 178.700 178.700 178.980 -0.280 25449
2421 1 5 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.596 2.104 25449
2422 1 5 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.509 -0.409 25449
2423 1 5 . 1 1 66 66 LEU H H 66 8.340 8.340 7.450 0.890 25449
2424 1 5 . 1 1 67 67 TYR N N 67 116.200 116.200 120.108 -3.908 25449
2425 1 5 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.088 -0.078 25449
2426 1 5 . 1 1 67 67 TYR C C 67 177.700 177.700 177.523 0.177 25449
2427 1 5 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.175 -1.675 25449
2428 1 5 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.494 -0.394 25449
2429 1 5 . 1 1 67 67 TYR H H 67 7.760 7.760 7.681 0.079 25449
2430 1 5 . 1 1 68 68 ASN N N 68 113.900 113.900 116.211 -2.311 25449
2431 1 5 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.564 -0.134 25449
2432 1 5 . 1 1 68 68 ASN C C 68 176.400 176.400 175.725 0.675 25449
2433 1 5 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.813 0.787 25449
2434 1 5 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.722 2.678 25449
2435 1 5 . 1 1 68 68 ASN H H 68 7.480 7.480 7.749 -0.269 25449
2436 1 5 . 1 1 69 69 MET N N 69 114.900 114.900 116.434 -1.534 25449
2437 1 5 . 1 1 69 69 MET HA H 69 4.760 4.760 4.492 0.268 25449
2438 1 5 . 1 1 69 69 MET C C 69 177.000 177.000 176.407 0.593 25449
2439 1 5 . 1 1 69 69 MET CA C 69 53.500 53.500 55.447 -1.947 25449
2440 1 5 . 1 1 69 69 MET CB C 69 31.100 31.100 32.683 -1.583 25449
2441 1 5 . 1 1 69 69 MET H H 69 8.310 8.310 7.362 0.948 25449
2442 1 5 . 1 1 70 70 ASN N N 70 117.700 117.700 119.222 -1.522 25449
2443 1 5 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.603 -0.233 25449
2444 1 5 . 1 1 70 70 ASN C C 70 176.400 176.400 175.890 0.510 25449
2445 1 5 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.050 1.050 25449
2446 1 5 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.964 0.736 25449
2447 1 5 . 1 1 70 70 ASN H H 70 7.660 7.660 8.034 -0.374 25449
2448 1 5 . 1 1 71 71 ASN N N 71 121.500 121.500 117.249 4.251 25449
2449 1 5 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.692 -0.182 25449
2450 1 5 . 1 1 71 71 ASN C C 71 173.300 173.300 174.402 -1.102 25449
2451 1 5 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.907 2.893 25449
2452 1 5 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.265 -0.065 25449
2453 1 5 . 1 1 71 71 ASN H H 71 8.600 8.600 8.237 0.363 25449
2454 1 5 . 1 1 72 72 PHE N N 72 122.300 122.300 120.846 1.454 25449
2455 1 5 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.595 -0.405 25449
2456 1 5 . 1 1 72 72 PHE C C 72 174.100 174.100 173.933 0.167 25449
2457 1 5 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.796 1.904 25449
2458 1 5 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.633 -0.333 25449
2459 1 5 . 1 1 72 72 PHE H H 72 7.870 7.870 7.489 0.381 25449
2460 1 5 . 1 1 73 73 GLU N N 73 126.100 126.100 126.559 -0.459 25449
2461 1 5 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.449 -0.219 25449
2462 1 5 . 1 1 73 73 GLU C C 73 173.000 173.000 174.002 -1.002 25449
2463 1 5 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.404 1.196 25449
2464 1 5 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.463 -2.163 25449
2465 1 5 . 1 1 73 73 GLU H H 73 7.690 7.690 7.627 0.063 25449
2466 1 5 . 1 1 74 74 LEU N N 74 128.900 128.900 126.589 2.311 25449
2467 1 5 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.290 0.230 25449
2468 1 5 . 1 1 74 74 LEU C C 74 175.500 175.500 176.088 -0.588 25449
2469 1 5 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.513 -1.213 25449
2470 1 5 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.951 1.649 25449
2471 1 5 . 1 1 74 74 LEU H H 74 8.620 8.620 8.196 0.424 25449
2472 1 5 . 1 1 75 75 ASN N N 75 126.800 126.800 123.228 3.572 25449
2473 1 5 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.470 -0.260 25449
2474 1 5 . 1 1 75 75 ASN C C 75 175.600 175.600 175.791 -0.191 25449
2475 1 5 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.821 0.079 25449
2476 1 5 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.971 -0.071 25449
2477 1 5 . 1 1 75 75 ASN H H 75 9.520 9.520 9.099 0.421 25449
2478 1 5 . 1 1 76 76 GLY N N 76 102.300 102.300 101.128 1.172 25449
2479 1 5 . 1 1 76 76 GLY C C 76 173.600 173.600 173.533 0.067 25449
2480 1 5 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.454 -0.154 25449
2481 1 5 . 1 1 76 76 GLY H H 76 8.500 8.500 8.695 -0.195 25449
2482 1 5 . 1 1 77 77 LYS N N 77 120.800 120.800 118.141 2.659 25449
2483 1 5 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.484 0.087 25449
2484 1 5 . 1 1 77 77 LYS C C 77 175.100 175.100 174.514 0.586 25449
2485 1 5 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.577 -0.376 25449
2486 1 5 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.262 -0.762 25449
2487 1 5 . 1 1 77 77 LYS H H 77 7.580 7.580 7.248 0.332 25449
2488 1 5 . 1 1 78 78 ARG N N 78 123.300 123.300 124.632 -1.332 25449
2489 1 5 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.370 0.110 25449
2490 1 5 . 1 1 78 78 ARG C C 78 176.600 176.600 175.805 0.795 25449
2491 1 5 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.752 -0.452 25449
2492 1 5 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.069 -0.769 25449
2493 1 5 . 1 1 78 78 ARG H H 78 8.580 8.580 8.485 0.095 25449
2494 1 5 . 1 1 79 79 ILE N N 79 120.100 120.100 123.126 -3.026 25449
2495 1 5 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.499 0.201 25449
2496 1 5 . 1 1 79 79 ILE C C 79 175.200 175.200 174.556 0.644 25449
2497 1 5 . 1 1 79 79 ILE CA C 79 60.000 60.000 58.964 1.036 25449
2498 1 5 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.104 0.296 25449
2499 1 5 . 1 1 79 79 ILE H H 79 8.450 8.450 8.389 0.061 25449
2500 1 5 . 1 1 80 80 HIS N N 80 119.900 119.900 126.263 -6.363 25449
2501 1 5 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.598 0.592 25449
2502 1 5 . 1 1 80 80 HIS C C 80 173.600 173.600 174.229 -0.629 25449
2503 1 5 . 1 1 80 80 HIS CA C 80 53.800 53.800 56.306 -2.506 25449
2504 1 5 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.315 0.985 25449
2505 1 5 . 1 1 80 80 HIS H H 80 8.580 8.580 8.616 -0.036 25449
2506 1 5 . 1 1 81 81 VAL N N 81 123.800 123.800 127.424 -3.624 25449
2507 1 5 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.433 0.847 25449
2508 1 5 . 1 1 81 81 VAL C C 81 173.600 173.600 174.700 -1.100 25449
2509 1 5 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.206 -1.006 25449
2510 1 5 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.554 2.446 25449
2511 1 5 . 1 1 81 81 VAL H H 81 8.650 8.650 8.175 0.475 25449
2512 1 5 . 1 1 82 82 ASN N N 82 121.100 121.100 124.493 -3.393 25449
2513 1 5 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.970 -0.220 25449
2514 1 5 . 1 1 82 82 ASN C C 82 174.000 174.000 173.015 0.985 25449
2515 1 5 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.673 0.227 25449
2516 1 5 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.314 0.586 25449
2517 1 5 . 1 1 82 82 ASN H H 82 8.890 8.890 8.582 0.308 25449
2518 1 5 . 1 1 83 83 TYR N N 83 120.400 120.400 119.852 0.548 25449
2519 1 5 . 1 1 83 83 TYR HA H 83 4.800 4.800 5.015 -0.215 25449
2520 1 5 . 1 1 83 83 TYR C C 83 177.100 177.100 174.673 2.427 25449
2521 1 5 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.900 1.500 25449
2522 1 5 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.404 -1.704 25449
2523 1 5 . 1 1 83 83 TYR H H 83 8.480 8.480 8.747 -0.267 25449
2524 1 5 . 1 1 84 84 SER N N 84 118.000 118.000 117.648 0.352 25449
2525 1 5 . 1 1 84 84 SER HA H 84 4.520 4.520 4.395 0.125 25449
2526 1 5 . 1 1 84 84 SER C C 84 174.100 174.100 172.518 1.582 25449
2527 1 5 . 1 1 84 84 SER CA C 84 57.700 57.700 56.541 1.159 25449
2528 1 5 . 1 1 84 84 SER CB C 84 64.300 64.300 65.949 -1.649 25449
2529 1 5 . 1 1 84 84 SER H H 84 9.040 9.040 7.666 1.374 25449
2530 1 5 . 1 1 85 85 LYS N N 85 125.300 125.300 120.966 4.334 25449
2531 1 5 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.364 0.076 25449
2532 1 5 . 1 1 85 85 LYS C C 85 175.600 175.600 175.497 0.103 25449
2533 1 5 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.786 1.514 25449
2534 1 5 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.254 0.446 25449
2535 1 5 . 1 1 85 85 LYS H H 85 8.410 8.410 8.149 0.261 25449
2536 1 6 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.247 -0.647 25449
2537 1 6 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.902 -0.492 25449
2538 1 6 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.983 -2.983 25449
2539 1 6 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.965 0.235 25449
2540 1 6 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.832 -0.932 25449
2541 1 6 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.420 0.250 25449
2542 1 6 . 1 1 0 0 HIS N N 0 121.200 121.200 121.260 -0.060 25449
2543 1 6 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.204 0.386 25449
2544 1 6 . 1 1 0 0 HIS C C 0 174.800 174.800 174.924 -0.124 25449
2545 1 6 . 1 1 0 0 HIS CA C 0 56.100 56.100 58.494 -2.394 25449
2546 1 6 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.229 0.671 25449
2547 1 6 . 1 1 0 0 HIS H H 0 8.730 8.730 8.821 -0.091 25449
2548 1 6 . 1 1 1 1 MET N N 1 121.800 121.800 121.413 0.387 25449
2549 1 6 . 1 1 1 1 MET HA H 1 4.370 4.370 4.705 -0.335 25449
2550 1 6 . 1 1 1 1 MET C C 1 176.300 176.300 174.342 1.958 25449
2551 1 6 . 1 1 1 1 MET CA C 1 55.700 55.700 55.055 0.645 25449
2552 1 6 . 1 1 1 1 MET CB C 1 32.800 32.800 32.695 0.105 25449
2553 1 6 . 1 1 1 1 MET H H 1 8.450 8.450 8.251 0.199 25449
2554 1 6 . 1 1 2 2 SER N N 2 116.700 116.700 116.271 0.429 25449
2555 1 6 . 1 1 2 2 SER HA H 2 4.370 4.370 4.675 -0.305 25449
2556 1 6 . 1 1 2 2 SER C C 2 174.200 174.200 172.963 1.237 25449
2557 1 6 . 1 1 2 2 SER CA C 2 58.400 58.400 58.325 0.075 25449
2558 1 6 . 1 1 2 2 SER CB C 2 63.800 63.800 65.105 -1.305 25449
2559 1 6 . 1 1 2 2 SER H H 2 8.410 8.410 7.829 0.581 25449
2560 1 6 . 1 1 3 3 ASP N N 3 122.100 122.100 125.313 -3.213 25449
2561 1 6 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.741 -0.191 25449
2562 1 6 . 1 1 3 3 ASP C C 3 176.100 176.100 175.389 0.711 25449
2563 1 6 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.497 1.003 25449
2564 1 6 . 1 1 3 3 ASP CB C 3 41.200 41.200 39.722 1.478 25449
2565 1 6 . 1 1 3 3 ASP H H 3 8.340 8.340 8.594 -0.254 25449
2566 1 6 . 1 1 4 4 ASN N N 4 119.100 119.100 117.878 1.222 25449
2567 1 6 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.815 -0.235 25449
2568 1 6 . 1 1 4 4 ASN C C 4 174.900 174.900 174.626 0.274 25449
2569 1 6 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.555 1.145 25449
2570 1 6 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.959 -1.058 25449
2571 1 6 . 1 1 4 4 ASN H H 4 8.420 8.420 7.507 0.913 25449
2572 1 6 . 1 1 5 5 ASN N N 5 118.400 118.400 118.435 -0.035 25449
2573 1 6 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.639 -0.099 25449
2574 1 6 . 1 1 5 5 ASN C C 5 173.900 173.900 174.728 -0.828 25449
2575 1 6 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.970 -0.770 25449
2576 1 6 . 1 1 5 5 ASN CB C 5 38.700 38.700 39.234 -0.534 25449
2577 1 6 . 1 1 5 5 ASN H H 5 8.340 8.340 8.597 -0.257 25449
2578 1 6 . 1 1 6 6 ALA N N 6 122.100 122.100 118.167 3.933 25449
2579 1 6 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.891 -1.151 25449
2580 1 6 . 1 1 6 6 ALA C C 6 177.000 177.000 176.265 0.735 25449
2581 1 6 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.026 0.273 25449
2582 1 6 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.856 1.144 25449
2583 1 6 . 1 1 6 6 ALA H H 6 7.590 7.590 7.469 0.121 25449
2584 1 6 . 1 1 7 7 THR N N 7 112.700 112.700 116.264 -3.564 25449
2585 1 6 . 1 1 7 7 THR HA H 7 4.390 4.390 4.451 -0.061 25449
2586 1 6 . 1 1 7 7 THR C C 7 171.700 171.700 174.996 -3.296 25449
2587 1 6 . 1 1 7 7 THR CA C 7 59.800 59.800 61.620 -1.820 25449
2588 1 6 . 1 1 7 7 THR CB C 7 70.600 70.600 70.286 0.314 25449
2589 1 6 . 1 1 7 7 THR H H 7 6.840 6.840 7.993 -1.153 25449
2590 1 6 . 1 1 8 8 ASP N N 8 114.600 114.600 122.858 -8.258 25449
2591 1 6 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.296 0.194 25449
2592 1 6 . 1 1 8 8 ASP C C 8 174.300 174.300 174.286 0.014 25449
2593 1 6 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.836 -2.336 25449
2594 1 6 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.192 -0.392 25449
2595 1 6 . 1 1 8 8 ASP H H 8 8.170 8.170 8.839 -0.669 25449
2596 1 6 . 1 1 9 9 ILE N N 9 117.800 117.800 118.737 -0.937 25449
2597 1 6 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.393 0.417 25449
2598 1 6 . 1 1 9 9 ILE C C 9 174.700 174.700 173.850 0.850 25449
2599 1 6 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.331 0.269 25449
2600 1 6 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.505 -0.205 25449
2601 1 6 . 1 1 9 9 ILE H H 9 7.890 7.890 7.500 0.390 25449
2602 1 6 . 1 1 10 10 LEU N N 10 125.300 125.300 127.567 -2.267 25449
2603 1 6 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.716 0.244 25449
2604 1 6 . 1 1 10 10 LEU C C 10 176.100 176.100 174.428 1.672 25449
2605 1 6 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.408 -1.508 25449
2606 1 6 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.147 -2.047 25449
2607 1 6 . 1 1 10 10 LEU H H 10 9.370 9.370 8.178 1.192 25449
2608 1 6 . 1 1 11 11 PHE N N 11 124.300 124.300 127.295 -2.995 25449
2609 1 6 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.756 -0.086 25449
2610 1 6 . 1 1 11 11 PHE C C 11 173.400 173.400 173.492 -0.092 25449
2611 1 6 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.149 0.851 25449
2612 1 6 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.656 0.044 25449
2613 1 6 . 1 1 11 11 PHE H H 11 9.310 9.310 8.603 0.707 25449
2614 1 6 . 1 1 12 12 VAL N N 12 128.300 128.300 128.733 -0.433 25449
2615 1 6 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.161 0.259 25449
2616 1 6 . 1 1 12 12 VAL C C 12 173.900 173.900 175.017 -1.117 25449
2617 1 6 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.696 -1.496 25449
2618 1 6 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.616 1.484 25449
2619 1 6 . 1 1 12 12 VAL H H 12 8.380 8.380 7.870 0.510 25449
2620 1 6 . 1 1 13 13 GLY N N 13 111.800 111.800 113.714 -1.914 25449
2621 1 6 . 1 1 13 13 GLY C C 13 173.800 173.800 173.172 0.628 25449
2622 1 6 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.682 -0.282 25449
2623 1 6 . 1 1 13 13 GLY H H 13 9.150 9.150 7.736 1.414 25449
2624 1 6 . 1 1 14 14 GLY N N 14 107.600 107.600 111.060 -3.460 25449
2625 1 6 . 1 1 14 14 GLY C C 14 175.400 175.400 173.554 1.846 25449
2626 1 6 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.798 1.002 25449
2627 1 6 . 1 1 14 14 GLY H H 14 8.260 8.260 8.089 0.171 25449
2628 1 6 . 1 1 15 15 ILE N N 15 111.100 111.100 118.164 -7.064 25449
2629 1 6 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.323 -0.283 25449
2630 1 6 . 1 1 15 15 ILE C C 15 175.500 175.500 175.095 0.405 25449
2631 1 6 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.929 1.571 25449
2632 1 6 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.751 -1.250 25449
2633 1 6 . 1 1 15 15 ILE H H 15 6.930 6.930 7.136 -0.206 25449
2634 1 6 . 1 1 16 16 ASP N N 16 122.800 122.800 122.198 0.602 25449
2635 1 6 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.532 0.048 25449
2636 1 6 . 1 1 16 16 ASP C C 16 177.200 177.200 176.735 0.465 25449
2637 1 6 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.933 -0.233 25449
2638 1 6 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.516 -0.016 25449
2639 1 6 . 1 1 16 16 ASP H H 16 8.320 8.320 8.635 -0.315 25449
2640 1 6 . 1 1 17 17 GLU N N 17 119.600 119.600 119.391 0.209 25449
2641 1 6 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.191 -0.051 25449
2642 1 6 . 1 1 17 17 GLU C C 17 176.800 176.800 176.127 0.673 25449
2643 1 6 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.174 1.426 25449
2644 1 6 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.867 0.933 25449
2645 1 6 . 1 1 17 17 GLU H H 17 8.830 8.830 8.779 0.051 25449
2646 1 6 . 1 1 18 18 THR N N 18 111.300 111.300 114.444 -3.144 25449
2647 1 6 . 1 1 18 18 THR HA H 18 4.250 4.250 4.562 -0.312 25449
2648 1 6 . 1 1 18 18 THR C C 18 175.200 175.200 174.454 0.746 25449
2649 1 6 . 1 1 18 18 THR CA C 18 62.600 62.600 61.212 1.388 25449
2650 1 6 . 1 1 18 18 THR CB C 18 69.600 69.600 69.594 0.006 25449
2651 1 6 . 1 1 18 18 THR H H 18 8.740 8.740 7.659 1.081 25449
2652 1 6 . 1 1 19 19 ILE N N 19 123.300 123.300 119.747 3.553 25449
2653 1 6 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.327 -0.447 25449
2654 1 6 . 1 1 19 19 ILE C C 19 174.300 174.300 174.533 -0.233 25449
2655 1 6 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.730 1.170 25449
2656 1 6 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.314 -2.714 25449
2657 1 6 . 1 1 19 19 ILE H H 19 7.220 7.220 7.386 -0.166 25449
2658 1 6 . 1 1 20 20 ASP N N 20 125.600 125.600 123.309 2.291 25449
2659 1 6 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.797 -0.157 25449
2660 1 6 . 1 1 20 20 ASP C C 20 175.300 175.300 176.969 -1.669 25449
2661 1 6 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.216 -1.716 25449
2662 1 6 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.633 -0.633 25449
2663 1 6 . 1 1 20 20 ASP H H 20 7.790 7.790 8.210 -0.420 25449
2664 1 6 . 1 1 21 21 GLU N N 21 118.400 118.400 121.796 -3.396 25449
2665 1 6 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.976 -0.346 25449
2666 1 6 . 1 1 21 21 GLU C C 21 177.900 177.900 178.067 -0.167 25449
2667 1 6 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.949 0.951 25449
2668 1 6 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.639 -0.439 25449
2669 1 6 . 1 1 21 21 GLU H H 21 9.220 9.220 8.858 0.362 25449
2670 1 6 . 1 1 22 22 LYS N N 22 119.700 119.700 117.314 2.386 25449
2671 1 6 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.207 -0.147 25449
2672 1 6 . 1 1 22 22 LYS C C 22 178.500 178.500 178.650 -0.150 25449
2673 1 6 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.024 0.276 25449
2674 1 6 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.452 0.348 25449
2675 1 6 . 1 1 22 22 LYS H H 22 8.040 8.040 8.447 -0.407 25449
2676 1 6 . 1 1 23 23 SER N N 23 114.900 114.900 116.561 -1.661 25449
2677 1 6 . 1 1 23 23 SER HA H 23 4.300 4.300 4.298 0.002 25449
2678 1 6 . 1 1 23 23 SER C C 23 177.600 177.600 176.456 1.144 25449
2679 1 6 . 1 1 23 23 SER CA C 23 61.800 61.800 61.323 0.477 25449
2680 1 6 . 1 1 23 23 SER CB C 23 62.900 62.900 62.427 0.473 25449
2681 1 6 . 1 1 23 23 SER H H 23 8.240 8.240 8.213 0.027 25449
2682 1 6 . 1 1 24 24 LEU N N 24 118.800 118.800 120.573 -1.773 25449
2683 1 6 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.288 -0.108 25449
2684 1 6 . 1 1 24 24 LEU C C 24 178.700 178.700 178.631 0.069 25449
2685 1 6 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.435 0.865 25449
2686 1 6 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.843 0.257 25449
2687 1 6 . 1 1 24 24 LEU H H 24 7.750 7.750 7.457 0.293 25449
2688 1 6 . 1 1 25 25 TYR N N 25 123.200 123.200 121.552 1.648 25449
2689 1 6 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.131 -0.501 25449
2690 1 6 . 1 1 25 25 TYR C C 25 178.600 178.600 177.205 1.395 25449
2691 1 6 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.365 2.835 25449
2692 1 6 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.593 -0.393 25449
2693 1 6 . 1 1 25 25 TYR H H 25 8.970 8.970 7.357 1.613 25449
2694 1 6 . 1 1 26 26 ASP N N 26 119.800 119.800 119.344 0.456 25449
2695 1 6 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.514 -0.244 25449
2696 1 6 . 1 1 26 26 ASP C C 26 177.900 177.900 178.880 -0.980 25449
2697 1 6 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.809 -0.109 25449
2698 1 6 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.929 -0.929 25449
2699 1 6 . 1 1 26 26 ASP H H 26 8.510 8.510 7.790 0.720 25449
2700 1 6 . 1 1 27 27 ILE N N 27 114.700 114.700 120.172 -5.472 25449
2701 1 6 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.913 0.047 25449
2702 1 6 . 1 1 27 27 ILE C C 27 177.700 177.700 177.963 -0.263 25449
2703 1 6 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.838 -1.538 25449
2704 1 6 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.344 0.656 25449
2705 1 6 . 1 1 27 27 ILE H H 27 7.320 7.320 7.554 -0.234 25449
2706 1 6 . 1 1 28 28 PHE N N 28 116.900 116.900 117.129 -0.229 25449
2707 1 6 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.620 -0.250 25449
2708 1 6 . 1 1 28 28 PHE C C 28 179.900 179.900 176.773 3.127 25449
2709 1 6 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.703 3.597 25449
2710 1 6 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.869 -1.569 25449
2711 1 6 . 1 1 28 28 PHE H H 28 8.650 8.650 8.139 0.511 25449
2712 1 6 . 1 1 29 29 SER N N 29 120.100 120.100 113.346 6.754 25449
2713 1 6 . 1 1 29 29 SER HA H 29 4.410 4.410 4.727 -0.317 25449
2714 1 6 . 1 1 29 29 SER C C 29 175.600 175.600 175.180 0.420 25449
2715 1 6 . 1 1 29 29 SER CA C 29 61.300 61.300 59.203 2.097 25449
2716 1 6 . 1 1 29 29 SER CB C 29 62.200 62.200 62.478 -0.278 25449
2717 1 6 . 1 1 29 29 SER H H 29 8.880 8.880 7.800 1.080 25449
2718 1 6 . 1 1 30 30 SER N N 30 116.200 116.200 117.303 -1.103 25449
2719 1 6 . 1 1 30 30 SER HA H 30 3.940 3.940 4.296 -0.356 25449
2720 1 6 . 1 1 30 30 SER C C 30 174.900 174.900 175.871 -0.971 25449
2721 1 6 . 1 1 30 30 SER CA C 30 60.400 60.400 60.750 -0.350 25449
2722 1 6 . 1 1 30 30 SER CB C 30 62.400 62.400 63.225 -0.825 25449
2723 1 6 . 1 1 30 30 SER H H 30 7.270 7.270 8.040 -0.770 25449
2724 1 6 . 1 1 31 31 PHE N N 31 115.600 115.600 121.135 -5.535 25449
2725 1 6 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.626 -0.346 25449
2726 1 6 . 1 1 31 31 PHE C C 31 174.100 174.100 176.216 -2.116 25449
2727 1 6 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.918 -0.018 25449
2728 1 6 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.446 -1.146 25449
2729 1 6 . 1 1 31 31 PHE H H 31 6.980 6.980 7.882 -0.902 25449
2730 1 6 . 1 1 32 32 GLY N N 32 104.900 104.900 107.543 -2.643 25449
2731 1 6 . 1 1 32 32 GLY C C 32 171.600 171.600 172.889 -1.289 25449
2732 1 6 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.368 -0.068 25449
2733 1 6 . 1 1 32 32 GLY H H 32 7.300 7.300 7.687 -0.387 25449
2734 1 6 . 1 1 33 33 ASP N N 33 116.100 116.100 126.997 -10.897 25449
2735 1 6 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.539 -0.029 25449
2736 1 6 . 1 1 33 33 ASP C C 33 176.800 176.800 174.489 2.311 25449
2737 1 6 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.750 -0.350 25449
2738 1 6 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.087 -1.486 25449
2739 1 6 . 1 1 33 33 ASP H H 33 8.120 8.120 8.466 -0.346 25449
2740 1 6 . 1 1 34 34 ILE N N 34 126.400 126.400 119.144 7.256 25449
2741 1 6 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.148 -0.298 25449
2742 1 6 . 1 1 34 34 ILE C C 34 176.200 176.200 176.052 0.148 25449
2743 1 6 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.035 2.165 25449
2744 1 6 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.671 1.229 25449
2745 1 6 . 1 1 34 34 ILE H H 34 8.670 8.670 8.033 0.637 25449
2746 1 6 . 1 1 35 35 ARG N N 35 128.900 128.900 126.740 2.160 25449
2747 1 6 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.184 -0.024 25449
2748 1 6 . 1 1 35 35 ARG C C 35 175.600 175.600 176.275 -0.675 25449
2749 1 6 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.352 -0.852 25449
2750 1 6 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.170 0.530 25449
2751 1 6 . 1 1 35 35 ARG H H 35 9.320 9.320 8.365 0.955 25449
2752 1 6 . 1 1 36 36 ASN N N 36 114.300 114.300 114.589 -0.289 25449
2753 1 6 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.824 -0.114 25449
2754 1 6 . 1 1 36 36 ASN C C 36 172.000 172.000 172.860 -0.860 25449
2755 1 6 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.053 0.446 25449
2756 1 6 . 1 1 36 36 ASN CB C 36 42.600 42.600 41.066 1.534 25449
2757 1 6 . 1 1 36 36 ASN H H 36 7.620 7.620 8.095 -0.475 25449
2758 1 6 . 1 1 37 37 ILE N N 37 122.700 122.700 122.797 -0.097 25449
2759 1 6 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.330 0.440 25449
2760 1 6 . 1 1 37 37 ILE C C 37 173.300 173.300 174.568 -1.268 25449
2761 1 6 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.397 -0.797 25449
2762 1 6 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.716 0.484 25449
2763 1 6 . 1 1 37 37 ILE H H 37 8.030 8.030 8.513 -0.483 25449
2764 1 6 . 1 1 38 38 GLU N N 38 126.700 126.700 129.473 -2.773 25449
2765 1 6 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.526 0.134 25449
2766 1 6 . 1 1 38 38 GLU C C 38 174.800 174.800 174.566 0.234 25449
2767 1 6 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.727 -1.327 25449
2768 1 6 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.472 2.928 25449
2769 1 6 . 1 1 38 38 GLU H H 38 8.870 8.870 8.628 0.242 25449
2770 1 6 . 1 1 39 39 VAL N N 39 126.400 126.400 126.404 -0.004 25449
2771 1 6 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.000 -0.300 25449
2772 1 6 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.072 -0.472 25449
2773 1 6 . 1 1 39 39 VAL H H 39 8.970 8.970 8.288 0.682 25449
2774 1 6 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.400 -0.170 25449
2775 1 6 . 1 1 40 40 PRO C C 40 176.300 176.300 175.270 1.030 25449
2776 1 6 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.657 0.643 25449
2777 1 6 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.273 0.227 25449
2778 1 6 . 1 1 41 41 LEU N N 41 120.700 120.700 122.651 -1.951 25449
2779 1 6 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.664 -0.144 25449
2780 1 6 . 1 1 41 41 LEU C C 41 177.900 177.900 175.627 2.273 25449
2781 1 6 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.738 -0.638 25449
2782 1 6 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.698 -1.398 25449
2783 1 6 . 1 1 41 41 LEU H H 41 8.520 8.520 8.171 0.349 25449
2784 1 6 . 1 1 42 42 ASN N N 42 121.400 121.400 121.327 0.073 25449
2785 1 6 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.936 -0.376 25449
2786 1 6 . 1 1 42 42 ASN C C 42 176.700 176.700 176.286 0.414 25449
2787 1 6 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.260 0.640 25449
2788 1 6 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.966 -0.966 25449
2789 1 6 . 1 1 42 42 ASN H H 42 8.740 8.740 8.424 0.316 25449
2790 1 6 . 1 1 43 43 MET N N 43 125.500 125.500 124.891 0.609 25449
2791 1 6 . 1 1 43 43 MET HA H 43 4.210 4.210 4.440 -0.230 25449
2792 1 6 . 1 1 43 43 MET C C 43 177.200 177.200 176.851 0.349 25449
2793 1 6 . 1 1 43 43 MET CA C 43 57.100 57.100 57.286 -0.186 25449
2794 1 6 . 1 1 43 43 MET CB C 43 31.600 31.600 32.281 -0.681 25449
2795 1 6 . 1 1 43 43 MET H H 43 9.080 9.080 9.039 0.041 25449
2796 1 6 . 1 1 44 44 THR N N 44 114.400 114.400 113.960 0.440 25449
2797 1 6 . 1 1 44 44 THR HA H 44 4.160 4.160 4.346 -0.186 25449
2798 1 6 . 1 1 44 44 THR C C 44 175.900 175.900 175.941 -0.041 25449
2799 1 6 . 1 1 44 44 THR CA C 44 65.200 65.200 64.693 0.507 25449
2800 1 6 . 1 1 44 44 THR CB C 44 68.700 68.700 69.262 -0.562 25449
2801 1 6 . 1 1 44 44 THR H H 44 8.590 8.590 7.926 0.664 25449
2802 1 6 . 1 1 45 45 THR N N 45 110.300 110.300 114.700 -4.400 25449
2803 1 6 . 1 1 45 45 THR HA H 45 4.160 4.160 4.390 -0.230 25449
2804 1 6 . 1 1 45 45 THR C C 45 175.500 175.500 173.263 2.237 25449
2805 1 6 . 1 1 45 45 THR CA C 45 62.000 62.000 61.310 0.690 25449
2806 1 6 . 1 1 45 45 THR CB C 45 70.000 70.000 69.617 0.383 25449
2807 1 6 . 1 1 45 45 THR H H 45 7.610 7.610 7.517 0.093 25449
2808 1 6 . 1 1 46 46 LYS N N 46 115.700 115.700 121.153 -5.453 25449
2809 1 6 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.944 -0.224 25449
2810 1 6 . 1 1 46 46 LYS C C 46 174.600 174.600 173.922 0.678 25449
2811 1 6 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.323 0.277 25449
2812 1 6 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.614 -2.714 25449
2813 1 6 . 1 1 46 46 LYS H H 46 8.460 8.460 8.113 0.347 25449
2814 1 6 . 1 1 47 47 LYS N N 47 117.100 117.100 120.557 -3.457 25449
2815 1 6 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.546 0.134 25449
2816 1 6 . 1 1 47 47 LYS C C 47 176.300 176.300 176.287 0.013 25449
2817 1 6 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.825 -0.825 25449
2818 1 6 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.330 0.770 25449
2819 1 6 . 1 1 47 47 LYS H H 47 7.610 7.610 7.889 -0.279 25449
2820 1 6 . 1 1 48 48 ASN N N 48 117.700 117.700 121.116 -3.416 25449
2821 1 6 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.915 -0.215 25449
2822 1 6 . 1 1 48 48 ASN C C 48 174.000 174.000 175.579 -1.579 25449
2823 1 6 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.664 0.936 25449
2824 1 6 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.289 -1.589 25449
2825 1 6 . 1 1 48 48 ASN H H 48 8.740 8.740 8.881 -0.141 25449
2826 1 6 . 1 1 49 49 ARG N N 49 116.800 116.800 116.895 -0.095 25449
2827 1 6 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.021 0.329 25449
2828 1 6 . 1 1 49 49 ARG C C 49 177.500 177.500 176.451 1.049 25449
2829 1 6 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.565 -0.965 25449
2830 1 6 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.142 4.458 25449
2831 1 6 . 1 1 49 49 ARG H H 49 8.530 8.530 8.417 0.113 25449
2832 1 6 . 1 1 50 50 GLY N N 50 108.300 108.300 106.145 2.155 25449
2833 1 6 . 1 1 50 50 GLY C C 50 173.500 173.500 173.481 0.019 25449
2834 1 6 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.325 0.474 25449
2835 1 6 . 1 1 50 50 GLY H H 50 8.900 8.900 8.820 0.080 25449
2836 1 6 . 1 1 51 51 PHE N N 51 113.900 113.900 115.848 -1.948 25449
2837 1 6 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.562 0.908 25449
2838 1 6 . 1 1 51 51 PHE C C 51 172.000 172.000 171.914 0.086 25449
2839 1 6 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.045 -1.045 25449
2840 1 6 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.370 2.329 25449
2841 1 6 . 1 1 51 51 PHE H H 51 6.910 6.910 7.384 -0.474 25449
2842 1 6 . 1 1 52 52 ALA N N 52 120.500 120.500 125.128 -4.628 25449
2843 1 6 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.584 0.046 25449
2844 1 6 . 1 1 52 52 ALA C C 52 173.900 173.900 174.737 -0.837 25449
2845 1 6 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.708 -0.508 25449
2846 1 6 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.003 3.098 25449
2847 1 6 . 1 1 52 52 ALA H H 52 8.810 8.810 7.121 1.689 25449
2848 1 6 . 1 1 53 53 PHE N N 53 115.000 115.000 121.088 -6.088 25449
2849 1 6 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.910 0.750 25449
2850 1 6 . 1 1 53 53 PHE C C 53 175.600 175.600 175.262 0.338 25449
2851 1 6 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.893 -1.693 25449
2852 1 6 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.250 1.150 25449
2853 1 6 . 1 1 53 53 PHE H H 53 8.730 8.730 8.451 0.279 25449
2854 1 6 . 1 1 54 54 VAL N N 54 122.300 122.300 121.637 0.663 25449
2855 1 6 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.295 -0.195 25449
2856 1 6 . 1 1 54 54 VAL C C 54 173.000 173.000 173.915 -0.915 25449
2857 1 6 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.546 0.154 25449
2858 1 6 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.730 0.670 25449
2859 1 6 . 1 1 54 54 VAL H H 54 9.060 9.060 8.333 0.727 25449
2860 1 6 . 1 1 55 55 GLU N N 55 127.300 127.300 126.425 0.875 25449
2861 1 6 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.713 0.447 25449
2862 1 6 . 1 1 55 55 GLU C C 55 175.900 175.900 175.493 0.407 25449
2863 1 6 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.130 -1.130 25449
2864 1 6 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.930 -1.230 25449
2865 1 6 . 1 1 55 55 GLU H H 55 8.860 8.860 8.108 0.752 25449
2866 1 6 . 1 1 56 56 TYR N N 56 127.500 127.500 124.042 3.458 25449
2867 1 6 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.517 0.003 25449
2868 1 6 . 1 1 56 56 TYR C C 56 175.000 175.000 174.996 0.004 25449
2869 1 6 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.722 0.978 25449
2870 1 6 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.769 -0.569 25449
2871 1 6 . 1 1 56 56 TYR H H 56 9.470 9.470 8.132 1.338 25449
2872 1 6 . 1 1 57 57 VAL N N 57 119.200 119.200 117.669 1.531 25449
2873 1 6 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.962 -0.392 25449
2874 1 6 . 1 1 57 57 VAL C C 57 177.000 177.000 176.051 0.949 25449
2875 1 6 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.042 2.258 25449
2876 1 6 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.398 -0.398 25449
2877 1 6 . 1 1 57 57 VAL H H 57 7.800 7.800 7.964 -0.164 25449
2878 1 6 . 1 1 58 58 GLU N N 58 118.500 118.500 116.986 1.514 25449
2879 1 6 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.615 0.165 25449
2880 1 6 . 1 1 58 58 GLU C C 58 177.500 177.500 177.722 -0.222 25449
2881 1 6 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.694 -1.894 25449
2882 1 6 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.102 -0.602 25449
2883 1 6 . 1 1 58 58 GLU H H 58 9.530 9.530 8.078 1.452 25449
2884 1 6 . 1 1 59 59 VAL N N 59 125.200 125.200 121.396 3.804 25449
2885 1 6 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.043 -0.513 25449
2886 1 6 . 1 1 59 59 VAL C C 59 177.600 177.600 176.938 0.662 25449
2887 1 6 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.014 1.086 25449
2888 1 6 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.462 -0.763 25449
2889 1 6 . 1 1 59 59 VAL H H 59 8.650 8.650 8.573 0.077 25449
2890 1 6 . 1 1 60 60 ASP N N 60 118.500 118.500 121.765 -3.265 25449
2891 1 6 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.416 -0.196 25449
2892 1 6 . 1 1 60 60 ASP C C 60 178.300 178.300 177.956 0.344 25449
2893 1 6 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.707 -0.107 25449
2894 1 6 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.031 0.469 25449
2895 1 6 . 1 1 60 60 ASP H H 60 8.970 8.970 8.730 0.240 25449
2896 1 6 . 1 1 61 61 ASP N N 61 119.900 119.900 120.619 -0.719 25449
2897 1 6 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.580 -0.220 25449
2898 1 6 . 1 1 61 61 ASP C C 61 176.800 176.800 178.192 -1.392 25449
2899 1 6 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.200 -0.300 25449
2900 1 6 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.724 -0.923 25449
2901 1 6 . 1 1 61 61 ASP H H 61 6.920 6.920 8.537 -1.617 25449
2902 1 6 . 1 1 62 62 ALA N N 62 122.700 122.700 122.428 0.272 25449
2903 1 6 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.516 -0.136 25449
2904 1 6 . 1 1 62 62 ALA C C 62 171.600 171.600 179.357 -7.757 25449
2905 1 6 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.033 0.067 25449
2906 1 6 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.342 -0.142 25449
2907 1 6 . 1 1 62 62 ALA H H 62 6.910 6.910 7.700 -0.790 25449
2908 1 6 . 1 1 63 63 LYS N N 63 116.200 116.200 118.486 -2.286 25449
2909 1 6 . 1 1 63 63 LYS HA H 63 4.190 4.190 4.054 0.136 25449
2910 1 6 . 1 1 63 63 LYS C C 63 179.200 179.200 179.280 -0.080 25449
2911 1 6 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.408 -0.108 25449
2912 1 6 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.032 0.568 25449
2913 1 6 . 1 1 63 63 LYS H H 63 8.020 8.020 8.014 0.006 25449
2914 1 6 . 1 1 64 64 HIS N N 64 117.400 117.400 117.441 -0.041 25449
2915 1 6 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.427 -0.117 25449
2916 1 6 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.136 -1.136 25449
2917 1 6 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.598 -0.498 25449
2918 1 6 . 1 1 64 64 HIS H H 64 7.460 7.460 7.794 -0.334 25449
2919 1 6 . 1 1 65 65 ALA N N 65 123.700 123.700 122.264 1.436 25449
2920 1 6 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.025 -1.855 25449
2921 1 6 . 1 1 65 65 ALA C C 65 178.700 178.700 179.442 -0.742 25449
2922 1 6 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.486 0.314 25449
2923 1 6 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.598 0.802 25449
2924 1 6 . 1 1 65 65 ALA H H 65 8.190 8.190 7.632 0.558 25449
2925 1 6 . 1 1 66 66 LEU N N 66 119.800 119.800 119.906 -0.106 25449
2926 1 6 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.002 -0.572 25449
2927 1 6 . 1 1 66 66 LEU C C 66 178.700 178.700 178.940 -0.240 25449
2928 1 6 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.584 2.116 25449
2929 1 6 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.738 -0.638 25449
2930 1 6 . 1 1 66 66 LEU H H 66 8.340 8.340 7.513 0.827 25449
2931 1 6 . 1 1 67 67 TYR N N 67 116.200 116.200 114.581 1.619 25449
2932 1 6 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.327 -0.317 25449
2933 1 6 . 1 1 67 67 TYR C C 67 177.700 177.700 177.105 0.595 25449
2934 1 6 . 1 1 67 67 TYR CA C 67 60.500 60.500 60.979 -0.479 25449
2935 1 6 . 1 1 67 67 TYR CB C 67 38.100 38.100 37.971 0.129 25449
2936 1 6 . 1 1 67 67 TYR H H 67 7.760 7.760 7.749 0.011 25449
2937 1 6 . 1 1 68 68 ASN N N 68 113.900 113.900 115.891 -1.991 25449
2938 1 6 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.731 -0.301 25449
2939 1 6 . 1 1 68 68 ASN C C 68 176.400 176.400 175.771 0.629 25449
2940 1 6 . 1 1 68 68 ASN CA C 68 55.600 55.600 53.709 1.891 25449
2941 1 6 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.808 2.592 25449
2942 1 6 . 1 1 68 68 ASN H H 68 7.480 7.480 7.652 -0.172 25449
2943 1 6 . 1 1 69 69 MET N N 69 114.900 114.900 116.575 -1.675 25449
2944 1 6 . 1 1 69 69 MET HA H 69 4.760 4.760 4.552 0.208 25449
2945 1 6 . 1 1 69 69 MET C C 69 177.000 177.000 176.964 0.036 25449
2946 1 6 . 1 1 69 69 MET CA C 69 53.500 53.500 54.380 -0.881 25449
2947 1 6 . 1 1 69 69 MET CB C 69 31.100 31.100 32.626 -1.526 25449
2948 1 6 . 1 1 69 69 MET H H 69 8.310 8.310 7.521 0.789 25449
2949 1 6 . 1 1 70 70 ASN N N 70 117.700 117.700 119.372 -1.672 25449
2950 1 6 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.582 -0.212 25449
2951 1 6 . 1 1 70 70 ASN C C 70 176.400 176.400 175.530 0.870 25449
2952 1 6 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.097 1.003 25449
2953 1 6 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.666 1.034 25449
2954 1 6 . 1 1 70 70 ASN H H 70 7.660 7.660 8.263 -0.603 25449
2955 1 6 . 1 1 71 71 ASN N N 71 121.500 121.500 116.763 4.737 25449
2956 1 6 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.715 -0.205 25449
2957 1 6 . 1 1 71 71 ASN C C 71 173.300 173.300 174.366 -1.066 25449
2958 1 6 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.979 2.821 25449
2959 1 6 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.127 0.073 25449
2960 1 6 . 1 1 71 71 ASN H H 71 8.600 8.600 8.221 0.379 25449
2961 1 6 . 1 1 72 72 PHE N N 72 122.300 122.300 121.643 0.657 25449
2962 1 6 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.604 -0.414 25449
2963 1 6 . 1 1 72 72 PHE C C 72 174.100 174.100 173.634 0.466 25449
2964 1 6 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.761 1.939 25449
2965 1 6 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.442 -0.142 25449
2966 1 6 . 1 1 72 72 PHE H H 72 7.870 7.870 7.474 0.396 25449
2967 1 6 . 1 1 73 73 GLU N N 73 126.100 126.100 128.862 -2.762 25449
2968 1 6 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.530 -0.300 25449
2969 1 6 . 1 1 73 73 GLU C C 73 173.000 173.000 174.351 -1.351 25449
2970 1 6 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.632 0.968 25449
2971 1 6 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.310 -1.010 25449
2972 1 6 . 1 1 73 73 GLU H H 73 7.690 7.690 8.263 -0.573 25449
2973 1 6 . 1 1 74 74 LEU N N 74 128.900 128.900 127.427 1.473 25449
2974 1 6 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.248 0.272 25449
2975 1 6 . 1 1 74 74 LEU C C 74 175.500 175.500 176.010 -0.510 25449
2976 1 6 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.645 -1.345 25449
2977 1 6 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.944 1.656 25449
2978 1 6 . 1 1 74 74 LEU H H 74 8.620 8.620 8.008 0.612 25449
2979 1 6 . 1 1 75 75 ASN N N 75 126.800 126.800 121.846 4.954 25449
2980 1 6 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.469 -0.259 25449
2981 1 6 . 1 1 75 75 ASN C C 75 175.600 175.600 175.017 0.583 25449
2982 1 6 . 1 1 75 75 ASN CA C 75 53.900 53.900 54.007 -0.107 25449
2983 1 6 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.068 -0.168 25449
2984 1 6 . 1 1 75 75 ASN H H 75 9.520 9.520 9.051 0.469 25449
2985 1 6 . 1 1 76 76 GLY N N 76 102.300 102.300 103.151 -0.851 25449
2986 1 6 . 1 1 76 76 GLY C C 76 173.600 173.600 173.278 0.322 25449
2987 1 6 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.550 -0.250 25449
2988 1 6 . 1 1 76 76 GLY H H 76 8.500 8.500 8.444 0.056 25449
2989 1 6 . 1 1 77 77 LYS N N 77 120.800 120.800 118.722 2.078 25449
2990 1 6 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.430 0.140 25449
2991 1 6 . 1 1 77 77 LYS C C 77 175.100 175.100 174.936 0.164 25449
2992 1 6 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.507 -0.307 25449
2993 1 6 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.072 -0.572 25449
2994 1 6 . 1 1 77 77 LYS H H 77 7.580 7.580 7.200 0.380 25449
2995 1 6 . 1 1 78 78 ARG N N 78 123.300 123.300 123.533 -0.233 25449
2996 1 6 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.342 0.138 25449
2997 1 6 . 1 1 78 78 ARG C C 78 176.600 176.600 175.667 0.933 25449
2998 1 6 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.608 0.692 25449
2999 1 6 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.282 0.018 25449
3000 1 6 . 1 1 78 78 ARG H H 78 8.580 8.580 8.445 0.135 25449
3001 1 6 . 1 1 79 79 ILE N N 79 120.100 120.100 121.768 -1.668 25449
3002 1 6 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.388 0.312 25449
3003 1 6 . 1 1 79 79 ILE C C 79 175.200 175.200 175.439 -0.239 25449
3004 1 6 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.091 -0.091 25449
3005 1 6 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.226 0.174 25449
3006 1 6 . 1 1 79 79 ILE H H 79 8.450 8.450 8.423 0.027 25449
3007 1 6 . 1 1 80 80 HIS N N 80 119.900 119.900 126.079 -6.179 25449
3008 1 6 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.608 0.582 25449
3009 1 6 . 1 1 80 80 HIS C C 80 173.600 173.600 174.482 -0.882 25449
3010 1 6 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.279 -1.479 25449
3011 1 6 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.248 1.052 25449
3012 1 6 . 1 1 80 80 HIS H H 80 8.580 8.580 7.921 0.659 25449
3013 1 6 . 1 1 81 81 VAL N N 81 123.800 123.800 126.014 -2.214 25449
3014 1 6 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.830 0.450 25449
3015 1 6 . 1 1 81 81 VAL C C 81 173.600 173.600 175.384 -1.784 25449
3016 1 6 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.070 -0.870 25449
3017 1 6 . 1 1 81 81 VAL CB C 81 35.000 35.000 31.957 3.043 25449
3018 1 6 . 1 1 81 81 VAL H H 81 8.650 8.650 8.581 0.069 25449
3019 1 6 . 1 1 82 82 ASN N N 82 121.100 121.100 123.750 -2.650 25449
3020 1 6 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.984 -0.234 25449
3021 1 6 . 1 1 82 82 ASN C C 82 174.000 174.000 173.472 0.528 25449
3022 1 6 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.494 0.406 25449
3023 1 6 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.800 2.100 25449
3024 1 6 . 1 1 82 82 ASN H H 82 8.890 8.890 8.030 0.860 25449
3025 1 6 . 1 1 83 83 TYR N N 83 120.400 120.400 120.341 0.059 25449
3026 1 6 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.604 0.196 25449
3027 1 6 . 1 1 83 83 TYR C C 83 177.100 177.100 175.122 1.978 25449
3028 1 6 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.939 0.461 25449
3029 1 6 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.768 -1.068 25449
3030 1 6 . 1 1 83 83 TYR H H 83 8.480 8.480 7.848 0.632 25449
3031 1 6 . 1 1 84 84 SER N N 84 118.000 118.000 116.131 1.869 25449
3032 1 6 . 1 1 84 84 SER HA H 84 4.520 4.520 4.273 0.247 25449
3033 1 6 . 1 1 84 84 SER C C 84 174.100 174.100 172.215 1.885 25449
3034 1 6 . 1 1 84 84 SER CA C 84 57.700 57.700 56.752 0.948 25449
3035 1 6 . 1 1 84 84 SER CB C 84 64.300 64.300 65.041 -0.741 25449
3036 1 6 . 1 1 84 84 SER H H 84 9.040 9.040 7.230 1.810 25449
3037 1 6 . 1 1 85 85 LYS N N 85 125.300 125.300 121.007 4.293 25449
3038 1 6 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.360 0.080 25449
3039 1 6 . 1 1 85 85 LYS C C 85 175.600 175.600 175.789 -0.189 25449
3040 1 6 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.262 1.038 25449
3041 1 6 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.460 0.240 25449
3042 1 6 . 1 1 85 85 LYS H H 85 8.410 8.410 8.204 0.206 25449
3043 1 7 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.117 -1.517 25449
3044 1 7 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.614 -0.204 25449
3045 1 7 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.929 -1.929 25449
3046 1 7 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.138 0.062 25449
3047 1 7 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.522 -0.622 25449
3048 1 7 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.439 0.231 25449
3049 1 7 . 1 1 0 0 HIS N N 0 121.200 121.200 122.589 -1.389 25449
3050 1 7 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.455 0.135 25449
3051 1 7 . 1 1 0 0 HIS C C 0 174.800 174.800 173.797 1.003 25449
3052 1 7 . 1 1 0 0 HIS CA C 0 56.100 56.100 57.060 -0.960 25449
3053 1 7 . 1 1 0 0 HIS CB C 0 29.900 29.900 28.731 1.169 25449
3054 1 7 . 1 1 0 0 HIS H H 0 8.730 8.730 8.656 0.074 25449
3055 1 7 . 1 1 1 1 MET N N 1 121.800 121.800 122.447 -0.647 25449
3056 1 7 . 1 1 1 1 MET HA H 1 4.370 4.370 4.589 -0.219 25449
3057 1 7 . 1 1 1 1 MET C C 1 176.300 176.300 175.759 0.541 25449
3058 1 7 . 1 1 1 1 MET CA C 1 55.700 55.700 54.341 1.359 25449
3059 1 7 . 1 1 1 1 MET CB C 1 32.800 32.800 33.420 -0.620 25449
3060 1 7 . 1 1 1 1 MET H H 1 8.450 8.450 8.313 0.137 25449
3061 1 7 . 1 1 2 2 SER N N 2 116.700 116.700 117.560 -0.860 25449
3062 1 7 . 1 1 2 2 SER HA H 2 4.370 4.370 4.498 -0.128 25449
3063 1 7 . 1 1 2 2 SER C C 2 174.200 174.200 173.205 0.995 25449
3064 1 7 . 1 1 2 2 SER CA C 2 58.400 58.400 58.350 0.050 25449
3065 1 7 . 1 1 2 2 SER CB C 2 63.800 63.800 62.026 1.774 25449
3066 1 7 . 1 1 2 2 SER H H 2 8.410 8.410 8.023 0.387 25449
3067 1 7 . 1 1 3 3 ASP N N 3 122.100 122.100 123.699 -1.599 25449
3068 1 7 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.652 -0.102 25449
3069 1 7 . 1 1 3 3 ASP C C 3 176.100 176.100 173.695 2.405 25449
3070 1 7 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.131 -0.631 25449
3071 1 7 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.045 -0.845 25449
3072 1 7 . 1 1 3 3 ASP H H 3 8.340 8.340 8.140 0.200 25449
3073 1 7 . 1 1 4 4 ASN N N 4 119.100 119.100 119.869 -0.769 25449
3074 1 7 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.869 -0.289 25449
3075 1 7 . 1 1 4 4 ASN C C 4 174.900 174.900 174.343 0.557 25449
3076 1 7 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.392 0.308 25449
3077 1 7 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.868 -0.968 25449
3078 1 7 . 1 1 4 4 ASN H H 4 8.420 8.420 8.325 0.095 25449
3079 1 7 . 1 1 5 5 ASN N N 5 118.400 118.400 117.955 0.445 25449
3080 1 7 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.637 -0.097 25449
3081 1 7 . 1 1 5 5 ASN C C 5 173.900 173.900 174.669 -0.769 25449
3082 1 7 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.866 0.334 25449
3083 1 7 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.182 0.518 25449
3084 1 7 . 1 1 5 5 ASN H H 5 8.340 8.340 8.439 -0.099 25449
3085 1 7 . 1 1 6 6 ALA N N 6 122.100 122.100 123.201 -1.101 25449
3086 1 7 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.196 -1.456 25449
3087 1 7 . 1 1 6 6 ALA C C 6 177.000 177.000 176.599 0.401 25449
3088 1 7 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.501 -0.201 25449
3089 1 7 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.596 1.404 25449
3090 1 7 . 1 1 6 6 ALA H H 6 7.590 7.590 7.377 0.213 25449
3091 1 7 . 1 1 7 7 THR N N 7 112.700 112.700 118.241 -5.541 25449
3092 1 7 . 1 1 7 7 THR HA H 7 4.390 4.390 4.436 -0.046 25449
3093 1 7 . 1 1 7 7 THR C C 7 171.700 171.700 175.140 -3.440 25449
3094 1 7 . 1 1 7 7 THR CA C 7 59.800 59.800 61.365 -1.565 25449
3095 1 7 . 1 1 7 7 THR CB C 7 70.600 70.600 70.498 0.102 25449
3096 1 7 . 1 1 7 7 THR H H 7 6.840 6.840 7.684 -0.844 25449
3097 1 7 . 1 1 8 8 ASP N N 8 114.600 114.600 123.293 -8.693 25449
3098 1 7 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.343 0.147 25449
3099 1 7 . 1 1 8 8 ASP C C 8 174.300 174.300 174.756 -0.456 25449
3100 1 7 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.684 -2.183 25449
3101 1 7 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.193 -0.393 25449
3102 1 7 . 1 1 8 8 ASP H H 8 8.170 8.170 8.706 -0.536 25449
3103 1 7 . 1 1 9 9 ILE N N 9 117.800 117.800 118.427 -0.627 25449
3104 1 7 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.931 -0.121 25449
3105 1 7 . 1 1 9 9 ILE C C 9 174.700 174.700 174.355 0.345 25449
3106 1 7 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.257 0.343 25449
3107 1 7 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.399 -0.099 25449
3108 1 7 . 1 1 9 9 ILE H H 9 7.890 7.890 7.402 0.488 25449
3109 1 7 . 1 1 10 10 LEU N N 10 125.300 125.300 127.072 -1.772 25449
3110 1 7 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.860 0.100 25449
3111 1 7 . 1 1 10 10 LEU C C 10 176.100 176.100 175.138 0.962 25449
3112 1 7 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.094 -1.194 25449
3113 1 7 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.637 -1.537 25449
3114 1 7 . 1 1 10 10 LEU H H 10 9.370 9.370 8.204 1.166 25449
3115 1 7 . 1 1 11 11 PHE N N 11 124.300 124.300 126.989 -2.689 25449
3116 1 7 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.768 -0.098 25449
3117 1 7 . 1 1 11 11 PHE C C 11 173.400 173.400 173.981 -0.581 25449
3118 1 7 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.940 -0.940 25449
3119 1 7 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.927 -0.227 25449
3120 1 7 . 1 1 11 11 PHE H H 11 9.310 9.310 8.646 0.664 25449
3121 1 7 . 1 1 12 12 VAL N N 12 128.300 128.300 125.601 2.699 25449
3122 1 7 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.187 0.233 25449
3123 1 7 . 1 1 12 12 VAL C C 12 173.900 173.900 174.338 -0.438 25449
3124 1 7 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.245 -0.045 25449
3125 1 7 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.362 -2.262 25449
3126 1 7 . 1 1 12 12 VAL H H 12 8.380 8.380 7.893 0.487 25449
3127 1 7 . 1 1 13 13 GLY N N 13 111.800 111.800 110.816 0.984 25449
3128 1 7 . 1 1 13 13 GLY C C 13 173.800 173.800 173.763 0.037 25449
3129 1 7 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.365 0.035 25449
3130 1 7 . 1 1 13 13 GLY H H 13 9.150 9.150 8.411 0.739 25449
3131 1 7 . 1 1 14 14 GLY N N 14 107.600 107.600 107.663 -0.063 25449
3132 1 7 . 1 1 14 14 GLY C C 14 175.400 175.400 173.937 1.463 25449
3133 1 7 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.999 0.801 25449
3134 1 7 . 1 1 14 14 GLY H H 14 8.260 8.260 8.437 -0.177 25449
3135 1 7 . 1 1 15 15 ILE N N 15 111.100 111.100 119.715 -8.615 25449
3136 1 7 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.372 -0.332 25449
3137 1 7 . 1 1 15 15 ILE C C 15 175.500 175.500 175.078 0.422 25449
3138 1 7 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.577 1.923 25449
3139 1 7 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.147 -1.647 25449
3140 1 7 . 1 1 15 15 ILE H H 15 6.930 6.930 7.943 -1.013 25449
3141 1 7 . 1 1 16 16 ASP N N 16 122.800 122.800 121.133 1.667 25449
3142 1 7 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.546 0.034 25449
3143 1 7 . 1 1 16 16 ASP C C 16 177.200 177.200 176.663 0.537 25449
3144 1 7 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.896 -0.196 25449
3145 1 7 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.437 0.063 25449
3146 1 7 . 1 1 16 16 ASP H H 16 8.320 8.320 8.585 -0.265 25449
3147 1 7 . 1 1 17 17 GLU N N 17 119.600 119.600 118.244 1.356 25449
3148 1 7 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.261 -0.121 25449
3149 1 7 . 1 1 17 17 GLU C C 17 176.800 176.800 175.864 0.936 25449
3150 1 7 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.609 1.991 25449
3151 1 7 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.574 1.226 25449
3152 1 7 . 1 1 17 17 GLU H H 17 8.830 8.830 8.740 0.090 25449
3153 1 7 . 1 1 18 18 THR N N 18 111.300 111.300 114.434 -3.134 25449
3154 1 7 . 1 1 18 18 THR HA H 18 4.250 4.250 4.549 -0.299 25449
3155 1 7 . 1 1 18 18 THR C C 18 175.200 175.200 174.178 1.022 25449
3156 1 7 . 1 1 18 18 THR CA C 18 62.600 62.600 61.347 1.253 25449
3157 1 7 . 1 1 18 18 THR CB C 18 69.600 69.600 69.334 0.266 25449
3158 1 7 . 1 1 18 18 THR H H 18 8.740 8.740 7.653 1.087 25449
3159 1 7 . 1 1 19 19 ILE N N 19 123.300 123.300 118.750 4.550 25449
3160 1 7 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.386 -0.506 25449
3161 1 7 . 1 1 19 19 ILE C C 19 174.300 174.300 174.071 0.229 25449
3162 1 7 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.429 1.471 25449
3163 1 7 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.080 -3.480 25449
3164 1 7 . 1 1 19 19 ILE H H 19 7.220 7.220 7.446 -0.226 25449
3165 1 7 . 1 1 20 20 ASP N N 20 125.600 125.600 123.161 2.439 25449
3166 1 7 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.912 -0.272 25449
3167 1 7 . 1 1 20 20 ASP C C 20 175.300 175.300 176.526 -1.226 25449
3168 1 7 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.046 -1.546 25449
3169 1 7 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.980 -0.980 25449
3170 1 7 . 1 1 20 20 ASP H H 20 7.790 7.790 7.946 -0.156 25449
3171 1 7 . 1 1 21 21 GLU N N 21 118.400 118.400 122.149 -3.749 25449
3172 1 7 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.916 -0.286 25449
3173 1 7 . 1 1 21 21 GLU C C 21 177.900 177.900 178.360 -0.460 25449
3174 1 7 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.669 0.231 25449
3175 1 7 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.932 -0.732 25449
3176 1 7 . 1 1 21 21 GLU H H 21 9.220 9.220 8.991 0.229 25449
3177 1 7 . 1 1 22 22 LYS N N 22 119.700 119.700 117.777 1.923 25449
3178 1 7 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.235 -0.175 25449
3179 1 7 . 1 1 22 22 LYS C C 22 178.500 178.500 178.782 -0.282 25449
3180 1 7 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.772 0.528 25449
3181 1 7 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.767 0.033 25449
3182 1 7 . 1 1 22 22 LYS H H 22 8.040 8.040 8.512 -0.472 25449
3183 1 7 . 1 1 23 23 SER N N 23 114.900 114.900 115.894 -0.994 25449
3184 1 7 . 1 1 23 23 SER HA H 23 4.300 4.300 4.275 0.025 25449
3185 1 7 . 1 1 23 23 SER C C 23 177.600 177.600 176.381 1.219 25449
3186 1 7 . 1 1 23 23 SER CA C 23 61.800 61.800 61.460 0.340 25449
3187 1 7 . 1 1 23 23 SER CB C 23 62.900 62.900 62.778 0.122 25449
3188 1 7 . 1 1 23 23 SER H H 23 8.240 8.240 8.110 0.130 25449
3189 1 7 . 1 1 24 24 LEU N N 24 118.800 118.800 121.671 -2.871 25449
3190 1 7 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.173 0.007 25449
3191 1 7 . 1 1 24 24 LEU C C 24 178.700 178.700 178.762 -0.062 25449
3192 1 7 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.934 0.365 25449
3193 1 7 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.556 0.544 25449
3194 1 7 . 1 1 24 24 LEU H H 24 7.750 7.750 7.535 0.215 25449
3195 1 7 . 1 1 25 25 TYR N N 25 123.200 123.200 121.410 1.790 25449
3196 1 7 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.083 -0.453 25449
3197 1 7 . 1 1 25 25 TYR C C 25 178.600 178.600 177.296 1.304 25449
3198 1 7 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.843 2.357 25449
3199 1 7 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.353 -0.153 25449
3200 1 7 . 1 1 25 25 TYR H H 25 8.970 8.970 7.587 1.383 25449
3201 1 7 . 1 1 26 26 ASP N N 26 119.800 119.800 119.048 0.752 25449
3202 1 7 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.479 -0.208 25449
3203 1 7 . 1 1 26 26 ASP C C 26 177.900 177.900 178.689 -0.789 25449
3204 1 7 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.729 -0.029 25449
3205 1 7 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.916 -0.916 25449
3206 1 7 . 1 1 26 26 ASP H H 26 8.510 8.510 7.857 0.653 25449
3207 1 7 . 1 1 27 27 ILE N N 27 114.700 114.700 119.967 -5.267 25449
3208 1 7 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.876 0.084 25449
3209 1 7 . 1 1 27 27 ILE C C 27 177.700 177.700 177.688 0.012 25449
3210 1 7 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.931 -1.631 25449
3211 1 7 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.260 0.740 25449
3212 1 7 . 1 1 27 27 ILE H H 27 7.320 7.320 7.575 -0.255 25449
3213 1 7 . 1 1 28 28 PHE N N 28 116.900 116.900 117.507 -0.607 25449
3214 1 7 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.562 -0.192 25449
3215 1 7 . 1 1 28 28 PHE C C 28 179.900 179.900 176.954 2.946 25449
3216 1 7 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.829 3.471 25449
3217 1 7 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.531 -1.231 25449
3218 1 7 . 1 1 28 28 PHE H H 28 8.650 8.650 8.037 0.613 25449
3219 1 7 . 1 1 29 29 SER N N 29 120.100 120.100 112.660 7.440 25449
3220 1 7 . 1 1 29 29 SER HA H 29 4.410 4.410 4.769 -0.359 25449
3221 1 7 . 1 1 29 29 SER C C 29 175.600 175.600 175.373 0.227 25449
3222 1 7 . 1 1 29 29 SER CA C 29 61.300 61.300 59.385 1.915 25449
3223 1 7 . 1 1 29 29 SER CB C 29 62.200 62.200 62.971 -0.771 25449
3224 1 7 . 1 1 29 29 SER H H 29 8.880 8.880 7.907 0.973 25449
3225 1 7 . 1 1 30 30 SER N N 30 116.200 116.200 117.169 -0.969 25449
3226 1 7 . 1 1 30 30 SER HA H 30 3.940 3.940 4.342 -0.402 25449
3227 1 7 . 1 1 30 30 SER C C 30 174.900 174.900 175.648 -0.748 25449
3228 1 7 . 1 1 30 30 SER CA C 30 60.400 60.400 60.749 -0.349 25449
3229 1 7 . 1 1 30 30 SER CB C 30 62.400 62.400 63.364 -0.964 25449
3230 1 7 . 1 1 30 30 SER H H 30 7.270 7.270 8.057 -0.787 25449
3231 1 7 . 1 1 31 31 PHE N N 31 115.600 115.600 121.750 -6.150 25449
3232 1 7 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.623 -0.343 25449
3233 1 7 . 1 1 31 31 PHE C C 31 174.100 174.100 176.236 -2.136 25449
3234 1 7 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.639 0.261 25449
3235 1 7 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.077 -0.777 25449
3236 1 7 . 1 1 31 31 PHE H H 31 6.980 6.980 8.068 -1.088 25449
3237 1 7 . 1 1 32 32 GLY N N 32 104.900 104.900 107.320 -2.420 25449
3238 1 7 . 1 1 32 32 GLY C C 32 171.600 171.600 172.705 -1.105 25449
3239 1 7 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.531 -0.231 25449
3240 1 7 . 1 1 32 32 GLY H H 32 7.300 7.300 7.635 -0.335 25449
3241 1 7 . 1 1 33 33 ASP N N 33 116.100 116.100 126.202 -10.102 25449
3242 1 7 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.578 -0.068 25449
3243 1 7 . 1 1 33 33 ASP C C 33 176.800 176.800 174.474 2.326 25449
3244 1 7 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.594 -0.194 25449
3245 1 7 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.132 -1.532 25449
3246 1 7 . 1 1 33 33 ASP H H 33 8.120 8.120 8.462 -0.342 25449
3247 1 7 . 1 1 34 34 ILE N N 34 126.400 126.400 119.515 6.885 25449
3248 1 7 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.070 -0.220 25449
3249 1 7 . 1 1 34 34 ILE C C 34 176.200 176.200 176.291 -0.091 25449
3250 1 7 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.359 1.841 25449
3251 1 7 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.822 1.078 25449
3252 1 7 . 1 1 34 34 ILE H H 34 8.670 8.670 8.252 0.418 25449
3253 1 7 . 1 1 35 35 ARG N N 35 128.900 128.900 127.116 1.784 25449
3254 1 7 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.235 -0.075 25449
3255 1 7 . 1 1 35 35 ARG C C 35 175.600 175.600 176.203 -0.603 25449
3256 1 7 . 1 1 35 35 ARG CA C 35 57.500 57.500 56.172 1.328 25449
3257 1 7 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.846 0.854 25449
3258 1 7 . 1 1 35 35 ARG H H 35 9.320 9.320 8.550 0.770 25449
3259 1 7 . 1 1 36 36 ASN N N 36 114.300 114.300 115.658 -1.358 25449
3260 1 7 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.814 -0.104 25449
3261 1 7 . 1 1 36 36 ASN C C 36 172.000 172.000 172.923 -0.923 25449
3262 1 7 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.227 0.273 25449
3263 1 7 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.792 1.808 25449
3264 1 7 . 1 1 36 36 ASN H H 36 7.620 7.620 8.041 -0.421 25449
3265 1 7 . 1 1 37 37 ILE N N 37 122.700 122.700 121.969 0.731 25449
3266 1 7 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.437 0.333 25449
3267 1 7 . 1 1 37 37 ILE C C 37 173.300 173.300 174.290 -0.990 25449
3268 1 7 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.877 -0.277 25449
3269 1 7 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.473 0.727 25449
3270 1 7 . 1 1 37 37 ILE H H 37 8.030 8.030 8.505 -0.475 25449
3271 1 7 . 1 1 38 38 GLU N N 38 126.700 126.700 128.427 -1.727 25449
3272 1 7 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449
3273 1 7 . 1 1 38 38 GLU C C 38 174.800 174.800 174.301 0.499 25449
3274 1 7 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.518 -1.118 25449
3275 1 7 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.412 1.988 25449
3276 1 7 . 1 1 38 38 GLU H H 38 8.870 8.870 8.581 0.289 25449
3277 1 7 . 1 1 39 39 VAL N N 39 126.400 126.400 127.076 -0.676 25449
3278 1 7 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.978 -0.278 25449
3279 1 7 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.150 -0.550 25449
3280 1 7 . 1 1 39 39 VAL H H 39 8.970 8.970 8.509 0.461 25449
3281 1 7 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.338 -0.108 25449
3282 1 7 . 1 1 40 40 PRO C C 40 176.300 176.300 175.273 1.027 25449
3283 1 7 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.073 0.227 25449
3284 1 7 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.782 0.718 25449
3285 1 7 . 1 1 41 41 LEU N N 41 120.700 120.700 125.251 -4.551 25449
3286 1 7 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.546 -0.026 25449
3287 1 7 . 1 1 41 41 LEU C C 41 177.900 177.900 175.978 1.922 25449
3288 1 7 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.400 0.700 25449
3289 1 7 . 1 1 41 41 LEU CB C 41 44.300 44.300 42.915 1.385 25449
3290 1 7 . 1 1 41 41 LEU H H 41 8.520 8.520 8.258 0.262 25449
3291 1 7 . 1 1 42 42 ASN N N 42 121.400 121.400 123.818 -2.418 25449
3292 1 7 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.754 -0.194 25449
3293 1 7 . 1 1 42 42 ASN C C 42 176.700 176.700 176.386 0.314 25449
3294 1 7 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.989 -0.089 25449
3295 1 7 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.346 -1.346 25449
3296 1 7 . 1 1 42 42 ASN H H 42 8.740 8.740 8.233 0.507 25449
3297 1 7 . 1 1 43 43 MET N N 43 125.500 125.500 125.040 0.460 25449
3298 1 7 . 1 1 43 43 MET HA H 43 4.210 4.210 4.370 -0.160 25449
3299 1 7 . 1 1 43 43 MET C C 43 177.200 177.200 176.287 0.913 25449
3300 1 7 . 1 1 43 43 MET CA C 43 57.100 57.100 57.583 -0.483 25449
3301 1 7 . 1 1 43 43 MET CB C 43 31.600 31.600 32.363 -0.763 25449
3302 1 7 . 1 1 43 43 MET H H 43 9.080 9.080 8.846 0.234 25449
3303 1 7 . 1 1 44 44 THR N N 44 114.400 114.400 113.866 0.534 25449
3304 1 7 . 1 1 44 44 THR HA H 44 4.160 4.160 4.311 -0.151 25449
3305 1 7 . 1 1 44 44 THR C C 44 175.900 175.900 175.929 -0.029 25449
3306 1 7 . 1 1 44 44 THR CA C 44 65.200 65.200 64.327 0.873 25449
3307 1 7 . 1 1 44 44 THR CB C 44 68.700 68.700 69.161 -0.461 25449
3308 1 7 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449
3309 1 7 . 1 1 45 45 THR N N 45 110.300 110.300 112.449 -2.149 25449
3310 1 7 . 1 1 45 45 THR HA H 45 4.160 4.160 4.521 -0.361 25449
3311 1 7 . 1 1 45 45 THR C C 45 175.500 175.500 174.178 1.322 25449
3312 1 7 . 1 1 45 45 THR CA C 45 62.000 62.000 60.941 1.059 25449
3313 1 7 . 1 1 45 45 THR CB C 45 70.000 70.000 69.965 0.035 25449
3314 1 7 . 1 1 45 45 THR H H 45 7.610 7.610 7.684 -0.074 25449
3315 1 7 . 1 1 46 46 LYS N N 46 115.700 115.700 120.522 -4.822 25449
3316 1 7 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.907 -0.187 25449
3317 1 7 . 1 1 46 46 LYS C C 46 174.600 174.600 174.108 0.492 25449
3318 1 7 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.292 0.307 25449
3319 1 7 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.953 -2.053 25449
3320 1 7 . 1 1 46 46 LYS H H 46 8.460 8.460 8.094 0.366 25449
3321 1 7 . 1 1 47 47 LYS N N 47 117.100 117.100 121.133 -4.033 25449
3322 1 7 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.595 0.085 25449
3323 1 7 . 1 1 47 47 LYS C C 47 176.300 176.300 176.633 -0.333 25449
3324 1 7 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.553 0.447 25449
3325 1 7 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.884 0.216 25449
3326 1 7 . 1 1 47 47 LYS H H 47 7.610 7.610 7.628 -0.018 25449
3327 1 7 . 1 1 48 48 ASN N N 48 117.700 117.700 120.880 -3.180 25449
3328 1 7 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.857 -0.158 25449
3329 1 7 . 1 1 48 48 ASN C C 48 174.000 174.000 175.588 -1.588 25449
3330 1 7 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.697 0.903 25449
3331 1 7 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.885 -1.185 25449
3332 1 7 . 1 1 48 48 ASN H H 48 8.740 8.740 8.823 -0.083 25449
3333 1 7 . 1 1 49 49 ARG N N 49 116.800 116.800 116.123 0.677 25449
3334 1 7 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.956 0.394 25449
3335 1 7 . 1 1 49 49 ARG C C 49 177.500 177.500 176.472 1.028 25449
3336 1 7 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.653 -1.052 25449
3337 1 7 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.082 4.518 25449
3338 1 7 . 1 1 49 49 ARG H H 49 8.530 8.530 8.414 0.116 25449
3339 1 7 . 1 1 50 50 GLY N N 50 108.300 108.300 105.566 2.734 25449
3340 1 7 . 1 1 50 50 GLY C C 50 173.500 173.500 173.241 0.259 25449
3341 1 7 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.103 0.697 25449
3342 1 7 . 1 1 50 50 GLY H H 50 8.900 8.900 8.766 0.134 25449
3343 1 7 . 1 1 51 51 PHE N N 51 113.900 113.900 116.239 -2.339 25449
3344 1 7 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.675 0.795 25449
3345 1 7 . 1 1 51 51 PHE C C 51 172.000 172.000 172.374 -0.374 25449
3346 1 7 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.717 -0.717 25449
3347 1 7 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.874 1.826 25449
3348 1 7 . 1 1 51 51 PHE H H 51 6.910 6.910 7.332 -0.422 25449
3349 1 7 . 1 1 52 52 ALA N N 52 120.500 120.500 124.540 -4.040 25449
3350 1 7 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.386 0.244 25449
3351 1 7 . 1 1 52 52 ALA C C 52 173.900 173.900 174.606 -0.706 25449
3352 1 7 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.303 -0.103 25449
3353 1 7 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.416 2.684 25449
3354 1 7 . 1 1 52 52 ALA H H 52 8.810 8.810 8.179 0.631 25449
3355 1 7 . 1 1 53 53 PHE N N 53 115.000 115.000 119.906 -4.906 25449
3356 1 7 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.854 0.806 25449
3357 1 7 . 1 1 53 53 PHE C C 53 175.600 175.600 174.851 0.749 25449
3358 1 7 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.078 0.122 25449
3359 1 7 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.302 1.098 25449
3360 1 7 . 1 1 53 53 PHE H H 53 8.730 8.730 8.019 0.711 25449
3361 1 7 . 1 1 54 54 VAL N N 54 122.300 122.300 122.014 0.286 25449
3362 1 7 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.288 -0.188 25449
3363 1 7 . 1 1 54 54 VAL C C 54 173.000 173.000 174.275 -1.275 25449
3364 1 7 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.484 0.215 25449
3365 1 7 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.784 -0.384 25449
3366 1 7 . 1 1 54 54 VAL H H 54 9.060 9.060 8.371 0.689 25449
3367 1 7 . 1 1 55 55 GLU N N 55 127.300 127.300 127.308 -0.008 25449
3368 1 7 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.817 0.343 25449
3369 1 7 . 1 1 55 55 GLU C C 55 175.900 175.900 175.647 0.253 25449
3370 1 7 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.570 -0.570 25449
3371 1 7 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.419 0.281 25449
3372 1 7 . 1 1 55 55 GLU H H 55 8.860 8.860 8.299 0.561 25449
3373 1 7 . 1 1 56 56 TYR N N 56 127.500 127.500 122.984 4.516 25449
3374 1 7 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.429 0.091 25449
3375 1 7 . 1 1 56 56 TYR C C 56 175.000 175.000 176.165 -1.165 25449
3376 1 7 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.663 0.037 25449
3377 1 7 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.930 0.270 25449
3378 1 7 . 1 1 56 56 TYR H H 56 9.470 9.470 8.748 0.722 25449
3379 1 7 . 1 1 57 57 VAL N N 57 119.200 119.200 118.916 0.284 25449
3380 1 7 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.077 -0.507 25449
3381 1 7 . 1 1 57 57 VAL C C 57 177.000 177.000 175.658 1.342 25449
3382 1 7 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.861 2.439 25449
3383 1 7 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.703 -0.703 25449
3384 1 7 . 1 1 57 57 VAL H H 57 7.800 7.800 8.089 -0.289 25449
3385 1 7 . 1 1 58 58 GLU N N 58 118.500 118.500 119.488 -0.988 25449
3386 1 7 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.599 0.181 25449
3387 1 7 . 1 1 58 58 GLU C C 58 177.500 177.500 176.530 0.970 25449
3388 1 7 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.178 -1.377 25449
3389 1 7 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.506 -0.006 25449
3390 1 7 . 1 1 58 58 GLU H H 58 9.530 9.530 8.116 1.414 25449
3391 1 7 . 1 1 59 59 VAL N N 59 125.200 125.200 124.868 0.332 25449
3392 1 7 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.868 -0.338 25449
3393 1 7 . 1 1 59 59 VAL C C 59 177.600 177.600 176.984 0.616 25449
3394 1 7 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.085 1.015 25449
3395 1 7 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.250 -0.550 25449
3396 1 7 . 1 1 59 59 VAL H H 59 8.650 8.650 8.668 -0.018 25449
3397 1 7 . 1 1 60 60 ASP N N 60 118.500 118.500 119.487 -0.987 25449
3398 1 7 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.504 -0.284 25449
3399 1 7 . 1 1 60 60 ASP C C 60 178.300 178.300 177.834 0.466 25449
3400 1 7 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.390 0.210 25449
3401 1 7 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.522 -0.022 25449
3402 1 7 . 1 1 60 60 ASP H H 60 8.970 8.970 8.574 0.396 25449
3403 1 7 . 1 1 61 61 ASP N N 61 119.900 119.900 120.230 -0.330 25449
3404 1 7 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.522 -0.162 25449
3405 1 7 . 1 1 61 61 ASP C C 61 176.800 176.800 178.404 -1.604 25449
3406 1 7 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.543 -0.643 25449
3407 1 7 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.615 -0.815 25449
3408 1 7 . 1 1 61 61 ASP H H 61 6.920 6.920 8.572 -1.652 25449
3409 1 7 . 1 1 62 62 ALA N N 62 122.700 122.700 122.153 0.547 25449
3410 1 7 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.329 0.051 25449
3411 1 7 . 1 1 62 62 ALA C C 62 171.600 171.600 179.231 -7.631 25449
3412 1 7 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.141 -0.041 25449
3413 1 7 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.236 -0.036 25449
3414 1 7 . 1 1 62 62 ALA H H 62 6.910 6.910 7.696 -0.786 25449
3415 1 7 . 1 1 63 63 LYS N N 63 116.200 116.200 118.655 -2.455 25449
3416 1 7 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.879 0.311 25449
3417 1 7 . 1 1 63 63 LYS C C 63 179.200 179.200 179.185 0.015 25449
3418 1 7 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.529 -0.229 25449
3419 1 7 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.850 0.750 25449
3420 1 7 . 1 1 63 63 LYS H H 63 8.020 8.020 8.065 -0.045 25449
3421 1 7 . 1 1 64 64 HIS N N 64 117.400 117.400 117.284 0.116 25449
3422 1 7 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.339 -0.029 25449
3423 1 7 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.185 -1.185 25449
3424 1 7 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.585 -0.485 25449
3425 1 7 . 1 1 64 64 HIS H H 64 7.460 7.460 7.551 -0.091 25449
3426 1 7 . 1 1 65 65 ALA N N 65 123.700 123.700 122.553 1.147 25449
3427 1 7 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.914 -1.744 25449
3428 1 7 . 1 1 65 65 ALA C C 65 178.700 178.700 178.731 -0.031 25449
3429 1 7 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.702 0.098 25449
3430 1 7 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.578 0.822 25449
3431 1 7 . 1 1 65 65 ALA H H 65 8.190 8.190 7.725 0.465 25449
3432 1 7 . 1 1 66 66 LEU N N 66 119.800 119.800 118.324 1.476 25449
3433 1 7 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.039 -0.609 25449
3434 1 7 . 1 1 66 66 LEU C C 66 178.700 178.700 179.109 -0.409 25449
3435 1 7 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.589 2.111 25449
3436 1 7 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.599 -0.499 25449
3437 1 7 . 1 1 66 66 LEU H H 66 8.340 8.340 7.464 0.876 25449
3438 1 7 . 1 1 67 67 TYR N N 67 116.200 116.200 120.285 -4.085 25449
3439 1 7 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.107 -0.097 25449
3440 1 7 . 1 1 67 67 TYR C C 67 177.700 177.700 177.643 0.057 25449
3441 1 7 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.359 -1.859 25449
3442 1 7 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.458 -0.358 25449
3443 1 7 . 1 1 67 67 TYR H H 67 7.760 7.760 7.835 -0.075 25449
3444 1 7 . 1 1 68 68 ASN N N 68 113.900 113.900 116.751 -2.851 25449
3445 1 7 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.580 -0.150 25449
3446 1 7 . 1 1 68 68 ASN C C 68 176.400 176.400 176.190 0.210 25449
3447 1 7 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.232 0.368 25449
3448 1 7 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.543 2.857 25449
3449 1 7 . 1 1 68 68 ASN H H 68 7.480 7.480 7.886 -0.406 25449
3450 1 7 . 1 1 69 69 MET N N 69 114.900 114.900 115.883 -0.983 25449
3451 1 7 . 1 1 69 69 MET HA H 69 4.760 4.760 4.506 0.254 25449
3452 1 7 . 1 1 69 69 MET C C 69 177.000 177.000 176.456 0.544 25449
3453 1 7 . 1 1 69 69 MET CA C 69 53.500 53.500 53.643 -0.143 25449
3454 1 7 . 1 1 69 69 MET CB C 69 31.100 31.100 32.657 -1.557 25449
3455 1 7 . 1 1 69 69 MET H H 69 8.310 8.310 7.400 0.910 25449
3456 1 7 . 1 1 70 70 ASN N N 70 117.700 117.700 118.018 -0.318 25449
3457 1 7 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.523 -0.153 25449
3458 1 7 . 1 1 70 70 ASN C C 70 176.400 176.400 176.384 0.016 25449
3459 1 7 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.569 0.531 25449
3460 1 7 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.967 -0.267 25449
3461 1 7 . 1 1 70 70 ASN H H 70 7.660 7.660 7.665 -0.005 25449
3462 1 7 . 1 1 71 71 ASN N N 71 121.500 121.500 116.694 4.806 25449
3463 1 7 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.701 -0.191 25449
3464 1 7 . 1 1 71 71 ASN C C 71 173.300 173.300 174.459 -1.159 25449
3465 1 7 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.447 3.353 25449
3466 1 7 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.576 -0.376 25449
3467 1 7 . 1 1 71 71 ASN H H 71 8.600 8.600 8.360 0.240 25449
3468 1 7 . 1 1 72 72 PHE N N 72 122.300 122.300 122.397 -0.097 25449
3469 1 7 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.514 -0.324 25449
3470 1 7 . 1 1 72 72 PHE C C 72 174.100 174.100 173.977 0.123 25449
3471 1 7 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.583 1.117 25449
3472 1 7 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.450 0.850 25449
3473 1 7 . 1 1 72 72 PHE H H 72 7.870 7.870 7.478 0.392 25449
3474 1 7 . 1 1 73 73 GLU N N 73 126.100 126.100 127.087 -0.987 25449
3475 1 7 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.422 -0.192 25449
3476 1 7 . 1 1 73 73 GLU C C 73 173.000 173.000 174.298 -1.298 25449
3477 1 7 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.958 1.642 25449
3478 1 7 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.885 -1.585 25449
3479 1 7 . 1 1 73 73 GLU H H 73 7.690 7.690 8.108 -0.418 25449
3480 1 7 . 1 1 74 74 LEU N N 74 128.900 128.900 123.612 5.288 25449
3481 1 7 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.313 0.207 25449
3482 1 7 . 1 1 74 74 LEU C C 74 175.500 175.500 175.563 -0.063 25449
3483 1 7 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.428 -1.128 25449
3484 1 7 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.810 1.790 25449
3485 1 7 . 1 1 74 74 LEU H H 74 8.620 8.620 7.991 0.629 25449
3486 1 7 . 1 1 75 75 ASN N N 75 126.800 126.800 121.403 5.397 25449
3487 1 7 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.442 -0.232 25449
3488 1 7 . 1 1 75 75 ASN C C 75 175.600 175.600 175.634 -0.034 25449
3489 1 7 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.670 0.230 25449
3490 1 7 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.600 -0.700 25449
3491 1 7 . 1 1 75 75 ASN H H 75 9.520 9.520 8.916 0.604 25449
3492 1 7 . 1 1 76 76 GLY N N 76 102.300 102.300 102.679 -0.379 25449
3493 1 7 . 1 1 76 76 GLY C C 76 173.600 173.600 173.253 0.347 25449
3494 1 7 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.912 0.388 25449
3495 1 7 . 1 1 76 76 GLY H H 76 8.500 8.500 8.285 0.215 25449
3496 1 7 . 1 1 77 77 LYS N N 77 120.800 120.800 118.690 2.110 25449
3497 1 7 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.571 -0.001 25449
3498 1 7 . 1 1 77 77 LYS C C 77 175.100 175.100 174.565 0.535 25449
3499 1 7 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.688 -0.488 25449
3500 1 7 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.617 -0.117 25449
3501 1 7 . 1 1 77 77 LYS H H 77 7.580 7.580 7.734 -0.154 25449
3502 1 7 . 1 1 78 78 ARG N N 78 123.300 123.300 123.799 -0.499 25449
3503 1 7 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.524 -0.044 25449
3504 1 7 . 1 1 78 78 ARG C C 78 176.600 176.600 175.940 0.660 25449
3505 1 7 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.242 0.058 25449
3506 1 7 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.622 -1.322 25449
3507 1 7 . 1 1 78 78 ARG H H 78 8.580 8.580 8.433 0.147 25449
3508 1 7 . 1 1 79 79 ILE N N 79 120.100 120.100 121.065 -0.965 25449
3509 1 7 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.464 0.236 25449
3510 1 7 . 1 1 79 79 ILE C C 79 175.200 175.200 175.053 0.147 25449
3511 1 7 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.173 -0.173 25449
3512 1 7 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.406 -0.006 25449
3513 1 7 . 1 1 79 79 ILE H H 79 8.450 8.450 8.412 0.038 25449
3514 1 7 . 1 1 80 80 HIS N N 80 119.900 119.900 124.529 -4.629 25449
3515 1 7 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.685 0.505 25449
3516 1 7 . 1 1 80 80 HIS C C 80 173.600 173.600 174.168 -0.568 25449
3517 1 7 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.608 -1.808 25449
3518 1 7 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.442 0.858 25449
3519 1 7 . 1 1 80 80 HIS H H 80 8.580 8.580 8.539 0.041 25449
3520 1 7 . 1 1 81 81 VAL N N 81 123.800 123.800 127.267 -3.467 25449
3521 1 7 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.274 1.006 25449
3522 1 7 . 1 1 81 81 VAL C C 81 173.600 173.600 174.281 -0.681 25449
3523 1 7 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.191 -0.991 25449
3524 1 7 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.599 2.401 25449
3525 1 7 . 1 1 81 81 VAL H H 81 8.650 8.650 8.125 0.525 25449
3526 1 7 . 1 1 82 82 ASN N N 82 121.100 121.100 124.433 -3.333 25449
3527 1 7 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.938 -0.188 25449
3528 1 7 . 1 1 82 82 ASN C C 82 174.000 174.000 173.436 0.564 25449
3529 1 7 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.303 0.597 25449
3530 1 7 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.115 0.785 25449
3531 1 7 . 1 1 82 82 ASN H H 82 8.890 8.890 8.044 0.846 25449
3532 1 7 . 1 1 83 83 TYR N N 83 120.400 120.400 120.797 -0.397 25449
3533 1 7 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.820 -0.020 25449
3534 1 7 . 1 1 83 83 TYR C C 83 177.100 177.100 174.913 2.187 25449
3535 1 7 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.323 1.077 25449
3536 1 7 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.405 -0.705 25449
3537 1 7 . 1 1 83 83 TYR H H 83 8.480 8.480 8.750 -0.270 25449
3538 1 7 . 1 1 84 84 SER N N 84 118.000 118.000 117.598 0.402 25449
3539 1 7 . 1 1 84 84 SER HA H 84 4.520 4.520 4.411 0.109 25449
3540 1 7 . 1 1 84 84 SER C C 84 174.100 174.100 171.750 2.350 25449
3541 1 7 . 1 1 84 84 SER CA C 84 57.700 57.700 56.798 0.902 25449
3542 1 7 . 1 1 84 84 SER CB C 84 64.300 64.300 65.749 -1.449 25449
3543 1 7 . 1 1 84 84 SER H H 84 9.040 9.040 7.624 1.416 25449
3544 1 7 . 1 1 85 85 LYS N N 85 125.300 125.300 120.091 5.209 25449
3545 1 7 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.313 0.127 25449
3546 1 7 . 1 1 85 85 LYS C C 85 175.600 175.600 175.421 0.179 25449
3547 1 7 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.326 0.974 25449
3548 1 7 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.513 0.187 25449
3549 1 7 . 1 1 85 85 LYS H H 85 8.410 8.410 8.196 0.214 25449
3550 1 8 . 1 1 -1 -1 SER N N -1 115.600 115.600 118.266 -2.666 25449
3551 1 8 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.537 -0.127 25449
3552 1 8 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.410 -1.410 25449
3553 1 8 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.623 0.577 25449
3554 1 8 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.577 -1.677 25449
3555 1 8 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.635 0.035 25449
3556 1 8 . 1 1 0 0 HIS N N 0 121.200 121.200 118.996 2.204 25449
3557 1 8 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.299 0.291 25449
3558 1 8 . 1 1 0 0 HIS C C 0 174.800 174.800 174.213 0.587 25449
3559 1 8 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.437 -0.337 25449
3560 1 8 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.764 0.136 25449
3561 1 8 . 1 1 0 0 HIS H H 0 8.730 8.730 8.580 0.150 25449
3562 1 8 . 1 1 1 1 MET N N 1 121.800 121.800 125.258 -3.458 25449
3563 1 8 . 1 1 1 1 MET HA H 1 4.370 4.370 4.267 0.103 25449
3564 1 8 . 1 1 1 1 MET C C 1 176.300 176.300 175.622 0.678 25449
3565 1 8 . 1 1 1 1 MET CA C 1 55.700 55.700 54.403 1.297 25449
3566 1 8 . 1 1 1 1 MET CB C 1 32.800 32.800 31.375 1.425 25449
3567 1 8 . 1 1 1 1 MET H H 1 8.450 8.450 8.406 0.044 25449
3568 1 8 . 1 1 2 2 SER N N 2 116.700 116.700 121.813 -5.113 25449
3569 1 8 . 1 1 2 2 SER HA H 2 4.370 4.370 4.246 0.124 25449
3570 1 8 . 1 1 2 2 SER C C 2 174.200 174.200 173.524 0.676 25449
3571 1 8 . 1 1 2 2 SER CA C 2 58.400 58.400 58.221 0.179 25449
3572 1 8 . 1 1 2 2 SER CB C 2 63.800 63.800 63.685 0.115 25449
3573 1 8 . 1 1 2 2 SER H H 2 8.410 8.410 8.095 0.315 25449
3574 1 8 . 1 1 3 3 ASP N N 3 122.100 122.100 125.448 -3.348 25449
3575 1 8 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.845 -0.295 25449
3576 1 8 . 1 1 3 3 ASP C C 3 176.100 176.100 174.636 1.464 25449
3577 1 8 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.690 0.810 25449
3578 1 8 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.162 -0.962 25449
3579 1 8 . 1 1 3 3 ASP H H 3 8.340 8.340 8.303 0.037 25449
3580 1 8 . 1 1 4 4 ASN N N 4 119.100 119.100 121.196 -2.096 25449
3581 1 8 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.795 -0.215 25449
3582 1 8 . 1 1 4 4 ASN C C 4 174.900 174.900 174.752 0.148 25449
3583 1 8 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.533 1.167 25449
3584 1 8 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.157 -1.258 25449
3585 1 8 . 1 1 4 4 ASN H H 4 8.420 8.420 8.048 0.372 25449
3586 1 8 . 1 1 5 5 ASN N N 5 118.400 118.400 118.135 0.265 25449
3587 1 8 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.646 -0.106 25449
3588 1 8 . 1 1 5 5 ASN C C 5 173.900 173.900 174.669 -0.769 25449
3589 1 8 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.673 0.527 25449
3590 1 8 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.441 0.259 25449
3591 1 8 . 1 1 5 5 ASN H H 5 8.340 8.340 8.530 -0.190 25449
3592 1 8 . 1 1 6 6 ALA N N 6 122.100 122.100 123.410 -1.310 25449
3593 1 8 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.086 -1.346 25449
3594 1 8 . 1 1 6 6 ALA C C 6 177.000 177.000 177.241 -0.241 25449
3595 1 8 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.783 -0.483 25449
3596 1 8 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.579 1.421 25449
3597 1 8 . 1 1 6 6 ALA H H 6 7.590 7.590 7.599 -0.009 25449
3598 1 8 . 1 1 7 7 THR N N 7 112.700 112.700 118.913 -6.213 25449
3599 1 8 . 1 1 7 7 THR HA H 7 4.390 4.390 4.334 0.056 25449
3600 1 8 . 1 1 7 7 THR C C 7 171.700 171.700 175.094 -3.394 25449
3601 1 8 . 1 1 7 7 THR CA C 7 59.800 59.800 61.170 -1.370 25449
3602 1 8 . 1 1 7 7 THR CB C 7 70.600 70.600 69.794 0.806 25449
3603 1 8 . 1 1 7 7 THR H H 7 6.840 6.840 7.817 -0.977 25449
3604 1 8 . 1 1 8 8 ASP N N 8 114.600 114.600 123.148 -8.548 25449
3605 1 8 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.241 0.249 25449
3606 1 8 . 1 1 8 8 ASP C C 8 174.300 174.300 174.527 -0.227 25449
3607 1 8 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.561 -2.061 25449
3608 1 8 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.763 0.037 25449
3609 1 8 . 1 1 8 8 ASP H H 8 8.170 8.170 8.817 -0.647 25449
3610 1 8 . 1 1 9 9 ILE N N 9 117.800 117.800 118.420 -0.620 25449
3611 1 8 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.115 -0.305 25449
3612 1 8 . 1 1 9 9 ILE C C 9 174.700 174.700 174.306 0.394 25449
3613 1 8 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.166 0.434 25449
3614 1 8 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.307 -0.007 25449
3615 1 8 . 1 1 9 9 ILE H H 9 7.890 7.890 7.420 0.470 25449
3616 1 8 . 1 1 10 10 LEU N N 10 125.300 125.300 126.434 -1.134 25449
3617 1 8 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.912 0.048 25449
3618 1 8 . 1 1 10 10 LEU C C 10 176.100 176.100 174.853 1.247 25449
3619 1 8 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.927 -1.027 25449
3620 1 8 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.858 -2.758 25449
3621 1 8 . 1 1 10 10 LEU H H 10 9.370 9.370 8.366 1.004 25449
3622 1 8 . 1 1 11 11 PHE N N 11 124.300 124.300 127.284 -2.984 25449
3623 1 8 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.961 -0.291 25449
3624 1 8 . 1 1 11 11 PHE C C 11 173.400 173.400 173.830 -0.430 25449
3625 1 8 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.807 0.193 25449
3626 1 8 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.033 -0.333 25449
3627 1 8 . 1 1 11 11 PHE H H 11 9.310 9.310 8.398 0.912 25449
3628 1 8 . 1 1 12 12 VAL N N 12 128.300 128.300 125.930 2.370 25449
3629 1 8 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.309 0.111 25449
3630 1 8 . 1 1 12 12 VAL C C 12 173.900 173.900 174.604 -0.704 25449
3631 1 8 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.467 -0.267 25449
3632 1 8 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.019 -1.919 25449
3633 1 8 . 1 1 12 12 VAL H H 12 8.380 8.380 7.802 0.578 25449
3634 1 8 . 1 1 13 13 GLY N N 13 111.800 111.800 110.387 1.413 25449
3635 1 8 . 1 1 13 13 GLY C C 13 173.800 173.800 173.986 -0.186 25449
3636 1 8 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.746 -0.346 25449
3637 1 8 . 1 1 13 13 GLY H H 13 9.150 9.150 8.421 0.729 25449
3638 1 8 . 1 1 14 14 GLY N N 14 107.600 107.600 108.107 -0.507 25449
3639 1 8 . 1 1 14 14 GLY C C 14 175.400 175.400 174.131 1.269 25449
3640 1 8 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.669 1.131 25449
3641 1 8 . 1 1 14 14 GLY H H 14 8.260 8.260 8.380 -0.120 25449
3642 1 8 . 1 1 15 15 ILE N N 15 111.100 111.100 122.475 -11.375 25449
3643 1 8 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.358 -0.318 25449
3644 1 8 . 1 1 15 15 ILE C C 15 175.500 175.500 175.521 -0.021 25449
3645 1 8 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.168 1.332 25449
3646 1 8 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.247 -0.747 25449
3647 1 8 . 1 1 15 15 ILE H H 15 6.930 6.930 7.749 -0.819 25449
3648 1 8 . 1 1 16 16 ASP N N 16 122.800 122.800 121.171 1.629 25449
3649 1 8 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.541 0.039 25449
3650 1 8 . 1 1 16 16 ASP C C 16 177.200 177.200 176.620 0.580 25449
3651 1 8 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.900 -0.200 25449
3652 1 8 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.441 0.059 25449
3653 1 8 . 1 1 16 16 ASP H H 16 8.320 8.320 8.481 -0.161 25449
3654 1 8 . 1 1 17 17 GLU N N 17 119.600 119.600 116.895 2.705 25449
3655 1 8 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.319 -0.179 25449
3656 1 8 . 1 1 17 17 GLU C C 17 176.800 176.800 176.255 0.545 25449
3657 1 8 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.222 1.378 25449
3658 1 8 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.954 0.846 25449
3659 1 8 . 1 1 17 17 GLU H H 17 8.830 8.830 8.628 0.202 25449
3660 1 8 . 1 1 18 18 THR N N 18 111.300 111.300 114.808 -3.508 25449
3661 1 8 . 1 1 18 18 THR HA H 18 4.250 4.250 4.385 -0.135 25449
3662 1 8 . 1 1 18 18 THR C C 18 175.200 175.200 173.761 1.439 25449
3663 1 8 . 1 1 18 18 THR CA C 18 62.600 62.600 60.988 1.612 25449
3664 1 8 . 1 1 18 18 THR CB C 18 69.600 69.600 69.093 0.507 25449
3665 1 8 . 1 1 18 18 THR H H 18 8.740 8.740 7.932 0.808 25449
3666 1 8 . 1 1 19 19 ILE N N 19 123.300 123.300 118.128 5.172 25449
3667 1 8 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.404 -0.524 25449
3668 1 8 . 1 1 19 19 ILE C C 19 174.300 174.300 174.240 0.060 25449
3669 1 8 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.114 1.786 25449
3670 1 8 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.011 -3.411 25449
3671 1 8 . 1 1 19 19 ILE H H 19 7.220 7.220 7.573 -0.353 25449
3672 1 8 . 1 1 20 20 ASP N N 20 125.600 125.600 123.729 1.871 25449
3673 1 8 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.897 -0.257 25449
3674 1 8 . 1 1 20 20 ASP C C 20 175.300 175.300 176.399 -1.099 25449
3675 1 8 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.347 -1.847 25449
3676 1 8 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.927 -0.927 25449
3677 1 8 . 1 1 20 20 ASP H H 20 7.790 7.790 7.968 -0.178 25449
3678 1 8 . 1 1 21 21 GLU N N 21 118.400 118.400 122.165 -3.765 25449
3679 1 8 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.920 -0.290 25449
3680 1 8 . 1 1 21 21 GLU C C 21 177.900 177.900 178.327 -0.427 25449
3681 1 8 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.523 0.377 25449
3682 1 8 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.861 -0.661 25449
3683 1 8 . 1 1 21 21 GLU H H 21 9.220 9.220 9.004 0.216 25449
3684 1 8 . 1 1 22 22 LYS N N 22 119.700 119.700 117.142 2.558 25449
3685 1 8 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.161 -0.101 25449
3686 1 8 . 1 1 22 22 LYS C C 22 178.500 178.500 179.086 -0.586 25449
3687 1 8 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.623 0.677 25449
3688 1 8 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.686 0.115 25449
3689 1 8 . 1 1 22 22 LYS H H 22 8.040 8.040 8.535 -0.495 25449
3690 1 8 . 1 1 23 23 SER N N 23 114.900 114.900 116.187 -1.287 25449
3691 1 8 . 1 1 23 23 SER HA H 23 4.300 4.300 4.246 0.054 25449
3692 1 8 . 1 1 23 23 SER C C 23 177.600 177.600 176.446 1.154 25449
3693 1 8 . 1 1 23 23 SER CA C 23 61.800 61.800 61.429 0.371 25449
3694 1 8 . 1 1 23 23 SER CB C 23 62.900 62.900 62.883 0.017 25449
3695 1 8 . 1 1 23 23 SER H H 23 8.240 8.240 7.660 0.580 25449
3696 1 8 . 1 1 24 24 LEU N N 24 118.800 118.800 121.578 -2.778 25449
3697 1 8 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.144 0.036 25449
3698 1 8 . 1 1 24 24 LEU C C 24 178.700 178.700 178.761 -0.061 25449
3699 1 8 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.998 0.302 25449
3700 1 8 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.531 0.569 25449
3701 1 8 . 1 1 24 24 LEU H H 24 7.750 7.750 7.464 0.286 25449
3702 1 8 . 1 1 25 25 TYR N N 25 123.200 123.200 121.509 1.691 25449
3703 1 8 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.049 -0.419 25449
3704 1 8 . 1 1 25 25 TYR C C 25 178.600 178.600 177.115 1.485 25449
3705 1 8 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.079 2.121 25449
3706 1 8 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.352 -0.152 25449
3707 1 8 . 1 1 25 25 TYR H H 25 8.970 8.970 7.559 1.411 25449
3708 1 8 . 1 1 26 26 ASP N N 26 119.800 119.800 118.161 1.639 25449
3709 1 8 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.550 -0.280 25449
3710 1 8 . 1 1 26 26 ASP C C 26 177.900 177.900 178.118 -0.218 25449
3711 1 8 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.636 0.064 25449
3712 1 8 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.901 -0.901 25449
3713 1 8 . 1 1 26 26 ASP H H 26 8.510 8.510 7.862 0.648 25449
3714 1 8 . 1 1 27 27 ILE N N 27 114.700 114.700 119.229 -4.529 25449
3715 1 8 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.900 0.060 25449
3716 1 8 . 1 1 27 27 ILE C C 27 177.700 177.700 177.891 -0.191 25449
3717 1 8 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.656 -1.357 25449
3718 1 8 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.264 0.736 25449
3719 1 8 . 1 1 27 27 ILE H H 27 7.320 7.320 7.506 -0.186 25449
3720 1 8 . 1 1 28 28 PHE N N 28 116.900 116.900 117.726 -0.826 25449
3721 1 8 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.563 -0.193 25449
3722 1 8 . 1 1 28 28 PHE C C 28 179.900 179.900 177.064 2.836 25449
3723 1 8 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.169 3.131 25449
3724 1 8 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.309 -1.009 25449
3725 1 8 . 1 1 28 28 PHE H H 28 8.650 8.650 8.128 0.522 25449
3726 1 8 . 1 1 29 29 SER N N 29 120.100 120.100 112.181 7.919 25449
3727 1 8 . 1 1 29 29 SER HA H 29 4.410 4.410 4.676 -0.266 25449
3728 1 8 . 1 1 29 29 SER C C 29 175.600 175.600 175.358 0.242 25449
3729 1 8 . 1 1 29 29 SER CA C 29 61.300 61.300 59.174 2.126 25449
3730 1 8 . 1 1 29 29 SER CB C 29 62.200 62.200 63.129 -0.929 25449
3731 1 8 . 1 1 29 29 SER H H 29 8.880 8.880 7.805 1.075 25449
3732 1 8 . 1 1 30 30 SER N N 30 116.200 116.200 116.882 -0.682 25449
3733 1 8 . 1 1 30 30 SER HA H 30 3.940 3.940 4.217 -0.277 25449
3734 1 8 . 1 1 30 30 SER C C 30 174.900 174.900 175.154 -0.254 25449
3735 1 8 . 1 1 30 30 SER CA C 30 60.400 60.400 60.610 -0.210 25449
3736 1 8 . 1 1 30 30 SER CB C 30 62.400 62.400 63.244 -0.844 25449
3737 1 8 . 1 1 30 30 SER H H 30 7.270 7.270 7.987 -0.717 25449
3738 1 8 . 1 1 31 31 PHE N N 31 115.600 115.600 121.583 -5.983 25449
3739 1 8 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.592 -0.312 25449
3740 1 8 . 1 1 31 31 PHE C C 31 174.100 174.100 176.256 -2.156 25449
3741 1 8 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.328 -0.428 25449
3742 1 8 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.406 -1.106 25449
3743 1 8 . 1 1 31 31 PHE H H 31 6.980 6.980 7.693 -0.713 25449
3744 1 8 . 1 1 32 32 GLY N N 32 104.900 104.900 106.755 -1.855 25449
3745 1 8 . 1 1 32 32 GLY C C 32 171.600 171.600 172.393 -0.793 25449
3746 1 8 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.264 0.036 25449
3747 1 8 . 1 1 32 32 GLY H H 32 7.300 7.300 7.612 -0.312 25449
3748 1 8 . 1 1 33 33 ASP N N 33 116.100 116.100 124.441 -8.341 25449
3749 1 8 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.366 0.144 25449
3750 1 8 . 1 1 33 33 ASP C C 33 176.800 176.800 174.516 2.284 25449
3751 1 8 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.470 -0.070 25449
3752 1 8 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.650 -2.050 25449
3753 1 8 . 1 1 33 33 ASP H H 33 8.120 8.120 8.419 -0.299 25449
3754 1 8 . 1 1 34 34 ILE N N 34 126.400 126.400 119.507 6.893 25449
3755 1 8 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.083 -0.233 25449
3756 1 8 . 1 1 34 34 ILE C C 34 176.200 176.200 176.586 -0.386 25449
3757 1 8 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.585 1.615 25449
3758 1 8 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.307 0.593 25449
3759 1 8 . 1 1 34 34 ILE H H 34 8.670 8.670 7.935 0.735 25449
3760 1 8 . 1 1 35 35 ARG N N 35 128.900 128.900 127.324 1.576 25449
3761 1 8 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.228 -0.068 25449
3762 1 8 . 1 1 35 35 ARG C C 35 175.600 175.600 175.841 -0.241 25449
3763 1 8 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.700 -0.200 25449
3764 1 8 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.245 0.455 25449
3765 1 8 . 1 1 35 35 ARG H H 35 9.320 9.320 8.479 0.841 25449
3766 1 8 . 1 1 36 36 ASN N N 36 114.300 114.300 114.590 -0.290 25449
3767 1 8 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449
3768 1 8 . 1 1 36 36 ASN C C 36 172.000 172.000 172.894 -0.894 25449
3769 1 8 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.271 0.229 25449
3770 1 8 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.495 2.104 25449
3771 1 8 . 1 1 36 36 ASN H H 36 7.620 7.620 8.117 -0.497 25449
3772 1 8 . 1 1 37 37 ILE N N 37 122.700 122.700 123.116 -0.416 25449
3773 1 8 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.443 0.327 25449
3774 1 8 . 1 1 37 37 ILE C C 37 173.300 173.300 174.567 -1.267 25449
3775 1 8 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.095 -0.495 25449
3776 1 8 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.257 0.943 25449
3777 1 8 . 1 1 37 37 ILE H H 37 8.030 8.030 8.508 -0.478 25449
3778 1 8 . 1 1 38 38 GLU N N 38 126.700 126.700 128.648 -1.948 25449
3779 1 8 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.659 0.001 25449
3780 1 8 . 1 1 38 38 GLU C C 38 174.800 174.800 174.432 0.368 25449
3781 1 8 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.459 -1.059 25449
3782 1 8 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.895 2.505 25449
3783 1 8 . 1 1 38 38 GLU H H 38 8.870 8.870 8.613 0.257 25449
3784 1 8 . 1 1 39 39 VAL N N 39 126.400 126.400 127.462 -1.062 25449
3785 1 8 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.099 -0.399 25449
3786 1 8 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.984 -0.384 25449
3787 1 8 . 1 1 39 39 VAL H H 39 8.970 8.970 8.461 0.509 25449
3788 1 8 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.395 -0.165 25449
3789 1 8 . 1 1 40 40 PRO C C 40 176.300 176.300 175.339 0.961 25449
3790 1 8 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.109 0.191 25449
3791 1 8 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.123 0.377 25449
3792 1 8 . 1 1 41 41 LEU N N 41 120.700 120.700 122.846 -2.146 25449
3793 1 8 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.568 -0.048 25449
3794 1 8 . 1 1 41 41 LEU C C 41 177.900 177.900 175.892 2.008 25449
3795 1 8 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.808 -0.708 25449
3796 1 8 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.543 -1.243 25449
3797 1 8 . 1 1 41 41 LEU H H 41 8.520 8.520 8.171 0.349 25449
3798 1 8 . 1 1 42 42 ASN N N 42 121.400 121.400 121.039 0.361 25449
3799 1 8 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.958 -0.398 25449
3800 1 8 . 1 1 42 42 ASN C C 42 176.700 176.700 175.985 0.715 25449
3801 1 8 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.271 0.629 25449
3802 1 8 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.322 -1.322 25449
3803 1 8 . 1 1 42 42 ASN H H 42 8.740 8.740 8.497 0.243 25449
3804 1 8 . 1 1 43 43 MET N N 43 125.500 125.500 124.192 1.308 25449
3805 1 8 . 1 1 43 43 MET HA H 43 4.210 4.210 4.412 -0.202 25449
3806 1 8 . 1 1 43 43 MET C C 43 177.200 177.200 176.761 0.439 25449
3807 1 8 . 1 1 43 43 MET CA C 43 57.100 57.100 57.343 -0.243 25449
3808 1 8 . 1 1 43 43 MET CB C 43 31.600 31.600 32.573 -0.973 25449
3809 1 8 . 1 1 43 43 MET H H 43 9.080 9.080 8.929 0.151 25449
3810 1 8 . 1 1 44 44 THR N N 44 114.400 114.400 114.300 0.100 25449
3811 1 8 . 1 1 44 44 THR HA H 44 4.160 4.160 4.307 -0.147 25449
3812 1 8 . 1 1 44 44 THR C C 44 175.900 175.900 175.809 0.091 25449
3813 1 8 . 1 1 44 44 THR CA C 44 65.200 65.200 64.883 0.317 25449
3814 1 8 . 1 1 44 44 THR CB C 44 68.700 68.700 69.262 -0.562 25449
3815 1 8 . 1 1 44 44 THR H H 44 8.590 8.590 7.973 0.617 25449
3816 1 8 . 1 1 45 45 THR N N 45 110.300 110.300 113.626 -3.326 25449
3817 1 8 . 1 1 45 45 THR HA H 45 4.160 4.160 4.424 -0.264 25449
3818 1 8 . 1 1 45 45 THR C C 45 175.500 175.500 173.891 1.609 25449
3819 1 8 . 1 1 45 45 THR CA C 45 62.000 62.000 61.556 0.444 25449
3820 1 8 . 1 1 45 45 THR CB C 45 70.000 70.000 69.353 0.647 25449
3821 1 8 . 1 1 45 45 THR H H 45 7.610 7.610 7.676 -0.066 25449
3822 1 8 . 1 1 46 46 LYS N N 46 115.700 115.700 121.083 -5.383 25449
3823 1 8 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.875 -0.155 25449
3824 1 8 . 1 1 46 46 LYS C C 46 174.600 174.600 174.804 -0.204 25449
3825 1 8 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.467 0.133 25449
3826 1 8 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.015 -2.115 25449
3827 1 8 . 1 1 46 46 LYS H H 46 8.460 8.460 7.981 0.479 25449
3828 1 8 . 1 1 47 47 LYS N N 47 117.100 117.100 116.618 0.482 25449
3829 1 8 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.128 0.552 25449
3830 1 8 . 1 1 47 47 LYS C C 47 176.300 176.300 177.051 -0.751 25449
3831 1 8 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.782 -2.782 25449
3832 1 8 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.363 2.737 25449
3833 1 8 . 1 1 47 47 LYS H H 47 7.610 7.610 8.060 -0.450 25449
3834 1 8 . 1 1 48 48 ASN N N 48 117.700 117.700 120.649 -2.949 25449
3835 1 8 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.637 0.063 25449
3836 1 8 . 1 1 48 48 ASN C C 48 174.000 174.000 175.390 -1.390 25449
3837 1 8 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.228 1.372 25449
3838 1 8 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.191 -1.490 25449
3839 1 8 . 1 1 48 48 ASN H H 48 8.740 8.740 8.720 0.020 25449
3840 1 8 . 1 1 49 49 ARG N N 49 116.800 116.800 116.760 0.040 25449
3841 1 8 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.036 0.314 25449
3842 1 8 . 1 1 49 49 ARG C C 49 177.500 177.500 176.417 1.083 25449
3843 1 8 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.453 -0.853 25449
3844 1 8 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.024 4.576 25449
3845 1 8 . 1 1 49 49 ARG H H 49 8.530 8.530 8.532 -0.002 25449
3846 1 8 . 1 1 50 50 GLY N N 50 108.300 108.300 105.273 3.027 25449
3847 1 8 . 1 1 50 50 GLY C C 50 173.500 173.500 173.169 0.331 25449
3848 1 8 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.503 0.297 25449
3849 1 8 . 1 1 50 50 GLY H H 50 8.900 8.900 8.777 0.123 25449
3850 1 8 . 1 1 51 51 PHE N N 51 113.900 113.900 117.134 -3.234 25449
3851 1 8 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.794 0.676 25449
3852 1 8 . 1 1 51 51 PHE C C 51 172.000 172.000 172.307 -0.307 25449
3853 1 8 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.779 -0.779 25449
3854 1 8 . 1 1 51 51 PHE CB C 51 42.700 42.700 41.331 1.369 25449
3855 1 8 . 1 1 51 51 PHE H H 51 6.910 6.910 7.182 -0.272 25449
3856 1 8 . 1 1 52 52 ALA N N 52 120.500 120.500 125.566 -5.066 25449
3857 1 8 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.153 0.477 25449
3858 1 8 . 1 1 52 52 ALA C C 52 173.900 173.900 174.260 -0.360 25449
3859 1 8 . 1 1 52 52 ALA CA C 52 50.200 50.200 51.383 -1.183 25449
3860 1 8 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.150 2.950 25449
3861 1 8 . 1 1 52 52 ALA H H 52 8.810 8.810 7.677 1.133 25449
3862 1 8 . 1 1 53 53 PHE N N 53 115.000 115.000 119.216 -4.216 25449
3863 1 8 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.901 0.759 25449
3864 1 8 . 1 1 53 53 PHE C C 53 175.600 175.600 175.141 0.459 25449
3865 1 8 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.332 -0.132 25449
3866 1 8 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.294 1.106 25449
3867 1 8 . 1 1 53 53 PHE H H 53 8.730 8.730 7.967 0.763 25449
3868 1 8 . 1 1 54 54 VAL N N 54 122.300 122.300 121.766 0.534 25449
3869 1 8 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.267 -0.167 25449
3870 1 8 . 1 1 54 54 VAL C C 54 173.000 173.000 174.265 -1.265 25449
3871 1 8 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.931 -0.231 25449
3872 1 8 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.988 -0.588 25449
3873 1 8 . 1 1 54 54 VAL H H 54 9.060 9.060 8.621 0.439 25449
3874 1 8 . 1 1 55 55 GLU N N 55 127.300 127.300 127.473 -0.173 25449
3875 1 8 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.846 0.314 25449
3876 1 8 . 1 1 55 55 GLU C C 55 175.900 175.900 175.589 0.311 25449
3877 1 8 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.329 -0.329 25449
3878 1 8 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.404 0.296 25449
3879 1 8 . 1 1 55 55 GLU H H 55 8.860 8.860 8.257 0.603 25449
3880 1 8 . 1 1 56 56 TYR N N 56 127.500 127.500 123.779 3.721 25449
3881 1 8 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.465 0.055 25449
3882 1 8 . 1 1 56 56 TYR C C 56 175.000 175.000 175.938 -0.938 25449
3883 1 8 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.345 0.355 25449
3884 1 8 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.989 0.211 25449
3885 1 8 . 1 1 56 56 TYR H H 56 9.470 9.470 8.839 0.631 25449
3886 1 8 . 1 1 57 57 VAL N N 57 119.200 119.200 118.610 0.590 25449
3887 1 8 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.058 -0.487 25449
3888 1 8 . 1 1 57 57 VAL C C 57 177.000 177.000 175.584 1.416 25449
3889 1 8 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.478 1.822 25449
3890 1 8 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.527 -0.527 25449
3891 1 8 . 1 1 57 57 VAL H H 57 7.800 7.800 8.131 -0.331 25449
3892 1 8 . 1 1 58 58 GLU N N 58 118.500 118.500 118.597 -0.097 25449
3893 1 8 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.563 0.217 25449
3894 1 8 . 1 1 58 58 GLU C C 58 177.500 177.500 176.718 0.782 25449
3895 1 8 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.242 -1.442 25449
3896 1 8 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.567 -0.067 25449
3897 1 8 . 1 1 58 58 GLU H H 58 9.530 9.530 8.101 1.429 25449
3898 1 8 . 1 1 59 59 VAL N N 59 125.200 125.200 124.095 1.105 25449
3899 1 8 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.828 -0.298 25449
3900 1 8 . 1 1 59 59 VAL C C 59 177.600 177.600 176.937 0.663 25449
3901 1 8 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.233 0.867 25449
3902 1 8 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.289 -0.589 25449
3903 1 8 . 1 1 59 59 VAL H H 59 8.650 8.650 8.704 -0.054 25449
3904 1 8 . 1 1 60 60 ASP N N 60 118.500 118.500 119.575 -1.075 25449
3905 1 8 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.479 -0.259 25449
3906 1 8 . 1 1 60 60 ASP C C 60 178.300 178.300 177.696 0.604 25449
3907 1 8 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.650 -0.050 25449
3908 1 8 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.486 0.014 25449
3909 1 8 . 1 1 60 60 ASP H H 60 8.970 8.970 8.536 0.434 25449
3910 1 8 . 1 1 61 61 ASP N N 61 119.900 119.900 120.192 -0.292 25449
3911 1 8 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.269 0.091 25449
3912 1 8 . 1 1 61 61 ASP C C 61 176.800 176.800 178.449 -1.649 25449
3913 1 8 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.580 -0.680 25449
3914 1 8 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.357 -0.557 25449
3915 1 8 . 1 1 61 61 ASP H H 61 6.920 6.920 8.483 -1.563 25449
3916 1 8 . 1 1 62 62 ALA N N 62 122.700 122.700 122.080 0.620 25449
3917 1 8 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.231 0.149 25449
3918 1 8 . 1 1 62 62 ALA C C 62 171.600 171.600 179.242 -7.642 25449
3919 1 8 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.836 0.264 25449
3920 1 8 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.234 -0.034 25449
3921 1 8 . 1 1 62 62 ALA H H 62 6.910 6.910 7.808 -0.898 25449
3922 1 8 . 1 1 63 63 LYS N N 63 116.200 116.200 118.210 -2.010 25449
3923 1 8 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.876 0.314 25449
3924 1 8 . 1 1 63 63 LYS C C 63 179.200 179.200 178.780 0.420 25449
3925 1 8 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.769 -0.469 25449
3926 1 8 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.276 0.324 25449
3927 1 8 . 1 1 63 63 LYS H H 63 8.020 8.020 7.494 0.526 25449
3928 1 8 . 1 1 64 64 HIS N N 64 117.400 117.400 117.805 -0.405 25449
3929 1 8 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.288 0.022 25449
3930 1 8 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.897 -0.897 25449
3931 1 8 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.096 -0.996 25449
3932 1 8 . 1 1 64 64 HIS H H 64 7.460 7.460 7.650 -0.190 25449
3933 1 8 . 1 1 65 65 ALA N N 65 123.700 123.700 122.217 1.483 25449
3934 1 8 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.899 -1.729 25449
3935 1 8 . 1 1 65 65 ALA C C 65 178.700 178.700 179.180 -0.480 25449
3936 1 8 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.911 -0.112 25449
3937 1 8 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.604 0.796 25449
3938 1 8 . 1 1 65 65 ALA H H 65 8.190 8.190 7.927 0.263 25449
3939 1 8 . 1 1 66 66 LEU N N 66 119.800 119.800 118.745 1.055 25449
3940 1 8 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.123 -0.693 25449
3941 1 8 . 1 1 66 66 LEU C C 66 178.700 178.700 178.848 -0.148 25449
3942 1 8 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.583 2.117 25449
3943 1 8 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.637 -0.537 25449
3944 1 8 . 1 1 66 66 LEU H H 66 8.340 8.340 7.452 0.888 25449
3945 1 8 . 1 1 67 67 TYR N N 67 116.200 116.200 119.681 -3.481 25449
3946 1 8 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449
3947 1 8 . 1 1 67 67 TYR C C 67 177.700 177.700 177.482 0.218 25449
3948 1 8 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.038 -1.538 25449
3949 1 8 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.311 -0.211 25449
3950 1 8 . 1 1 67 67 TYR H H 67 7.760 7.760 7.768 -0.008 25449
3951 1 8 . 1 1 68 68 ASN N N 68 113.900 113.900 115.058 -1.158 25449
3952 1 8 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.668 -0.238 25449
3953 1 8 . 1 1 68 68 ASN C C 68 176.400 176.400 175.831 0.569 25449
3954 1 8 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.406 1.194 25449
3955 1 8 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.490 2.910 25449
3956 1 8 . 1 1 68 68 ASN H H 68 7.480 7.480 7.947 -0.467 25449
3957 1 8 . 1 1 69 69 MET N N 69 114.900 114.900 115.978 -1.078 25449
3958 1 8 . 1 1 69 69 MET HA H 69 4.760 4.760 4.658 0.102 25449
3959 1 8 . 1 1 69 69 MET C C 69 177.000 177.000 176.552 0.448 25449
3960 1 8 . 1 1 69 69 MET CA C 69 53.500 53.500 54.060 -0.560 25449
3961 1 8 . 1 1 69 69 MET CB C 69 31.100 31.100 32.584 -1.484 25449
3962 1 8 . 1 1 69 69 MET H H 69 8.310 8.310 7.635 0.675 25449
3963 1 8 . 1 1 70 70 ASN N N 70 117.700 117.700 118.787 -1.087 25449
3964 1 8 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.716 -0.346 25449
3965 1 8 . 1 1 70 70 ASN C C 70 176.400 176.400 175.665 0.735 25449
3966 1 8 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.941 1.159 25449
3967 1 8 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.527 0.173 25449
3968 1 8 . 1 1 70 70 ASN H H 70 7.660 7.660 7.908 -0.248 25449
3969 1 8 . 1 1 71 71 ASN N N 71 121.500 121.500 116.214 5.286 25449
3970 1 8 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.695 -0.185 25449
3971 1 8 . 1 1 71 71 ASN C C 71 173.300 173.300 174.317 -1.017 25449
3972 1 8 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.672 3.128 25449
3973 1 8 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.106 0.094 25449
3974 1 8 . 1 1 71 71 ASN H H 71 8.600 8.600 8.245 0.355 25449
3975 1 8 . 1 1 72 72 PHE N N 72 122.300 122.300 121.857 0.443 25449
3976 1 8 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.586 -0.396 25449
3977 1 8 . 1 1 72 72 PHE C C 72 174.100 174.100 173.788 0.312 25449
3978 1 8 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.983 1.717 25449
3979 1 8 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.219 0.081 25449
3980 1 8 . 1 1 72 72 PHE H H 72 7.870 7.870 7.516 0.354 25449
3981 1 8 . 1 1 73 73 GLU N N 73 126.100 126.100 128.093 -1.993 25449
3982 1 8 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.329 -0.099 25449
3983 1 8 . 1 1 73 73 GLU C C 73 173.000 173.000 174.495 -1.495 25449
3984 1 8 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.972 0.628 25449
3985 1 8 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.204 -0.904 25449
3986 1 8 . 1 1 73 73 GLU H H 73 7.690 7.690 8.247 -0.557 25449
3987 1 8 . 1 1 74 74 LEU N N 74 128.900 128.900 127.813 1.087 25449
3988 1 8 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.274 0.246 25449
3989 1 8 . 1 1 74 74 LEU C C 74 175.500 175.500 175.593 -0.093 25449
3990 1 8 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.338 -1.038 25449
3991 1 8 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.591 2.009 25449
3992 1 8 . 1 1 74 74 LEU H H 74 8.620 8.620 8.026 0.594 25449
3993 1 8 . 1 1 75 75 ASN N N 75 126.800 126.800 122.209 4.591 25449
3994 1 8 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.473 -0.263 25449
3995 1 8 . 1 1 75 75 ASN C C 75 175.600 175.600 175.487 0.113 25449
3996 1 8 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.885 0.016 25449
3997 1 8 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.317 -0.417 25449
3998 1 8 . 1 1 75 75 ASN H H 75 9.520 9.520 8.869 0.651 25449
3999 1 8 . 1 1 76 76 GLY N N 76 102.300 102.300 103.456 -1.156 25449
4000 1 8 . 1 1 76 76 GLY C C 76 173.600 173.600 173.815 -0.215 25449
4001 1 8 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.343 -0.043 25449
4002 1 8 . 1 1 76 76 GLY H H 76 8.500 8.500 8.295 0.205 25449
4003 1 8 . 1 1 77 77 LYS N N 77 120.800 120.800 119.667 1.133 25449
4004 1 8 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.441 0.129 25449
4005 1 8 . 1 1 77 77 LYS C C 77 175.100 175.100 175.387 -0.287 25449
4006 1 8 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.519 -0.319 25449
4007 1 8 . 1 1 77 77 LYS CB C 77 34.500 34.500 33.993 0.507 25449
4008 1 8 . 1 1 77 77 LYS H H 77 7.580 7.580 7.714 -0.134 25449
4009 1 8 . 1 1 78 78 ARG N N 78 123.300 123.300 125.941 -2.641 25449
4010 1 8 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.166 0.314 25449
4011 1 8 . 1 1 78 78 ARG C C 78 176.600 176.600 175.354 1.246 25449
4012 1 8 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.683 -0.383 25449
4013 1 8 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.046 0.254 25449
4014 1 8 . 1 1 78 78 ARG H H 78 8.580 8.580 8.592 -0.012 25449
4015 1 8 . 1 1 79 79 ILE N N 79 120.100 120.100 122.576 -2.476 25449
4016 1 8 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.337 0.363 25449
4017 1 8 . 1 1 79 79 ILE C C 79 175.200 175.200 174.498 0.702 25449
4018 1 8 . 1 1 79 79 ILE CA C 79 60.000 60.000 58.998 1.002 25449
4019 1 8 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.711 -0.311 25449
4020 1 8 . 1 1 79 79 ILE H H 79 8.450 8.450 8.153 0.297 25449
4021 1 8 . 1 1 80 80 HIS N N 80 119.900 119.900 126.451 -6.551 25449
4022 1 8 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.599 0.591 25449
4023 1 8 . 1 1 80 80 HIS C C 80 173.600 173.600 174.860 -1.260 25449
4024 1 8 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.599 -1.799 25449
4025 1 8 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.051 1.249 25449
4026 1 8 . 1 1 80 80 HIS H H 80 8.580 8.580 8.389 0.191 25449
4027 1 8 . 1 1 81 81 VAL N N 81 123.800 123.800 125.998 -2.198 25449
4028 1 8 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.644 0.636 25449
4029 1 8 . 1 1 81 81 VAL C C 81 173.600 173.600 174.745 -1.145 25449
4030 1 8 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.677 -1.477 25449
4031 1 8 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.931 2.069 25449
4032 1 8 . 1 1 81 81 VAL H H 81 8.650 8.650 8.667 -0.017 25449
4033 1 8 . 1 1 82 82 ASN N N 82 121.100 121.100 123.872 -2.772 25449
4034 1 8 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.320 -0.570 25449
4035 1 8 . 1 1 82 82 ASN C C 82 174.000 174.000 173.436 0.564 25449
4036 1 8 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.216 -0.316 25449
4037 1 8 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.284 0.616 25449
4038 1 8 . 1 1 82 82 ASN H H 82 8.890 8.890 8.315 0.575 25449
4039 1 8 . 1 1 83 83 TYR N N 83 120.400 120.400 120.501 -0.101 25449
4040 1 8 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.776 0.024 25449
4041 1 8 . 1 1 83 83 TYR C C 83 177.100 177.100 174.852 2.248 25449
4042 1 8 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.329 1.071 25449
4043 1 8 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.473 -0.773 25449
4044 1 8 . 1 1 83 83 TYR H H 83 8.480 8.480 8.630 -0.150 25449
4045 1 8 . 1 1 84 84 SER N N 84 118.000 118.000 116.425 1.575 25449
4046 1 8 . 1 1 84 84 SER HA H 84 4.520 4.520 4.457 0.063 25449
4047 1 8 . 1 1 84 84 SER C C 84 174.100 174.100 172.814 1.286 25449
4048 1 8 . 1 1 84 84 SER CA C 84 57.700 57.700 56.902 0.798 25449
4049 1 8 . 1 1 84 84 SER CB C 84 64.300 64.300 64.004 0.296 25449
4050 1 8 . 1 1 84 84 SER H H 84 9.040 9.040 7.961 1.079 25449
4051 1 8 . 1 1 85 85 LYS N N 85 125.300 125.300 121.576 3.724 25449
4052 1 8 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.403 0.037 25449
4053 1 8 . 1 1 85 85 LYS C C 85 175.600 175.600 175.070 0.530 25449
4054 1 8 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.673 0.627 25449
4055 1 8 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.157 1.543 25449
4056 1 8 . 1 1 85 85 LYS H H 85 8.410 8.410 8.149 0.261 25449
4057 1 9 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.578 -0.978 25449
4058 1 9 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.622 -0.212 25449
4059 1 9 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.629 -1.629 25449
4060 1 9 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.803 0.397 25449
4061 1 9 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.963 -1.063 25449
4062 1 9 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.382 0.288 25449
4063 1 9 . 1 1 0 0 HIS N N 0 121.200 121.200 119.756 1.444 25449
4064 1 9 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.338 0.252 25449
4065 1 9 . 1 1 0 0 HIS C C 0 174.800 174.800 174.223 0.577 25449
4066 1 9 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.206 -0.106 25449
4067 1 9 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.943 -0.043 25449
4068 1 9 . 1 1 0 0 HIS H H 0 8.730 8.730 8.536 0.194 25449
4069 1 9 . 1 1 1 1 MET N N 1 121.800 121.800 124.821 -3.021 25449
4070 1 9 . 1 1 1 1 MET HA H 1 4.370 4.370 4.348 0.022 25449
4071 1 9 . 1 1 1 1 MET C C 1 176.300 176.300 176.156 0.144 25449
4072 1 9 . 1 1 1 1 MET CA C 1 55.700 55.700 55.822 -0.122 25449
4073 1 9 . 1 1 1 1 MET CB C 1 32.800 32.800 32.760 0.040 25449
4074 1 9 . 1 1 1 1 MET H H 1 8.450 8.450 8.272 0.178 25449
4075 1 9 . 1 1 2 2 SER N N 2 116.700 116.700 121.154 -4.454 25449
4076 1 9 . 1 1 2 2 SER HA H 2 4.370 4.370 4.644 -0.274 25449
4077 1 9 . 1 1 2 2 SER C C 2 174.200 174.200 174.198 0.002 25449
4078 1 9 . 1 1 2 2 SER CA C 2 58.400 58.400 58.069 0.331 25449
4079 1 9 . 1 1 2 2 SER CB C 2 63.800 63.800 64.828 -1.028 25449
4080 1 9 . 1 1 2 2 SER H H 2 8.410 8.410 8.515 -0.105 25449
4081 1 9 . 1 1 3 3 ASP N N 3 122.100 122.100 124.701 -2.601 25449
4082 1 9 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.646 -0.096 25449
4083 1 9 . 1 1 3 3 ASP C C 3 176.100 176.100 174.880 1.220 25449
4084 1 9 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.230 0.270 25449
4085 1 9 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.118 0.082 25449
4086 1 9 . 1 1 3 3 ASP H H 3 8.340 8.340 8.725 -0.385 25449
4087 1 9 . 1 1 4 4 ASN N N 4 119.100 119.100 115.798 3.302 25449
4088 1 9 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.632 -0.052 25449
4089 1 9 . 1 1 4 4 ASN C C 4 174.900 174.900 173.870 1.030 25449
4090 1 9 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.430 1.270 25449
4091 1 9 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.763 -0.863 25449
4092 1 9 . 1 1 4 4 ASN H H 4 8.420 8.420 7.637 0.783 25449
4093 1 9 . 1 1 5 5 ASN N N 5 118.400 118.400 118.229 0.171 25449
4094 1 9 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.657 -0.117 25449
4095 1 9 . 1 1 5 5 ASN C C 5 173.900 173.900 174.359 -0.459 25449
4096 1 9 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.727 0.473 25449
4097 1 9 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.764 -0.064 25449
4098 1 9 . 1 1 5 5 ASN H H 5 8.340 8.340 8.519 -0.179 25449
4099 1 9 . 1 1 6 6 ALA N N 6 122.100 122.100 118.777 3.323 25449
4100 1 9 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.662 -0.922 25449
4101 1 9 . 1 1 6 6 ALA C C 6 177.000 177.000 176.249 0.751 25449
4102 1 9 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.216 0.084 25449
4103 1 9 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.044 0.956 25449
4104 1 9 . 1 1 6 6 ALA H H 6 7.590 7.590 7.427 0.163 25449
4105 1 9 . 1 1 7 7 THR N N 7 112.700 112.700 117.482 -4.782 25449
4106 1 9 . 1 1 7 7 THR HA H 7 4.390 4.390 4.340 0.050 25449
4107 1 9 . 1 1 7 7 THR C C 7 171.700 171.700 175.097 -3.397 25449
4108 1 9 . 1 1 7 7 THR CA C 7 59.800 59.800 61.671 -1.871 25449
4109 1 9 . 1 1 7 7 THR CB C 7 70.600 70.600 70.116 0.484 25449
4110 1 9 . 1 1 7 7 THR H H 7 6.840 6.840 7.943 -1.103 25449
4111 1 9 . 1 1 8 8 ASP N N 8 114.600 114.600 122.483 -7.883 25449
4112 1 9 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.312 0.178 25449
4113 1 9 . 1 1 8 8 ASP C C 8 174.300 174.300 174.428 -0.128 25449
4114 1 9 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.874 -2.374 25449
4115 1 9 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.092 -0.292 25449
4116 1 9 . 1 1 8 8 ASP H H 8 8.170 8.170 8.802 -0.632 25449
4117 1 9 . 1 1 9 9 ILE N N 9 117.800 117.800 118.587 -0.787 25449
4118 1 9 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.115 -0.305 25449
4119 1 9 . 1 1 9 9 ILE C C 9 174.700 174.700 174.329 0.371 25449
4120 1 9 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.365 0.235 25449
4121 1 9 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.372 -0.072 25449
4122 1 9 . 1 1 9 9 ILE H H 9 7.890 7.890 7.509 0.381 25449
4123 1 9 . 1 1 10 10 LEU N N 10 125.300 125.300 126.643 -1.343 25449
4124 1 9 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.824 0.136 25449
4125 1 9 . 1 1 10 10 LEU C C 10 176.100 176.100 175.036 1.064 25449
4126 1 9 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.225 -1.325 25449
4127 1 9 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.008 -1.908 25449
4128 1 9 . 1 1 10 10 LEU H H 10 9.370 9.370 8.395 0.975 25449
4129 1 9 . 1 1 11 11 PHE N N 11 124.300 124.300 127.511 -3.211 25449
4130 1 9 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.660 0.010 25449
4131 1 9 . 1 1 11 11 PHE C C 11 173.400 173.400 173.821 -0.421 25449
4132 1 9 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.732 0.268 25449
4133 1 9 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.869 0.831 25449
4134 1 9 . 1 1 11 11 PHE H H 11 9.310 9.310 8.221 1.089 25449
4135 1 9 . 1 1 12 12 VAL N N 12 128.300 128.300 128.859 -0.559 25449
4136 1 9 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.253 0.167 25449
4137 1 9 . 1 1 12 12 VAL C C 12 173.900 173.900 175.350 -1.450 25449
4138 1 9 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.487 -1.287 25449
4139 1 9 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.929 1.171 25449
4140 1 9 . 1 1 12 12 VAL H H 12 8.380 8.380 7.813 0.567 25449
4141 1 9 . 1 1 13 13 GLY N N 13 111.800 111.800 113.411 -1.611 25449
4142 1 9 . 1 1 13 13 GLY C C 13 173.800 173.800 173.451 0.349 25449
4143 1 9 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.241 0.159 25449
4144 1 9 . 1 1 13 13 GLY H H 13 9.150 9.150 7.550 1.600 25449
4145 1 9 . 1 1 14 14 GLY N N 14 107.600 107.600 108.509 -0.909 25449
4146 1 9 . 1 1 14 14 GLY C C 14 175.400 175.400 173.721 1.679 25449
4147 1 9 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.837 0.963 25449
4148 1 9 . 1 1 14 14 GLY H H 14 8.260 8.260 8.350 -0.090 25449
4149 1 9 . 1 1 15 15 ILE N N 15 111.100 111.100 115.647 -4.547 25449
4150 1 9 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.407 -0.367 25449
4151 1 9 . 1 1 15 15 ILE C C 15 175.500 175.500 174.561 0.939 25449
4152 1 9 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.105 1.395 25449
4153 1 9 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.320 -0.820 25449
4154 1 9 . 1 1 15 15 ILE H H 15 6.930 6.930 7.236 -0.306 25449
4155 1 9 . 1 1 16 16 ASP N N 16 122.800 122.800 124.319 -1.519 25449
4156 1 9 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.617 -0.037 25449
4157 1 9 . 1 1 16 16 ASP C C 16 177.200 177.200 177.553 -0.353 25449
4158 1 9 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.091 0.609 25449
4159 1 9 . 1 1 16 16 ASP CB C 16 42.500 42.500 43.388 -0.888 25449
4160 1 9 . 1 1 16 16 ASP H H 16 8.320 8.320 8.367 -0.047 25449
4161 1 9 . 1 1 17 17 GLU N N 17 119.600 119.600 120.757 -1.157 25449
4162 1 9 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.043 0.097 25449
4163 1 9 . 1 1 17 17 GLU C C 17 176.800 176.800 177.362 -0.562 25449
4164 1 9 . 1 1 17 17 GLU CA C 17 58.600 58.600 58.470 0.130 25449
4165 1 9 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.353 0.447 25449
4166 1 9 . 1 1 17 17 GLU H H 17 8.830 8.830 8.741 0.089 25449
4167 1 9 . 1 1 18 18 THR N N 18 111.300 111.300 114.436 -3.136 25449
4168 1 9 . 1 1 18 18 THR HA H 18 4.250 4.250 4.462 -0.212 25449
4169 1 9 . 1 1 18 18 THR C C 18 175.200 175.200 173.677 1.523 25449
4170 1 9 . 1 1 18 18 THR CA C 18 62.600 62.600 61.567 1.033 25449
4171 1 9 . 1 1 18 18 THR CB C 18 69.600 69.600 68.455 1.145 25449
4172 1 9 . 1 1 18 18 THR H H 18 8.740 8.740 7.573 1.167 25449
4173 1 9 . 1 1 19 19 ILE N N 19 123.300 123.300 118.331 4.969 25449
4174 1 9 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.657 -0.777 25449
4175 1 9 . 1 1 19 19 ILE C C 19 174.300 174.300 174.414 -0.114 25449
4176 1 9 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.018 1.882 25449
4177 1 9 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.919 -3.319 25449
4178 1 9 . 1 1 19 19 ILE H H 19 7.220 7.220 7.303 -0.083 25449
4179 1 9 . 1 1 20 20 ASP N N 20 125.600 125.600 122.119 3.481 25449
4180 1 9 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.772 -0.132 25449
4181 1 9 . 1 1 20 20 ASP C C 20 175.300 175.300 176.264 -0.964 25449
4182 1 9 . 1 1 20 20 ASP CA C 20 51.500 51.500 54.104 -2.604 25449
4183 1 9 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.170 -0.170 25449
4184 1 9 . 1 1 20 20 ASP H H 20 7.790 7.790 8.161 -0.371 25449
4185 1 9 . 1 1 21 21 GLU N N 21 118.400 118.400 121.012 -2.612 25449
4186 1 9 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.967 -0.337 25449
4187 1 9 . 1 1 21 21 GLU C C 21 177.900 177.900 178.222 -0.322 25449
4188 1 9 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.147 0.753 25449
4189 1 9 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.841 -0.641 25449
4190 1 9 . 1 1 21 21 GLU H H 21 9.220 9.220 8.995 0.225 25449
4191 1 9 . 1 1 22 22 LYS N N 22 119.700 119.700 117.875 1.825 25449
4192 1 9 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.326 -0.266 25449
4193 1 9 . 1 1 22 22 LYS C C 22 178.500 178.500 178.693 -0.193 25449
4194 1 9 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.500 0.800 25449
4195 1 9 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.946 -0.146 25449
4196 1 9 . 1 1 22 22 LYS H H 22 8.040 8.040 8.116 -0.076 25449
4197 1 9 . 1 1 23 23 SER N N 23 114.900 114.900 117.098 -2.198 25449
4198 1 9 . 1 1 23 23 SER HA H 23 4.300 4.300 4.255 0.045 25449
4199 1 9 . 1 1 23 23 SER C C 23 177.600 177.600 176.324 1.276 25449
4200 1 9 . 1 1 23 23 SER CA C 23 61.800 61.800 60.972 0.828 25449
4201 1 9 . 1 1 23 23 SER CB C 23 62.900 62.900 62.764 0.136 25449
4202 1 9 . 1 1 23 23 SER H H 23 8.240 8.240 8.088 0.152 25449
4203 1 9 . 1 1 24 24 LEU N N 24 118.800 118.800 120.984 -2.184 25449
4204 1 9 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.224 -0.044 25449
4205 1 9 . 1 1 24 24 LEU C C 24 178.700 178.700 178.888 -0.188 25449
4206 1 9 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.865 0.435 25449
4207 1 9 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.753 0.347 25449
4208 1 9 . 1 1 24 24 LEU H H 24 7.750 7.750 7.825 -0.075 25449
4209 1 9 . 1 1 25 25 TYR N N 25 123.200 123.200 121.022 2.178 25449
4210 1 9 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.119 -0.489 25449
4211 1 9 . 1 1 25 25 TYR C C 25 178.600 178.600 177.268 1.332 25449
4212 1 9 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.931 2.269 25449
4213 1 9 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.583 -0.383 25449
4214 1 9 . 1 1 25 25 TYR H H 25 8.970 8.970 7.554 1.416 25449
4215 1 9 . 1 1 26 26 ASP N N 26 119.800 119.800 119.266 0.534 25449
4216 1 9 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.513 -0.243 25449
4217 1 9 . 1 1 26 26 ASP C C 26 177.900 177.900 179.057 -1.157 25449
4218 1 9 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.683 0.017 25449
4219 1 9 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.038 -1.038 25449
4220 1 9 . 1 1 26 26 ASP H H 26 8.510 8.510 7.794 0.716 25449
4221 1 9 . 1 1 27 27 ILE N N 27 114.700 114.700 120.360 -5.660 25449
4222 1 9 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.833 0.127 25449
4223 1 9 . 1 1 27 27 ILE C C 27 177.700 177.700 177.693 0.007 25449
4224 1 9 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.970 -1.670 25449
4225 1 9 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.274 0.726 25449
4226 1 9 . 1 1 27 27 ILE H H 27 7.320 7.320 7.623 -0.303 25449
4227 1 9 . 1 1 28 28 PHE N N 28 116.900 116.900 115.920 0.980 25449
4228 1 9 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.466 -0.096 25449
4229 1 9 . 1 1 28 28 PHE C C 28 179.900 179.900 176.335 3.565 25449
4230 1 9 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.419 2.881 25449
4231 1 9 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.799 -1.499 25449
4232 1 9 . 1 1 28 28 PHE H H 28 8.650 8.650 8.188 0.462 25449
4233 1 9 . 1 1 29 29 SER N N 29 120.100 120.100 111.886 8.214 25449
4234 1 9 . 1 1 29 29 SER HA H 29 4.410 4.410 4.751 -0.341 25449
4235 1 9 . 1 1 29 29 SER C C 29 175.600 175.600 175.490 0.110 25449
4236 1 9 . 1 1 29 29 SER CA C 29 61.300 61.300 59.084 2.216 25449
4237 1 9 . 1 1 29 29 SER CB C 29 62.200 62.200 63.652 -1.452 25449
4238 1 9 . 1 1 29 29 SER H H 29 8.880 8.880 7.510 1.370 25449
4239 1 9 . 1 1 30 30 SER N N 30 116.200 116.200 117.607 -1.407 25449
4240 1 9 . 1 1 30 30 SER HA H 30 3.940 3.940 4.311 -0.371 25449
4241 1 9 . 1 1 30 30 SER C C 30 174.900 174.900 175.459 -0.559 25449
4242 1 9 . 1 1 30 30 SER CA C 30 60.400 60.400 60.859 -0.459 25449
4243 1 9 . 1 1 30 30 SER CB C 30 62.400 62.400 63.254 -0.854 25449
4244 1 9 . 1 1 30 30 SER H H 30 7.270 7.270 7.894 -0.624 25449
4245 1 9 . 1 1 31 31 PHE N N 31 115.600 115.600 121.534 -5.934 25449
4246 1 9 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.615 -0.335 25449
4247 1 9 . 1 1 31 31 PHE C C 31 174.100 174.100 176.188 -2.088 25449
4248 1 9 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.766 0.134 25449
4249 1 9 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.439 -1.139 25449
4250 1 9 . 1 1 31 31 PHE H H 31 6.980 6.980 7.944 -0.964 25449
4251 1 9 . 1 1 32 32 GLY N N 32 104.900 104.900 107.566 -2.666 25449
4252 1 9 . 1 1 32 32 GLY C C 32 171.600 171.600 173.127 -1.527 25449
4253 1 9 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.733 -0.433 25449
4254 1 9 . 1 1 32 32 GLY H H 32 7.300 7.300 7.564 -0.264 25449
4255 1 9 . 1 1 33 33 ASP N N 33 116.100 116.100 126.205 -10.105 25449
4256 1 9 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.638 -0.128 25449
4257 1 9 . 1 1 33 33 ASP C C 33 176.800 176.800 174.641 2.159 25449
4258 1 9 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.149 0.251 25449
4259 1 9 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.562 -1.962 25449
4260 1 9 . 1 1 33 33 ASP H H 33 8.120 8.120 8.225 -0.105 25449
4261 1 9 . 1 1 34 34 ILE N N 34 126.400 126.400 119.194 7.206 25449
4262 1 9 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.155 -0.305 25449
4263 1 9 . 1 1 34 34 ILE C C 34 176.200 176.200 176.359 -0.159 25449
4264 1 9 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.245 1.955 25449
4265 1 9 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.017 0.883 25449
4266 1 9 . 1 1 34 34 ILE H H 34 8.670 8.670 8.024 0.645 25449
4267 1 9 . 1 1 35 35 ARG N N 35 128.900 128.900 126.313 2.587 25449
4268 1 9 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.169 -0.009 25449
4269 1 9 . 1 1 35 35 ARG C C 35 175.600 175.600 176.031 -0.431 25449
4270 1 9 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.348 -0.848 25449
4271 1 9 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.124 0.576 25449
4272 1 9 . 1 1 35 35 ARG H H 35 9.320 9.320 8.417 0.903 25449
4273 1 9 . 1 1 36 36 ASN N N 36 114.300 114.300 113.845 0.455 25449
4274 1 9 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.754 -0.044 25449
4275 1 9 . 1 1 36 36 ASN C C 36 172.000 172.000 172.685 -0.685 25449
4276 1 9 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.226 0.274 25449
4277 1 9 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.137 2.463 25449
4278 1 9 . 1 1 36 36 ASN H H 36 7.620 7.620 8.087 -0.467 25449
4279 1 9 . 1 1 37 37 ILE N N 37 122.700 122.700 122.640 0.060 25449
4280 1 9 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.316 0.454 25449
4281 1 9 . 1 1 37 37 ILE C C 37 173.300 173.300 174.262 -0.962 25449
4282 1 9 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.550 -0.950 25449
4283 1 9 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.793 0.407 25449
4284 1 9 . 1 1 37 37 ILE H H 37 8.030 8.030 8.480 -0.450 25449
4285 1 9 . 1 1 38 38 GLU N N 38 126.700 126.700 128.989 -2.289 25449
4286 1 9 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.575 0.085 25449
4287 1 9 . 1 1 38 38 GLU C C 38 174.800 174.800 174.610 0.190 25449
4288 1 9 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.581 -1.181 25449
4289 1 9 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.370 3.030 25449
4290 1 9 . 1 1 38 38 GLU H H 38 8.870 8.870 8.601 0.269 25449
4291 1 9 . 1 1 39 39 VAL N N 39 126.400 126.400 126.238 0.162 25449
4292 1 9 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.185 -0.485 25449
4293 1 9 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.418 -0.818 25449
4294 1 9 . 1 1 39 39 VAL H H 39 8.970 8.970 8.397 0.573 25449
4295 1 9 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.386 -0.156 25449
4296 1 9 . 1 1 40 40 PRO C C 40 176.300 176.300 175.290 1.010 25449
4297 1 9 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.973 0.327 25449
4298 1 9 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.694 0.806 25449
4299 1 9 . 1 1 41 41 LEU N N 41 120.700 120.700 125.272 -4.572 25449
4300 1 9 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.432 0.088 25449
4301 1 9 . 1 1 41 41 LEU C C 41 177.900 177.900 175.715 2.185 25449
4302 1 9 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.670 0.430 25449
4303 1 9 . 1 1 41 41 LEU CB C 41 44.300 44.300 43.188 1.112 25449
4304 1 9 . 1 1 41 41 LEU H H 41 8.520 8.520 8.289 0.231 25449
4305 1 9 . 1 1 42 42 ASN N N 42 121.400 121.400 123.878 -2.478 25449
4306 1 9 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.713 -0.153 25449
4307 1 9 . 1 1 42 42 ASN C C 42 176.700 176.700 176.268 0.432 25449
4308 1 9 . 1 1 42 42 ASN CA C 42 52.900 52.900 53.192 -0.292 25449
4309 1 9 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.429 -1.429 25449
4310 1 9 . 1 1 42 42 ASN H H 42 8.740 8.740 8.089 0.651 25449
4311 1 9 . 1 1 43 43 MET N N 43 125.500 125.500 125.310 0.190 25449
4312 1 9 . 1 1 43 43 MET HA H 43 4.210 4.210 4.384 -0.174 25449
4313 1 9 . 1 1 43 43 MET C C 43 177.200 177.200 176.805 0.395 25449
4314 1 9 . 1 1 43 43 MET CA C 43 57.100 57.100 57.491 -0.391 25449
4315 1 9 . 1 1 43 43 MET CB C 43 31.600 31.600 32.537 -0.937 25449
4316 1 9 . 1 1 43 43 MET H H 43 9.080 9.080 8.924 0.156 25449
4317 1 9 . 1 1 44 44 THR N N 44 114.400 114.400 113.854 0.546 25449
4318 1 9 . 1 1 44 44 THR HA H 44 4.160 4.160 4.372 -0.212 25449
4319 1 9 . 1 1 44 44 THR C C 44 175.900 175.900 175.778 0.122 25449
4320 1 9 . 1 1 44 44 THR CA C 44 65.200 65.200 64.961 0.239 25449
4321 1 9 . 1 1 44 44 THR CB C 44 68.700 68.700 69.334 -0.634 25449
4322 1 9 . 1 1 44 44 THR H H 44 8.590 8.590 8.142 0.448 25449
4323 1 9 . 1 1 45 45 THR N N 45 110.300 110.300 114.479 -4.179 25449
4324 1 9 . 1 1 45 45 THR HA H 45 4.160 4.160 4.355 -0.195 25449
4325 1 9 . 1 1 45 45 THR C C 45 175.500 175.500 174.049 1.451 25449
4326 1 9 . 1 1 45 45 THR CA C 45 62.000 62.000 61.413 0.587 25449
4327 1 9 . 1 1 45 45 THR CB C 45 70.000 70.000 69.625 0.375 25449
4328 1 9 . 1 1 45 45 THR H H 45 7.610 7.610 7.830 -0.220 25449
4329 1 9 . 1 1 46 46 LYS N N 46 115.700 115.700 121.157 -5.457 25449
4330 1 9 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.981 -0.261 25449
4331 1 9 . 1 1 46 46 LYS C C 46 174.600 174.600 173.958 0.642 25449
4332 1 9 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.322 0.278 25449
4333 1 9 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.412 -1.512 25449
4334 1 9 . 1 1 46 46 LYS H H 46 8.460 8.460 7.935 0.525 25449
4335 1 9 . 1 1 47 47 LYS N N 47 117.100 117.100 119.013 -1.913 25449
4336 1 9 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.580 0.100 25449
4337 1 9 . 1 1 47 47 LYS C C 47 176.300 176.300 176.732 -0.432 25449
4338 1 9 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.031 -0.031 25449
4339 1 9 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.534 0.566 25449
4340 1 9 . 1 1 47 47 LYS H H 47 7.610 7.610 7.572 0.038 25449
4341 1 9 . 1 1 48 48 ASN N N 48 117.700 117.700 120.657 -2.957 25449
4342 1 9 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.873 -0.173 25449
4343 1 9 . 1 1 48 48 ASN C C 48 174.000 174.000 175.519 -1.519 25449
4344 1 9 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.639 0.961 25449
4345 1 9 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.218 -1.518 25449
4346 1 9 . 1 1 48 48 ASN H H 48 8.740 8.740 8.745 -0.005 25449
4347 1 9 . 1 1 49 49 ARG N N 49 116.800 116.800 116.687 0.113 25449
4348 1 9 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.989 0.361 25449
4349 1 9 . 1 1 49 49 ARG C C 49 177.500 177.500 176.579 0.921 25449
4350 1 9 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.416 -0.816 25449
4351 1 9 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.120 4.480 25449
4352 1 9 . 1 1 49 49 ARG H H 49 8.530 8.530 8.381 0.149 25449
4353 1 9 . 1 1 50 50 GLY N N 50 108.300 108.300 106.743 1.557 25449
4354 1 9 . 1 1 50 50 GLY C C 50 173.500 173.500 173.396 0.104 25449
4355 1 9 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.375 0.425 25449
4356 1 9 . 1 1 50 50 GLY H H 50 8.900 8.900 8.770 0.130 25449
4357 1 9 . 1 1 51 51 PHE N N 51 113.900 113.900 116.318 -2.418 25449
4358 1 9 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.613 0.857 25449
4359 1 9 . 1 1 51 51 PHE C C 51 172.000 172.000 172.024 -0.024 25449
4360 1 9 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.918 -0.918 25449
4361 1 9 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.314 2.386 25449
4362 1 9 . 1 1 51 51 PHE H H 51 6.910 6.910 7.418 -0.508 25449
4363 1 9 . 1 1 52 52 ALA N N 52 120.500 120.500 125.442 -4.942 25449
4364 1 9 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.597 0.033 25449
4365 1 9 . 1 1 52 52 ALA C C 52 173.900 173.900 174.863 -0.963 25449
4366 1 9 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.746 -0.546 25449
4367 1 9 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.200 2.900 25449
4368 1 9 . 1 1 52 52 ALA H H 52 8.810 8.810 7.514 1.296 25449
4369 1 9 . 1 1 53 53 PHE N N 53 115.000 115.000 118.979 -3.979 25449
4370 1 9 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.766 0.894 25449
4371 1 9 . 1 1 53 53 PHE C C 53 175.600 175.600 174.993 0.607 25449
4372 1 9 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.038 -0.838 25449
4373 1 9 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.785 0.615 25449
4374 1 9 . 1 1 53 53 PHE H H 53 8.730 8.730 8.502 0.228 25449
4375 1 9 . 1 1 54 54 VAL N N 54 122.300 122.300 121.377 0.923 25449
4376 1 9 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.263 -0.163 25449
4377 1 9 . 1 1 54 54 VAL C C 54 173.000 173.000 174.188 -1.188 25449
4378 1 9 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.440 0.260 25449
4379 1 9 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.195 0.205 25449
4380 1 9 . 1 1 54 54 VAL H H 54 9.060 9.060 8.340 0.720 25449
4381 1 9 . 1 1 55 55 GLU N N 55 127.300 127.300 126.527 0.773 25449
4382 1 9 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.702 0.458 25449
4383 1 9 . 1 1 55 55 GLU C C 55 175.900 175.900 175.672 0.228 25449
4384 1 9 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.103 -1.103 25449
4385 1 9 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.625 0.075 25449
4386 1 9 . 1 1 55 55 GLU H H 55 8.860 8.860 8.319 0.541 25449
4387 1 9 . 1 1 56 56 TYR N N 56 127.500 127.500 123.137 4.363 25449
4388 1 9 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.601 -0.081 25449
4389 1 9 . 1 1 56 56 TYR C C 56 175.000 175.000 176.409 -1.409 25449
4390 1 9 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.580 1.120 25449
4391 1 9 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.200 -1.000 25449
4392 1 9 . 1 1 56 56 TYR H H 56 9.470 9.470 8.018 1.452 25449
4393 1 9 . 1 1 57 57 VAL N N 57 119.200 119.200 119.862 -0.662 25449
4394 1 9 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.030 -0.460 25449
4395 1 9 . 1 1 57 57 VAL C C 57 177.000 177.000 175.707 1.293 25449
4396 1 9 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.128 2.172 25449
4397 1 9 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.264 -0.264 25449
4398 1 9 . 1 1 57 57 VAL H H 57 7.800 7.800 8.183 -0.383 25449
4399 1 9 . 1 1 58 58 GLU N N 58 118.500 118.500 119.171 -0.671 25449
4400 1 9 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.573 0.207 25449
4401 1 9 . 1 1 58 58 GLU C C 58 177.500 177.500 176.771 0.729 25449
4402 1 9 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.324 -1.524 25449
4403 1 9 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.261 0.239 25449
4404 1 9 . 1 1 58 58 GLU H H 58 9.530 9.530 8.196 1.334 25449
4405 1 9 . 1 1 59 59 VAL N N 59 125.200 125.200 125.323 -0.123 25449
4406 1 9 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.825 -0.295 25449
4407 1 9 . 1 1 59 59 VAL C C 59 177.600 177.600 177.043 0.557 25449
4408 1 9 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.157 0.942 25449
4409 1 9 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.178 -0.478 25449
4410 1 9 . 1 1 59 59 VAL H H 59 8.650 8.650 8.671 -0.021 25449
4411 1 9 . 1 1 60 60 ASP N N 60 118.500 118.500 119.750 -1.250 25449
4412 1 9 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.486 -0.266 25449
4413 1 9 . 1 1 60 60 ASP C C 60 178.300 178.300 177.961 0.339 25449
4414 1 9 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.364 0.236 25449
4415 1 9 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.242 0.258 25449
4416 1 9 . 1 1 60 60 ASP H H 60 8.970 8.970 8.566 0.404 25449
4417 1 9 . 1 1 61 61 ASP N N 61 119.900 119.900 119.470 0.430 25449
4418 1 9 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.452 -0.092 25449
4419 1 9 . 1 1 61 61 ASP C C 61 176.800 176.800 178.270 -1.470 25449
4420 1 9 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.014 -0.114 25449
4421 1 9 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.595 -0.795 25449
4422 1 9 . 1 1 61 61 ASP H H 61 6.920 6.920 8.547 -1.627 25449
4423 1 9 . 1 1 62 62 ALA N N 62 122.700 122.700 122.432 0.268 25449
4424 1 9 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.319 0.061 25449
4425 1 9 . 1 1 62 62 ALA C C 62 171.600 171.600 179.229 -7.629 25449
4426 1 9 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.297 -0.197 25449
4427 1 9 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.257 -0.057 25449
4428 1 9 . 1 1 62 62 ALA H H 62 6.910 6.910 7.858 -0.948 25449
4429 1 9 . 1 1 63 63 LYS N N 63 116.200 116.200 118.339 -2.139 25449
4430 1 9 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.929 0.261 25449
4431 1 9 . 1 1 63 63 LYS C C 63 179.200 179.200 179.054 0.146 25449
4432 1 9 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.596 -0.296 25449
4433 1 9 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.716 0.884 25449
4434 1 9 . 1 1 63 63 LYS H H 63 8.020 8.020 8.059 -0.039 25449
4435 1 9 . 1 1 64 64 HIS N N 64 117.400 117.400 117.401 -0.001 25449
4436 1 9 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.329 -0.019 25449
4437 1 9 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.269 -1.269 25449
4438 1 9 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.023 -0.923 25449
4439 1 9 . 1 1 64 64 HIS H H 64 7.460 7.460 7.514 -0.054 25449
4440 1 9 . 1 1 65 65 ALA N N 65 123.700 123.700 122.099 1.601 25449
4441 1 9 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.913 -1.743 25449
4442 1 9 . 1 1 65 65 ALA C C 65 178.700 178.700 178.637 0.063 25449
4443 1 9 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.787 0.013 25449
4444 1 9 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.703 0.697 25449
4445 1 9 . 1 1 65 65 ALA H H 65 8.190 8.190 7.499 0.691 25449
4446 1 9 . 1 1 66 66 LEU N N 66 119.800 119.800 118.015 1.785 25449
4447 1 9 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.101 -0.671 25449
4448 1 9 . 1 1 66 66 LEU C C 66 178.700 178.700 178.945 -0.245 25449
4449 1 9 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.585 2.115 25449
4450 1 9 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.833 -0.733 25449
4451 1 9 . 1 1 66 66 LEU H H 66 8.340 8.340 7.429 0.911 25449
4452 1 9 . 1 1 67 67 TYR N N 67 116.200 116.200 119.936 -3.736 25449
4453 1 9 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.110 -0.100 25449
4454 1 9 . 1 1 67 67 TYR C C 67 177.700 177.700 177.654 0.046 25449
4455 1 9 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.175 -1.675 25449
4456 1 9 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.497 -0.397 25449
4457 1 9 . 1 1 67 67 TYR H H 67 7.760 7.760 7.808 -0.048 25449
4458 1 9 . 1 1 68 68 ASN N N 68 113.900 113.900 116.702 -2.802 25449
4459 1 9 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.597 -0.167 25449
4460 1 9 . 1 1 68 68 ASN C C 68 176.400 176.400 176.311 0.089 25449
4461 1 9 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.075 0.525 25449
4462 1 9 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.648 2.752 25449
4463 1 9 . 1 1 68 68 ASN H H 68 7.480 7.480 7.857 -0.377 25449
4464 1 9 . 1 1 69 69 MET N N 69 114.900 114.900 115.074 -0.174 25449
4465 1 9 . 1 1 69 69 MET HA H 69 4.760 4.760 4.622 0.138 25449
4466 1 9 . 1 1 69 69 MET C C 69 177.000 177.000 176.040 0.960 25449
4467 1 9 . 1 1 69 69 MET CA C 69 53.500 53.500 53.685 -0.185 25449
4468 1 9 . 1 1 69 69 MET CB C 69 31.100 31.100 31.987 -0.887 25449
4469 1 9 . 1 1 69 69 MET H H 69 8.310 8.310 7.581 0.729 25449
4470 1 9 . 1 1 70 70 ASN N N 70 117.700 117.700 117.616 0.084 25449
4471 1 9 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.495 -0.125 25449
4472 1 9 . 1 1 70 70 ASN C C 70 176.400 176.400 177.291 -0.891 25449
4473 1 9 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.569 0.531 25449
4474 1 9 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.206 0.494 25449
4475 1 9 . 1 1 70 70 ASN H H 70 7.660 7.660 7.872 -0.212 25449
4476 1 9 . 1 1 71 71 ASN N N 71 121.500 121.500 118.787 2.713 25449
4477 1 9 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.507 0.003 25449
4478 1 9 . 1 1 71 71 ASN C C 71 173.300 173.300 176.033 -2.733 25449
4479 1 9 . 1 1 71 71 ASN CA C 71 55.800 55.800 54.072 1.728 25449
4480 1 9 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.540 -0.340 25449
4481 1 9 . 1 1 71 71 ASN H H 71 8.600 8.600 8.282 0.318 25449
4482 1 9 . 1 1 72 72 PHE N N 72 122.300 122.300 123.974 -1.674 25449
4483 1 9 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.373 -0.183 25449
4484 1 9 . 1 1 72 72 PHE C C 72 174.100 174.100 174.464 -0.364 25449
4485 1 9 . 1 1 72 72 PHE CA C 72 58.700 58.700 58.087 0.613 25449
4486 1 9 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.905 1.395 25449
4487 1 9 . 1 1 72 72 PHE H H 72 7.870 7.870 7.684 0.186 25449
4488 1 9 . 1 1 73 73 GLU N N 73 126.100 126.100 127.334 -1.234 25449
4489 1 9 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.170 0.060 25449
4490 1 9 . 1 1 73 73 GLU C C 73 173.000 173.000 174.201 -1.201 25449
4491 1 9 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.444 1.156 25449
4492 1 9 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.936 -0.636 25449
4493 1 9 . 1 1 73 73 GLU H H 73 7.690 7.690 7.972 -0.282 25449
4494 1 9 . 1 1 74 74 LEU N N 74 128.900 128.900 123.366 5.534 25449
4495 1 9 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.339 0.181 25449
4496 1 9 . 1 1 74 74 LEU C C 74 175.500 175.500 175.563 -0.063 25449
4497 1 9 . 1 1 74 74 LEU CA C 74 53.300 53.300 55.186 -1.886 25449
4498 1 9 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.938 0.662 25449
4499 1 9 . 1 1 74 74 LEU H H 74 8.620 8.620 8.407 0.213 25449
4500 1 9 . 1 1 75 75 ASN N N 75 126.800 126.800 122.907 3.893 25449
4501 1 9 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.435 -0.225 25449
4502 1 9 . 1 1 75 75 ASN C C 75 175.600 175.600 175.526 0.074 25449
4503 1 9 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.595 0.305 25449
4504 1 9 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.605 -0.705 25449
4505 1 9 . 1 1 75 75 ASN H H 75 9.520 9.520 8.875 0.645 25449
4506 1 9 . 1 1 76 76 GLY N N 76 102.300 102.300 100.823 1.477 25449
4507 1 9 . 1 1 76 76 GLY C C 76 173.600 173.600 173.382 0.218 25449
4508 1 9 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.188 0.112 25449
4509 1 9 . 1 1 76 76 GLY H H 76 8.500 8.500 8.430 0.070 25449
4510 1 9 . 1 1 77 77 LYS N N 77 120.800 120.800 118.602 2.198 25449
4511 1 9 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.525 0.045 25449
4512 1 9 . 1 1 77 77 LYS C C 77 175.100 175.100 174.153 0.947 25449
4513 1 9 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.539 -0.340 25449
4514 1 9 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.145 -0.645 25449
4515 1 9 . 1 1 77 77 LYS H H 77 7.580 7.580 7.489 0.091 25449
4516 1 9 . 1 1 78 78 ARG N N 78 123.300 123.300 122.240 1.060 25449
4517 1 9 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.472 0.008 25449
4518 1 9 . 1 1 78 78 ARG C C 78 176.600 176.600 175.846 0.754 25449
4519 1 9 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.461 -0.161 25449
4520 1 9 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.190 -0.890 25449
4521 1 9 . 1 1 78 78 ARG H H 78 8.580 8.580 8.420 0.160 25449
4522 1 9 . 1 1 79 79 ILE N N 79 120.100 120.100 121.202 -1.102 25449
4523 1 9 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.314 0.386 25449
4524 1 9 . 1 1 79 79 ILE C C 79 175.200 175.200 175.375 -0.175 25449
4525 1 9 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.265 -0.265 25449
4526 1 9 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.966 0.434 25449
4527 1 9 . 1 1 79 79 ILE H H 79 8.450 8.450 8.509 -0.059 25449
4528 1 9 . 1 1 80 80 HIS N N 80 119.900 119.900 124.384 -4.484 25449
4529 1 9 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.709 0.481 25449
4530 1 9 . 1 1 80 80 HIS C C 80 173.600 173.600 174.363 -0.763 25449
4531 1 9 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.319 -1.518 25449
4532 1 9 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.570 0.730 25449
4533 1 9 . 1 1 80 80 HIS H H 80 8.580 8.580 8.323 0.257 25449
4534 1 9 . 1 1 81 81 VAL N N 81 123.800 123.800 125.852 -2.052 25449
4535 1 9 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.705 0.575 25449
4536 1 9 . 1 1 81 81 VAL C C 81 173.600 173.600 174.655 -1.055 25449
4537 1 9 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.119 -0.919 25449
4538 1 9 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.116 1.884 25449
4539 1 9 . 1 1 81 81 VAL H H 81 8.650 8.650 8.496 0.154 25449
4540 1 9 . 1 1 82 82 ASN N N 82 121.100 121.100 123.441 -2.341 25449
4541 1 9 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.095 -0.345 25449
4542 1 9 . 1 1 82 82 ASN C C 82 174.000 174.000 173.230 0.770 25449
4543 1 9 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.951 -0.051 25449
4544 1 9 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.602 2.298 25449
4545 1 9 . 1 1 82 82 ASN H H 82 8.890 8.890 8.015 0.875 25449
4546 1 9 . 1 1 83 83 TYR N N 83 120.400 120.400 119.540 0.860 25449
4547 1 9 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.785 0.015 25449
4548 1 9 . 1 1 83 83 TYR C C 83 177.100 177.100 175.025 2.075 25449
4549 1 9 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.599 0.801 25449
4550 1 9 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.883 -1.183 25449
4551 1 9 . 1 1 83 83 TYR H H 83 8.480 8.480 8.603 -0.123 25449
4552 1 9 . 1 1 84 84 SER N N 84 118.000 118.000 116.101 1.899 25449
4553 1 9 . 1 1 84 84 SER HA H 84 4.520 4.520 4.262 0.258 25449
4554 1 9 . 1 1 84 84 SER C C 84 174.100 174.100 172.983 1.117 25449
4555 1 9 . 1 1 84 84 SER CA C 84 57.700 57.700 56.632 1.068 25449
4556 1 9 . 1 1 84 84 SER CB C 84 64.300 64.300 64.770 -0.470 25449
4557 1 9 . 1 1 84 84 SER H H 84 9.040 9.040 7.514 1.526 25449
4558 1 9 . 1 1 85 85 LYS N N 85 125.300 125.300 121.847 3.453 25449
4559 1 9 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.449 -0.009 25449
4560 1 9 . 1 1 85 85 LYS C C 85 175.600 175.600 175.343 0.257 25449
4561 1 9 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.337 0.963 25449
4562 1 9 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.910 0.790 25449
4563 1 9 . 1 1 85 85 LYS H H 85 8.410 8.410 8.241 0.169 25449
4564 1 10 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.123 -1.523 25449
4565 1 10 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.590 -0.180 25449
4566 1 10 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.707 -1.707 25449
4567 1 10 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.112 0.088 25449
4568 1 10 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.847 0.053 25449
4569 1 10 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.378 0.292 25449
4570 1 10 . 1 1 0 0 HIS N N 0 121.200 121.200 119.384 1.816 25449
4571 1 10 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.300 0.290 25449
4572 1 10 . 1 1 0 0 HIS C C 0 174.800 174.800 173.309 1.491 25449
4573 1 10 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.187 -0.087 25449
4574 1 10 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.659 0.241 25449
4575 1 10 . 1 1 0 0 HIS H H 0 8.730 8.730 8.534 0.196 25449
4576 1 10 . 1 1 1 1 MET N N 1 121.800 121.800 123.728 -1.928 25449
4577 1 10 . 1 1 1 1 MET HA H 1 4.370 4.370 4.348 0.022 25449
4578 1 10 . 1 1 1 1 MET C C 1 176.300 176.300 174.203 2.097 25449
4579 1 10 . 1 1 1 1 MET CA C 1 55.700 55.700 54.770 0.930 25449
4580 1 10 . 1 1 1 1 MET CB C 1 32.800 32.800 35.957 -3.157 25449
4581 1 10 . 1 1 1 1 MET H H 1 8.450 8.450 8.147 0.303 25449
4582 1 10 . 1 1 2 2 SER N N 2 116.700 116.700 116.104 0.596 25449
4583 1 10 . 1 1 2 2 SER HA H 2 4.370 4.370 4.456 -0.086 25449
4584 1 10 . 1 1 2 2 SER C C 2 174.200 174.200 173.858 0.342 25449
4585 1 10 . 1 1 2 2 SER CA C 2 58.400 58.400 58.320 0.080 25449
4586 1 10 . 1 1 2 2 SER CB C 2 63.800 63.800 63.605 0.195 25449
4587 1 10 . 1 1 2 2 SER H H 2 8.410 8.410 8.342 0.068 25449
4588 1 10 . 1 1 3 3 ASP N N 3 122.100 122.100 125.175 -3.075 25449
4589 1 10 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.440 0.110 25449
4590 1 10 . 1 1 3 3 ASP C C 3 176.100 176.100 177.091 -0.991 25449
4591 1 10 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.129 -1.629 25449
4592 1 10 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.490 -0.290 25449
4593 1 10 . 1 1 3 3 ASP H H 3 8.340 8.340 8.848 -0.508 25449
4594 1 10 . 1 1 4 4 ASN N N 4 119.100 119.100 115.065 4.035 25449
4595 1 10 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.280 0.300 25449
4596 1 10 . 1 1 4 4 ASN C C 4 174.900 174.900 174.644 0.256 25449
4597 1 10 . 1 1 4 4 ASN CA C 4 53.700 53.700 54.366 -0.666 25449
4598 1 10 . 1 1 4 4 ASN CB C 4 38.900 38.900 36.857 2.043 25449
4599 1 10 . 1 1 4 4 ASN H H 4 8.420 8.420 7.933 0.487 25449
4600 1 10 . 1 1 5 5 ASN N N 5 118.400 118.400 119.281 -0.881 25449
4601 1 10 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.525 0.015 25449
4602 1 10 . 1 1 5 5 ASN C C 5 173.900 173.900 173.819 0.081 25449
4603 1 10 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.110 0.090 25449
4604 1 10 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.955 0.745 25449
4605 1 10 . 1 1 5 5 ASN H H 5 8.340 8.340 8.372 -0.032 25449
4606 1 10 . 1 1 6 6 ALA N N 6 122.100 122.100 123.261 -1.161 25449
4607 1 10 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.134 -1.394 25449
4608 1 10 . 1 1 6 6 ALA C C 6 177.000 177.000 176.517 0.483 25449
4609 1 10 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.137 0.163 25449
4610 1 10 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.105 1.895 25449
4611 1 10 . 1 1 6 6 ALA H H 6 7.590 7.590 7.239 0.351 25449
4612 1 10 . 1 1 7 7 THR N N 7 112.700 112.700 118.660 -5.960 25449
4613 1 10 . 1 1 7 7 THR HA H 7 4.390 4.390 4.328 0.062 25449
4614 1 10 . 1 1 7 7 THR C C 7 171.700 171.700 175.157 -3.457 25449
4615 1 10 . 1 1 7 7 THR CA C 7 59.800 59.800 61.642 -1.842 25449
4616 1 10 . 1 1 7 7 THR CB C 7 70.600 70.600 70.455 0.145 25449
4617 1 10 . 1 1 7 7 THR H H 7 6.840 6.840 7.780 -0.940 25449
4618 1 10 . 1 1 8 8 ASP N N 8 114.600 114.600 123.337 -8.737 25449
4619 1 10 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.309 0.181 25449
4620 1 10 . 1 1 8 8 ASP C C 8 174.300 174.300 173.955 0.345 25449
4621 1 10 . 1 1 8 8 ASP CA C 8 53.500 53.500 56.051 -2.551 25449
4622 1 10 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.410 -0.610 25449
4623 1 10 . 1 1 8 8 ASP H H 8 8.170 8.170 8.854 -0.683 25449
4624 1 10 . 1 1 9 9 ILE N N 9 117.800 117.800 118.928 -1.128 25449
4625 1 10 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.290 -0.480 25449
4626 1 10 . 1 1 9 9 ILE C C 9 174.700 174.700 174.135 0.565 25449
4627 1 10 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.035 0.565 25449
4628 1 10 . 1 1 9 9 ILE CB C 9 40.300 40.300 41.536 -1.236 25449
4629 1 10 . 1 1 9 9 ILE H H 9 7.890 7.890 7.563 0.327 25449
4630 1 10 . 1 1 10 10 LEU N N 10 125.300 125.300 127.072 -1.772 25449
4631 1 10 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.906 0.054 25449
4632 1 10 . 1 1 10 10 LEU C C 10 176.100 176.100 175.298 0.802 25449
4633 1 10 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.221 -1.321 25449
4634 1 10 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.631 -1.531 25449
4635 1 10 . 1 1 10 10 LEU H H 10 9.370 9.370 8.329 1.041 25449
4636 1 10 . 1 1 11 11 PHE N N 11 124.300 124.300 127.112 -2.812 25449
4637 1 10 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.815 -0.145 25449
4638 1 10 . 1 1 11 11 PHE C C 11 173.400 173.400 174.039 -0.639 25449
4639 1 10 . 1 1 11 11 PHE CA C 11 57.000 57.000 58.040 -1.040 25449
4640 1 10 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.897 -0.197 25449
4641 1 10 . 1 1 11 11 PHE H H 11 9.310 9.310 8.649 0.661 25449
4642 1 10 . 1 1 12 12 VAL N N 12 128.300 128.300 125.374 2.926 25449
4643 1 10 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.234 0.186 25449
4644 1 10 . 1 1 12 12 VAL C C 12 173.900 173.900 174.552 -0.652 25449
4645 1 10 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.422 -0.222 25449
4646 1 10 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.291 -2.191 25449
4647 1 10 . 1 1 12 12 VAL H H 12 8.380 8.380 7.750 0.630 25449
4648 1 10 . 1 1 13 13 GLY N N 13 111.800 111.800 110.540 1.260 25449
4649 1 10 . 1 1 13 13 GLY C C 13 173.800 173.800 173.841 -0.041 25449
4650 1 10 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.631 -0.231 25449
4651 1 10 . 1 1 13 13 GLY H H 13 9.150 9.150 8.386 0.764 25449
4652 1 10 . 1 1 14 14 GLY N N 14 107.600 107.600 107.250 0.350 25449
4653 1 10 . 1 1 14 14 GLY C C 14 175.400 175.400 173.738 1.662 25449
4654 1 10 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.916 0.884 25449
4655 1 10 . 1 1 14 14 GLY H H 14 8.260 8.260 8.279 -0.019 25449
4656 1 10 . 1 1 15 15 ILE N N 15 111.100 111.100 122.768 -11.668 25449
4657 1 10 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.190 -0.150 25449
4658 1 10 . 1 1 15 15 ILE C C 15 175.500 175.500 175.286 0.214 25449
4659 1 10 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.129 1.371 25449
4660 1 10 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.095 -1.595 25449
4661 1 10 . 1 1 15 15 ILE H H 15 6.930 6.930 8.091 -1.161 25449
4662 1 10 . 1 1 16 16 ASP N N 16 122.800 122.800 122.478 0.322 25449
4663 1 10 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.468 0.112 25449
4664 1 10 . 1 1 16 16 ASP C C 16 177.200 177.200 176.899 0.301 25449
4665 1 10 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.387 -0.687 25449
4666 1 10 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.586 -0.086 25449
4667 1 10 . 1 1 16 16 ASP H H 16 8.320 8.320 8.712 -0.392 25449
4668 1 10 . 1 1 17 17 GLU N N 17 119.600 119.600 119.752 -0.152 25449
4669 1 10 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.271 -0.131 25449
4670 1 10 . 1 1 17 17 GLU C C 17 176.800 176.800 176.508 0.292 25449
4671 1 10 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.290 1.310 25449
4672 1 10 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.004 0.796 25449
4673 1 10 . 1 1 17 17 GLU H H 17 8.830 8.830 8.698 0.132 25449
4674 1 10 . 1 1 18 18 THR N N 18 111.300 111.300 115.652 -4.352 25449
4675 1 10 . 1 1 18 18 THR HA H 18 4.250 4.250 4.518 -0.268 25449
4676 1 10 . 1 1 18 18 THR C C 18 175.200 175.200 173.860 1.340 25449
4677 1 10 . 1 1 18 18 THR CA C 18 62.600 62.600 61.421 1.179 25449
4678 1 10 . 1 1 18 18 THR CB C 18 69.600 69.600 68.996 0.604 25449
4679 1 10 . 1 1 18 18 THR H H 18 8.740 8.740 7.853 0.887 25449
4680 1 10 . 1 1 19 19 ILE N N 19 123.300 123.300 117.448 5.852 25449
4681 1 10 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.358 -0.478 25449
4682 1 10 . 1 1 19 19 ILE C C 19 174.300 174.300 174.609 -0.309 25449
4683 1 10 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.350 0.550 25449
4684 1 10 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.657 -3.057 25449
4685 1 10 . 1 1 19 19 ILE H H 19 7.220 7.220 7.344 -0.124 25449
4686 1 10 . 1 1 20 20 ASP N N 20 125.600 125.600 122.030 3.570 25449
4687 1 10 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.759 -0.119 25449
4688 1 10 . 1 1 20 20 ASP C C 20 175.300 175.300 176.426 -1.126 25449
4689 1 10 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.181 -1.681 25449
4690 1 10 . 1 1 20 20 ASP CB C 20 43.000 43.000 42.784 0.216 25449
4691 1 10 . 1 1 20 20 ASP H H 20 7.790 7.790 8.052 -0.262 25449
4692 1 10 . 1 1 21 21 GLU N N 21 118.400 118.400 121.883 -3.483 25449
4693 1 10 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.979 -0.349 25449
4694 1 10 . 1 1 21 21 GLU C C 21 177.900 177.900 178.325 -0.425 25449
4695 1 10 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.073 0.827 25449
4696 1 10 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.789 -0.589 25449
4697 1 10 . 1 1 21 21 GLU H H 21 9.220 9.220 8.920 0.300 25449
4698 1 10 . 1 1 22 22 LYS N N 22 119.700 119.700 117.694 2.006 25449
4699 1 10 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.232 -0.172 25449
4700 1 10 . 1 1 22 22 LYS C C 22 178.500 178.500 179.044 -0.544 25449
4701 1 10 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.780 0.520 25449
4702 1 10 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.762 0.038 25449
4703 1 10 . 1 1 22 22 LYS H H 22 8.040 8.040 8.339 -0.299 25449
4704 1 10 . 1 1 23 23 SER N N 23 114.900 114.900 116.376 -1.476 25449
4705 1 10 . 1 1 23 23 SER HA H 23 4.300 4.300 4.273 0.027 25449
4706 1 10 . 1 1 23 23 SER C C 23 177.600 177.600 176.314 1.286 25449
4707 1 10 . 1 1 23 23 SER CA C 23 61.800 61.800 61.104 0.696 25449
4708 1 10 . 1 1 23 23 SER CB C 23 62.900 62.900 62.835 0.065 25449
4709 1 10 . 1 1 23 23 SER H H 23 8.240 8.240 8.091 0.149 25449
4710 1 10 . 1 1 24 24 LEU N N 24 118.800 118.800 121.464 -2.664 25449
4711 1 10 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.173 0.007 25449
4712 1 10 . 1 1 24 24 LEU C C 24 178.700 178.700 179.022 -0.322 25449
4713 1 10 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.944 0.355 25449
4714 1 10 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.432 0.668 25449
4715 1 10 . 1 1 24 24 LEU H H 24 7.750 7.750 7.575 0.175 25449
4716 1 10 . 1 1 25 25 TYR N N 25 123.200 123.200 121.161 2.039 25449
4717 1 10 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.110 -0.480 25449
4718 1 10 . 1 1 25 25 TYR C C 25 178.600 178.600 177.401 1.199 25449
4719 1 10 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.583 1.617 25449
4720 1 10 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.606 -0.406 25449
4721 1 10 . 1 1 25 25 TYR H H 25 8.970 8.970 7.593 1.377 25449
4722 1 10 . 1 1 26 26 ASP N N 26 119.800 119.800 118.778 1.022 25449
4723 1 10 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.514 -0.244 25449
4724 1 10 . 1 1 26 26 ASP C C 26 177.900 177.900 178.393 -0.493 25449
4725 1 10 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.873 -0.173 25449
4726 1 10 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.018 -1.018 25449
4727 1 10 . 1 1 26 26 ASP H H 26 8.510 8.510 7.798 0.712 25449
4728 1 10 . 1 1 27 27 ILE N N 27 114.700 114.700 119.260 -4.560 25449
4729 1 10 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.866 0.094 25449
4730 1 10 . 1 1 27 27 ILE C C 27 177.700 177.700 177.812 -0.112 25449
4731 1 10 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.983 -1.683 25449
4732 1 10 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.416 0.584 25449
4733 1 10 . 1 1 27 27 ILE H H 27 7.320 7.320 7.578 -0.258 25449
4734 1 10 . 1 1 28 28 PHE N N 28 116.900 116.900 116.910 -0.010 25449
4735 1 10 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.603 -0.233 25449
4736 1 10 . 1 1 28 28 PHE C C 28 179.900 179.900 177.007 2.893 25449
4737 1 10 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.921 3.379 25449
4738 1 10 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.564 -1.264 25449
4739 1 10 . 1 1 28 28 PHE H H 28 8.650 8.650 8.164 0.486 25449
4740 1 10 . 1 1 29 29 SER N N 29 120.100 120.100 113.255 6.845 25449
4741 1 10 . 1 1 29 29 SER HA H 29 4.410 4.410 4.653 -0.243 25449
4742 1 10 . 1 1 29 29 SER C C 29 175.600 175.600 175.360 0.240 25449
4743 1 10 . 1 1 29 29 SER CA C 29 61.300 61.300 59.741 1.559 25449
4744 1 10 . 1 1 29 29 SER CB C 29 62.200 62.200 63.214 -1.014 25449
4745 1 10 . 1 1 29 29 SER H H 29 8.880 8.880 7.853 1.027 25449
4746 1 10 . 1 1 30 30 SER N N 30 116.200 116.200 116.955 -0.755 25449
4747 1 10 . 1 1 30 30 SER HA H 30 3.940 3.940 4.299 -0.359 25449
4748 1 10 . 1 1 30 30 SER C C 30 174.900 174.900 175.656 -0.756 25449
4749 1 10 . 1 1 30 30 SER CA C 30 60.400 60.400 60.647 -0.247 25449
4750 1 10 . 1 1 30 30 SER CB C 30 62.400 62.400 63.181 -0.781 25449
4751 1 10 . 1 1 30 30 SER H H 30 7.270 7.270 8.086 -0.816 25449
4752 1 10 . 1 1 31 31 PHE N N 31 115.600 115.600 121.564 -5.964 25449
4753 1 10 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.572 -0.292 25449
4754 1 10 . 1 1 31 31 PHE C C 31 174.100 174.100 176.092 -1.992 25449
4755 1 10 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.200 -0.300 25449
4756 1 10 . 1 1 31 31 PHE CB C 31 39.300 39.300 39.998 -0.698 25449
4757 1 10 . 1 1 31 31 PHE H H 31 6.980 6.980 8.077 -1.097 25449
4758 1 10 . 1 1 32 32 GLY N N 32 104.900 104.900 107.268 -2.368 25449
4759 1 10 . 1 1 32 32 GLY C C 32 171.600 171.600 172.736 -1.136 25449
4760 1 10 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.594 -0.294 25449
4761 1 10 . 1 1 32 32 GLY H H 32 7.300 7.300 7.604 -0.304 25449
4762 1 10 . 1 1 33 33 ASP N N 33 116.100 116.100 126.415 -10.315 25449
4763 1 10 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.619 -0.109 25449
4764 1 10 . 1 1 33 33 ASP C C 33 176.800 176.800 174.753 2.047 25449
4765 1 10 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.253 0.147 25449
4766 1 10 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.170 -1.570 25449
4767 1 10 . 1 1 33 33 ASP H H 33 8.120 8.120 8.470 -0.350 25449
4768 1 10 . 1 1 34 34 ILE N N 34 126.400 126.400 119.533 6.867 25449
4769 1 10 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.070 -0.220 25449
4770 1 10 . 1 1 34 34 ILE C C 34 176.200 176.200 176.206 -0.006 25449
4771 1 10 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.430 1.770 25449
4772 1 10 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.473 0.427 25449
4773 1 10 . 1 1 34 34 ILE H H 34 8.670 8.670 8.373 0.297 25449
4774 1 10 . 1 1 35 35 ARG N N 35 128.900 128.900 125.007 3.893 25449
4775 1 10 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.305 -0.145 25449
4776 1 10 . 1 1 35 35 ARG C C 35 175.600 175.600 176.174 -0.574 25449
4777 1 10 . 1 1 35 35 ARG CA C 35 57.500 57.500 55.719 1.781 25449
4778 1 10 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.065 0.635 25449
4779 1 10 . 1 1 35 35 ARG H H 35 9.320 9.320 8.523 0.797 25449
4780 1 10 . 1 1 36 36 ASN N N 36 114.300 114.300 115.070 -0.770 25449
4781 1 10 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.785 -0.075 25449
4782 1 10 . 1 1 36 36 ASN C C 36 172.000 172.000 172.787 -0.787 25449
4783 1 10 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.219 0.281 25449
4784 1 10 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.721 1.879 25449
4785 1 10 . 1 1 36 36 ASN H H 36 7.620 7.620 8.009 -0.389 25449
4786 1 10 . 1 1 37 37 ILE N N 37 122.700 122.700 121.124 1.576 25449
4787 1 10 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.372 0.398 25449
4788 1 10 . 1 1 37 37 ILE C C 37 173.300 173.300 174.337 -1.037 25449
4789 1 10 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.525 -0.925 25449
4790 1 10 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.388 -0.188 25449
4791 1 10 . 1 1 37 37 ILE H H 37 8.030 8.030 8.473 -0.443 25449
4792 1 10 . 1 1 38 38 GLU N N 38 126.700 126.700 129.177 -2.477 25449
4793 1 10 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.716 -0.056 25449
4794 1 10 . 1 1 38 38 GLU C C 38 174.800 174.800 173.881 0.919 25449
4795 1 10 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.690 -1.290 25449
4796 1 10 . 1 1 38 38 GLU CB C 38 33.400 33.400 32.498 0.902 25449
4797 1 10 . 1 1 38 38 GLU H H 38 8.870 8.870 8.574 0.296 25449
4798 1 10 . 1 1 39 39 VAL N N 39 126.400 126.400 126.999 -0.599 25449
4799 1 10 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.812 0.888 25449
4800 1 10 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.372 -0.772 25449
4801 1 10 . 1 1 39 39 VAL H H 39 8.970 8.970 8.309 0.661 25449
4802 1 10 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.418 -0.188 25449
4803 1 10 . 1 1 40 40 PRO C C 40 176.300 176.300 175.266 1.034 25449
4804 1 10 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.717 0.583 25449
4805 1 10 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.212 0.288 25449
4806 1 10 . 1 1 41 41 LEU N N 41 120.700 120.700 122.201 -1.501 25449
4807 1 10 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.419 0.101 25449
4808 1 10 . 1 1 41 41 LEU C C 41 177.900 177.900 175.389 2.511 25449
4809 1 10 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.164 -0.064 25449
4810 1 10 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.990 -1.690 25449
4811 1 10 . 1 1 41 41 LEU H H 41 8.520 8.520 8.133 0.387 25449
4812 1 10 . 1 1 42 42 ASN N N 42 121.400 121.400 122.238 -0.838 25449
4813 1 10 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.881 -0.321 25449
4814 1 10 . 1 1 42 42 ASN C C 42 176.700 176.700 176.030 0.670 25449
4815 1 10 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.468 0.432 25449
4816 1 10 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.728 -0.728 25449
4817 1 10 . 1 1 42 42 ASN H H 42 8.740 8.740 8.639 0.101 25449
4818 1 10 . 1 1 43 43 MET N N 43 125.500 125.500 125.063 0.437 25449
4819 1 10 . 1 1 43 43 MET HA H 43 4.210 4.210 4.424 -0.214 25449
4820 1 10 . 1 1 43 43 MET C C 43 177.200 177.200 176.898 0.302 25449
4821 1 10 . 1 1 43 43 MET CA C 43 57.100 57.100 57.079 0.021 25449
4822 1 10 . 1 1 43 43 MET CB C 43 31.600 31.600 32.066 -0.466 25449
4823 1 10 . 1 1 43 43 MET H H 43 9.080 9.080 9.091 -0.011 25449
4824 1 10 . 1 1 44 44 THR N N 44 114.400 114.400 114.252 0.148 25449
4825 1 10 . 1 1 44 44 THR HA H 44 4.160 4.160 4.342 -0.182 25449
4826 1 10 . 1 1 44 44 THR C C 44 175.900 175.900 176.008 -0.108 25449
4827 1 10 . 1 1 44 44 THR CA C 44 65.200 65.200 64.913 0.287 25449
4828 1 10 . 1 1 44 44 THR CB C 44 68.700 68.700 69.245 -0.545 25449
4829 1 10 . 1 1 44 44 THR H H 44 8.590 8.590 8.010 0.580 25449
4830 1 10 . 1 1 45 45 THR N N 45 110.300 110.300 114.093 -3.793 25449
4831 1 10 . 1 1 45 45 THR HA H 45 4.160 4.160 4.340 -0.180 25449
4832 1 10 . 1 1 45 45 THR C C 45 175.500 175.500 173.961 1.539 25449
4833 1 10 . 1 1 45 45 THR CA C 45 62.000 62.000 61.431 0.569 25449
4834 1 10 . 1 1 45 45 THR CB C 45 70.000 70.000 69.546 0.454 25449
4835 1 10 . 1 1 45 45 THR H H 45 7.610 7.610 7.645 -0.035 25449
4836 1 10 . 1 1 46 46 LYS N N 46 115.700 115.700 121.653 -5.953 25449
4837 1 10 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.931 -0.211 25449
4838 1 10 . 1 1 46 46 LYS C C 46 174.600 174.600 173.783 0.817 25449
4839 1 10 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.320 0.280 25449
4840 1 10 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.713 -1.813 25449
4841 1 10 . 1 1 46 46 LYS H H 46 8.460 8.460 8.148 0.312 25449
4842 1 10 . 1 1 47 47 LYS N N 47 117.100 117.100 119.813 -2.713 25449
4843 1 10 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.570 0.110 25449
4844 1 10 . 1 1 47 47 LYS C C 47 176.300 176.300 176.669 -0.369 25449
4845 1 10 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.840 0.160 25449
4846 1 10 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.865 1.235 25449
4847 1 10 . 1 1 47 47 LYS H H 47 7.610 7.610 7.808 -0.198 25449
4848 1 10 . 1 1 48 48 ASN N N 48 117.700 117.700 120.989 -3.289 25449
4849 1 10 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.762 -0.062 25449
4850 1 10 . 1 1 48 48 ASN C C 48 174.000 174.000 175.493 -1.493 25449
4851 1 10 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.831 0.769 25449
4852 1 10 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.183 -1.483 25449
4853 1 10 . 1 1 48 48 ASN H H 48 8.740 8.740 8.730 0.010 25449
4854 1 10 . 1 1 49 49 ARG N N 49 116.800 116.800 116.581 0.219 25449
4855 1 10 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.971 0.379 25449
4856 1 10 . 1 1 49 49 ARG C C 49 177.500 177.500 176.537 0.963 25449
4857 1 10 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.407 -0.807 25449
4858 1 10 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.105 4.495 25449
4859 1 10 . 1 1 49 49 ARG H H 49 8.530 8.530 8.364 0.166 25449
4860 1 10 . 1 1 50 50 GLY N N 50 108.300 108.300 106.167 2.133 25449
4861 1 10 . 1 1 50 50 GLY C C 50 173.500 173.500 173.310 0.190 25449
4862 1 10 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.593 0.207 25449
4863 1 10 . 1 1 50 50 GLY H H 50 8.900 8.900 8.692 0.208 25449
4864 1 10 . 1 1 51 51 PHE N N 51 113.900 113.900 116.126 -2.226 25449
4865 1 10 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.746 0.724 25449
4866 1 10 . 1 1 51 51 PHE C C 51 172.000 172.000 172.357 -0.357 25449
4867 1 10 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.689 -0.689 25449
4868 1 10 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.846 1.854 25449
4869 1 10 . 1 1 51 51 PHE H H 51 6.910 6.910 7.323 -0.413 25449
4870 1 10 . 1 1 52 52 ALA N N 52 120.500 120.500 125.339 -4.839 25449
4871 1 10 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.359 0.271 25449
4872 1 10 . 1 1 52 52 ALA C C 52 173.900 173.900 174.567 -0.667 25449
4873 1 10 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.448 -0.248 25449
4874 1 10 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.395 2.705 25449
4875 1 10 . 1 1 52 52 ALA H H 52 8.810 8.810 7.880 0.930 25449
4876 1 10 . 1 1 53 53 PHE N N 53 115.000 115.000 119.407 -4.407 25449
4877 1 10 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.866 0.794 25449
4878 1 10 . 1 1 53 53 PHE C C 53 175.600 175.600 175.015 0.585 25449
4879 1 10 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.905 0.295 25449
4880 1 10 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.538 0.862 25449
4881 1 10 . 1 1 53 53 PHE H H 53 8.730 8.730 8.239 0.491 25449
4882 1 10 . 1 1 54 54 VAL N N 54 122.300 122.300 121.933 0.367 25449
4883 1 10 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.269 -0.169 25449
4884 1 10 . 1 1 54 54 VAL C C 54 173.000 173.000 174.264 -1.264 25449
4885 1 10 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.493 0.207 25449
4886 1 10 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.616 -0.216 25449
4887 1 10 . 1 1 54 54 VAL H H 54 9.060 9.060 8.468 0.592 25449
4888 1 10 . 1 1 55 55 GLU N N 55 127.300 127.300 126.685 0.615 25449
4889 1 10 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.707 0.453 25449
4890 1 10 . 1 1 55 55 GLU C C 55 175.900 175.900 175.544 0.356 25449
4891 1 10 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.781 -0.781 25449
4892 1 10 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.617 0.083 25449
4893 1 10 . 1 1 55 55 GLU H H 55 8.860 8.860 8.256 0.604 25449
4894 1 10 . 1 1 56 56 TYR N N 56 127.500 127.500 123.677 3.823 25449
4895 1 10 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.505 0.015 25449
4896 1 10 . 1 1 56 56 TYR C C 56 175.000 175.000 175.818 -0.818 25449
4897 1 10 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.154 0.546 25449
4898 1 10 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.495 -0.294 25449
4899 1 10 . 1 1 56 56 TYR H H 56 9.470 9.470 8.047 1.423 25449
4900 1 10 . 1 1 57 57 VAL N N 57 119.200 119.200 120.902 -1.702 25449
4901 1 10 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.953 -0.383 25449
4902 1 10 . 1 1 57 57 VAL C C 57 177.000 177.000 176.441 0.559 25449
4903 1 10 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.859 1.441 25449
4904 1 10 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.325 -0.325 25449
4905 1 10 . 1 1 57 57 VAL H H 57 7.800 7.800 7.890 -0.090 25449
4906 1 10 . 1 1 58 58 GLU N N 58 118.500 118.500 117.284 1.216 25449
4907 1 10 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.658 0.122 25449
4908 1 10 . 1 1 58 58 GLU C C 58 177.500 177.500 177.442 0.058 25449
4909 1 10 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.470 -1.670 25449
4910 1 10 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.427 -0.927 25449
4911 1 10 . 1 1 58 58 GLU H H 58 9.530 9.530 8.158 1.372 25449
4912 1 10 . 1 1 59 59 VAL N N 59 125.200 125.200 121.041 4.159 25449
4913 1 10 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.987 -0.457 25449
4914 1 10 . 1 1 59 59 VAL C C 59 177.600 177.600 176.967 0.633 25449
4915 1 10 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.302 0.798 25449
4916 1 10 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.482 -0.782 25449
4917 1 10 . 1 1 59 59 VAL H H 59 8.650 8.650 8.531 0.119 25449
4918 1 10 . 1 1 60 60 ASP N N 60 118.500 118.500 121.258 -2.758 25449
4919 1 10 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.374 -0.154 25449
4920 1 10 . 1 1 60 60 ASP C C 60 178.300 178.300 177.863 0.437 25449
4921 1 10 . 1 1 60 60 ASP CA C 60 57.600 57.600 58.345 -0.745 25449
4922 1 10 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.052 0.448 25449
4923 1 10 . 1 1 60 60 ASP H H 60 8.970 8.970 8.583 0.387 25449
4924 1 10 . 1 1 61 61 ASP N N 61 119.900 119.900 119.559 0.341 25449
4925 1 10 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.419 -0.059 25449
4926 1 10 . 1 1 61 61 ASP C C 61 176.800 176.800 178.030 -1.230 25449
4927 1 10 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.688 0.212 25449
4928 1 10 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.473 -0.673 25449
4929 1 10 . 1 1 61 61 ASP H H 61 6.920 6.920 8.556 -1.636 25449
4930 1 10 . 1 1 62 62 ALA N N 62 122.700 122.700 122.560 0.140 25449
4931 1 10 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.257 0.123 25449
4932 1 10 . 1 1 62 62 ALA C C 62 171.600 171.600 179.249 -7.649 25449
4933 1 10 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.183 -0.083 25449
4934 1 10 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.239 -0.039 25449
4935 1 10 . 1 1 62 62 ALA H H 62 6.910 6.910 7.563 -0.653 25449
4936 1 10 . 1 1 63 63 LYS N N 63 116.200 116.200 118.394 -2.194 25449
4937 1 10 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.990 0.200 25449
4938 1 10 . 1 1 63 63 LYS C C 63 179.200 179.200 178.907 0.293 25449
4939 1 10 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.530 -0.230 25449
4940 1 10 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.655 0.945 25449
4941 1 10 . 1 1 63 63 LYS H H 63 8.020 8.020 7.955 0.065 25449
4942 1 10 . 1 1 64 64 HIS N N 64 117.400 117.400 117.478 -0.078 25449
4943 1 10 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.254 0.056 25449
4944 1 10 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.953 -0.953 25449
4945 1 10 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.840 -0.740 25449
4946 1 10 . 1 1 64 64 HIS H H 64 7.460 7.460 7.474 -0.014 25449
4947 1 10 . 1 1 65 65 ALA N N 65 123.700 123.700 122.228 1.472 25449
4948 1 10 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.898 -1.728 25449
4949 1 10 . 1 1 65 65 ALA C C 65 178.700 178.700 178.821 -0.121 25449
4950 1 10 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.698 0.102 25449
4951 1 10 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.442 0.958 25449
4952 1 10 . 1 1 65 65 ALA H H 65 8.190 8.190 7.509 0.681 25449
4953 1 10 . 1 1 66 66 LEU N N 66 119.800 119.800 118.175 1.625 25449
4954 1 10 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.080 -0.650 25449
4955 1 10 . 1 1 66 66 LEU C C 66 178.700 178.700 179.026 -0.326 25449
4956 1 10 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.672 2.028 25449
4957 1 10 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.715 -0.615 25449
4958 1 10 . 1 1 66 66 LEU H H 66 8.340 8.340 7.466 0.874 25449
4959 1 10 . 1 1 67 67 TYR N N 67 116.200 116.200 119.794 -3.594 25449
4960 1 10 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.049 -0.039 25449
4961 1 10 . 1 1 67 67 TYR C C 67 177.700 177.700 177.590 0.110 25449
4962 1 10 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.252 -1.752 25449
4963 1 10 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.445 -0.345 25449
4964 1 10 . 1 1 67 67 TYR H H 67 7.760 7.760 7.808 -0.048 25449
4965 1 10 . 1 1 68 68 ASN N N 68 113.900 113.900 116.552 -2.652 25449
4966 1 10 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.614 -0.184 25449
4967 1 10 . 1 1 68 68 ASN C C 68 176.400 176.400 176.140 0.260 25449
4968 1 10 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.031 0.569 25449
4969 1 10 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.692 2.708 25449
4970 1 10 . 1 1 68 68 ASN H H 68 7.480 7.480 7.766 -0.286 25449
4971 1 10 . 1 1 69 69 MET N N 69 114.900 114.900 115.111 -0.211 25449
4972 1 10 . 1 1 69 69 MET HA H 69 4.760 4.760 4.544 0.216 25449
4973 1 10 . 1 1 69 69 MET C C 69 177.000 177.000 176.043 0.957 25449
4974 1 10 . 1 1 69 69 MET CA C 69 53.500 53.500 53.768 -0.268 25449
4975 1 10 . 1 1 69 69 MET CB C 69 31.100 31.100 32.393 -1.293 25449
4976 1 10 . 1 1 69 69 MET H H 69 8.310 8.310 7.552 0.758 25449
4977 1 10 . 1 1 70 70 ASN N N 70 117.700 117.700 116.914 0.786 25449
4978 1 10 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.729 -0.359 25449
4979 1 10 . 1 1 70 70 ASN C C 70 176.400 176.400 175.634 0.766 25449
4980 1 10 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.245 0.855 25449
4981 1 10 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.808 -0.108 25449
4982 1 10 . 1 1 70 70 ASN H H 70 7.660 7.660 7.734 -0.074 25449
4983 1 10 . 1 1 71 71 ASN N N 71 121.500 121.500 114.633 6.867 25449
4984 1 10 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.710 -0.200 25449
4985 1 10 . 1 1 71 71 ASN C C 71 173.300 173.300 175.171 -1.871 25449
4986 1 10 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.995 2.805 25449
4987 1 10 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.648 -0.448 25449
4988 1 10 . 1 1 71 71 ASN H H 71 8.600 8.600 8.103 0.497 25449
4989 1 10 . 1 1 72 72 PHE N N 72 122.300 122.300 122.720 -0.420 25449
4990 1 10 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.428 -0.238 25449
4991 1 10 . 1 1 72 72 PHE C C 72 174.100 174.100 174.537 -0.437 25449
4992 1 10 . 1 1 72 72 PHE CA C 72 58.700 58.700 58.388 0.312 25449
4993 1 10 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.987 1.313 25449
4994 1 10 . 1 1 72 72 PHE H H 72 7.870 7.870 7.855 0.015 25449
4995 1 10 . 1 1 73 73 GLU N N 73 126.100 126.100 127.220 -1.120 25449
4996 1 10 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.330 -0.100 25449
4997 1 10 . 1 1 73 73 GLU C C 73 173.000 173.000 174.096 -1.096 25449
4998 1 10 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.157 1.443 25449
4999 1 10 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.543 -1.243 25449
5000 1 10 . 1 1 73 73 GLU H H 73 7.690 7.690 7.923 -0.233 25449
5001 1 10 . 1 1 74 74 LEU N N 74 128.900 128.900 124.010 4.890 25449
5002 1 10 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.331 0.189 25449
5003 1 10 . 1 1 74 74 LEU C C 74 175.500 175.500 175.411 0.089 25449
5004 1 10 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.449 -1.149 25449
5005 1 10 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.006 1.594 25449
5006 1 10 . 1 1 74 74 LEU H H 74 8.620 8.620 7.970 0.650 25449
5007 1 10 . 1 1 75 75 ASN N N 75 126.800 126.800 121.598 5.202 25449
5008 1 10 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.415 -0.205 25449
5009 1 10 . 1 1 75 75 ASN C C 75 175.600 175.600 175.504 0.096 25449
5010 1 10 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.658 0.242 25449
5011 1 10 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.364 -0.464 25449
5012 1 10 . 1 1 75 75 ASN H H 75 9.520 9.520 8.939 0.581 25449
5013 1 10 . 1 1 76 76 GLY N N 76 102.300 102.300 102.461 -0.161 25449
5014 1 10 . 1 1 76 76 GLY C C 76 173.600 173.600 173.282 0.318 25449
5015 1 10 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.924 0.376 25449
5016 1 10 . 1 1 76 76 GLY H H 76 8.500 8.500 8.287 0.213 25449
5017 1 10 . 1 1 77 77 LYS N N 77 120.800 120.800 118.469 2.331 25449
5018 1 10 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.513 0.057 25449
5019 1 10 . 1 1 77 77 LYS C C 77 175.100 175.100 174.498 0.602 25449
5020 1 10 . 1 1 77 77 LYS CA C 77 54.200 54.200 55.015 -0.815 25449
5021 1 10 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.145 0.355 25449
5022 1 10 . 1 1 77 77 LYS H H 77 7.580 7.580 7.477 0.103 25449
5023 1 10 . 1 1 78 78 ARG N N 78 123.300 123.300 124.295 -0.995 25449
5024 1 10 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.504 -0.024 25449
5025 1 10 . 1 1 78 78 ARG C C 78 176.600 176.600 175.733 0.867 25449
5026 1 10 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.538 0.761 25449
5027 1 10 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.886 -0.586 25449
5028 1 10 . 1 1 78 78 ARG H H 78 8.580 8.580 8.520 0.060 25449
5029 1 10 . 1 1 79 79 ILE N N 79 120.100 120.100 123.772 -3.672 25449
5030 1 10 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.335 0.365 25449
5031 1 10 . 1 1 79 79 ILE C C 79 175.200 175.200 175.099 0.101 25449
5032 1 10 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.537 -0.537 25449
5033 1 10 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.760 0.640 25449
5034 1 10 . 1 1 79 79 ILE H H 79 8.450 8.450 8.362 0.088 25449
5035 1 10 . 1 1 80 80 HIS N N 80 119.900 119.900 125.584 -5.684 25449
5036 1 10 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.259 0.931 25449
5037 1 10 . 1 1 80 80 HIS C C 80 173.600 173.600 174.576 -0.976 25449
5038 1 10 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.982 -1.182 25449
5039 1 10 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.027 1.273 25449
5040 1 10 . 1 1 80 80 HIS H H 80 8.580 8.580 8.454 0.126 25449
5041 1 10 . 1 1 81 81 VAL N N 81 123.800 123.800 126.611 -2.811 25449
5042 1 10 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.572 0.708 25449
5043 1 10 . 1 1 81 81 VAL C C 81 173.600 173.600 175.192 -1.592 25449
5044 1 10 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.586 -1.386 25449
5045 1 10 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.044 1.956 25449
5046 1 10 . 1 1 81 81 VAL H H 81 8.650 8.650 8.858 -0.208 25449
5047 1 10 . 1 1 82 82 ASN N N 82 121.100 121.100 124.681 -3.581 25449
5048 1 10 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.124 -0.374 25449
5049 1 10 . 1 1 82 82 ASN C C 82 174.000 174.000 173.383 0.617 25449
5050 1 10 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.198 -0.298 25449
5051 1 10 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.456 0.444 25449
5052 1 10 . 1 1 82 82 ASN H H 82 8.890 8.890 8.532 0.358 25449
5053 1 10 . 1 1 83 83 TYR N N 83 120.400 120.400 120.607 -0.207 25449
5054 1 10 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.884 -0.084 25449
5055 1 10 . 1 1 83 83 TYR C C 83 177.100 177.100 175.349 1.751 25449
5056 1 10 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.992 1.408 25449
5057 1 10 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.618 -0.918 25449
5058 1 10 . 1 1 83 83 TYR H H 83 8.480 8.480 8.696 -0.216 25449
5059 1 10 . 1 1 84 84 SER N N 84 118.000 118.000 117.988 0.012 25449
5060 1 10 . 1 1 84 84 SER HA H 84 4.520 4.520 4.379 0.141 25449
5061 1 10 . 1 1 84 84 SER C C 84 174.100 174.100 171.999 2.101 25449
5062 1 10 . 1 1 84 84 SER CA C 84 57.700 57.700 56.561 1.139 25449
5063 1 10 . 1 1 84 84 SER CB C 84 64.300 64.300 65.822 -1.522 25449
5064 1 10 . 1 1 84 84 SER H H 84 9.040 9.040 7.674 1.366 25449
5065 1 10 . 1 1 85 85 LYS N N 85 125.300 125.300 121.010 4.290 25449
5066 1 10 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.287 0.153 25449
5067 1 10 . 1 1 85 85 LYS C C 85 175.600 175.600 175.620 -0.020 25449
5068 1 10 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.958 1.342 25449
5069 1 10 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.190 0.510 25449
5070 1 10 . 1 1 85 85 LYS H H 85 8.410 8.410 8.115 0.295 25449
5071 1 11 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.141 0.459 25449
5072 1 11 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.526 -0.116 25449
5073 1 11 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.014 -1.014 25449
5074 1 11 . 1 1 -1 -1 SER CA C -1 58.200 58.200 59.142 -0.942 25449
5075 1 11 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.677 0.223 25449
5076 1 11 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.572 0.098 25449
5077 1 11 . 1 1 0 0 HIS N N 0 121.200 121.200 120.126 1.074 25449
5078 1 11 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.747 -0.157 25449
5079 1 11 . 1 1 0 0 HIS C C 0 174.800 174.800 173.561 1.239 25449
5080 1 11 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.163 -0.063 25449
5081 1 11 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.288 -1.387 25449
5082 1 11 . 1 1 0 0 HIS H H 0 8.730 8.730 8.084 0.646 25449
5083 1 11 . 1 1 1 1 MET N N 1 121.800 121.800 125.084 -3.284 25449
5084 1 11 . 1 1 1 1 MET HA H 1 4.370 4.370 4.866 -0.496 25449
5085 1 11 . 1 1 1 1 MET C C 1 176.300 176.300 174.615 1.685 25449
5086 1 11 . 1 1 1 1 MET CA C 1 55.700 55.700 54.890 0.810 25449
5087 1 11 . 1 1 1 1 MET CB C 1 32.800 32.800 33.174 -0.374 25449
5088 1 11 . 1 1 1 1 MET H H 1 8.450 8.450 8.341 0.109 25449
5089 1 11 . 1 1 2 2 SER N N 2 116.700 116.700 119.925 -3.225 25449
5090 1 11 . 1 1 2 2 SER HA H 2 4.370 4.370 4.822 -0.452 25449
5091 1 11 . 1 1 2 2 SER C C 2 174.200 174.200 174.392 -0.192 25449
5092 1 11 . 1 1 2 2 SER CA C 2 58.400 58.400 57.532 0.868 25449
5093 1 11 . 1 1 2 2 SER CB C 2 63.800 63.800 66.148 -2.348 25449
5094 1 11 . 1 1 2 2 SER H H 2 8.410 8.410 8.730 -0.320 25449
5095 1 11 . 1 1 3 3 ASP N N 3 122.100 122.100 125.203 -3.103 25449
5096 1 11 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.551 -0.001 25449
5097 1 11 . 1 1 3 3 ASP C C 3 176.100 176.100 176.232 -0.132 25449
5098 1 11 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.286 -0.786 25449
5099 1 11 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.287 -0.087 25449
5100 1 11 . 1 1 3 3 ASP H H 3 8.340 8.340 8.914 -0.574 25449
5101 1 11 . 1 1 4 4 ASN N N 4 119.100 119.100 117.601 1.499 25449
5102 1 11 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.267 0.313 25449
5103 1 11 . 1 1 4 4 ASN C C 4 174.900 174.900 173.939 0.961 25449
5104 1 11 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.821 -0.121 25449
5105 1 11 . 1 1 4 4 ASN CB C 4 38.900 38.900 37.185 1.715 25449
5106 1 11 . 1 1 4 4 ASN H H 4 8.420 8.420 8.096 0.324 25449
5107 1 11 . 1 1 5 5 ASN N N 5 118.400 118.400 119.591 -1.191 25449
5108 1 11 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.564 -0.024 25449
5109 1 11 . 1 1 5 5 ASN C C 5 173.900 173.900 174.820 -0.920 25449
5110 1 11 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.530 0.670 25449
5111 1 11 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.547 0.153 25449
5112 1 11 . 1 1 5 5 ASN H H 5 8.340 8.340 8.469 -0.129 25449
5113 1 11 . 1 1 6 6 ALA N N 6 122.100 122.100 123.304 -1.204 25449
5114 1 11 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.253 -1.513 25449
5115 1 11 . 1 1 6 6 ALA C C 6 177.000 177.000 176.637 0.363 25449
5116 1 11 . 1 1 6 6 ALA CA C 6 52.300 52.300 53.123 -0.824 25449
5117 1 11 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.137 0.863 25449
5118 1 11 . 1 1 6 6 ALA H H 6 7.590 7.590 7.399 0.191 25449
5119 1 11 . 1 1 7 7 THR N N 7 112.700 112.700 118.290 -5.590 25449
5120 1 11 . 1 1 7 7 THR HA H 7 4.390 4.390 4.620 -0.230 25449
5121 1 11 . 1 1 7 7 THR C C 7 171.700 171.700 174.412 -2.712 25449
5122 1 11 . 1 1 7 7 THR CA C 7 59.800 59.800 61.058 -1.258 25449
5123 1 11 . 1 1 7 7 THR CB C 7 70.600 70.600 71.295 -0.695 25449
5124 1 11 . 1 1 7 7 THR H H 7 6.840 6.840 8.230 -1.390 25449
5125 1 11 . 1 1 8 8 ASP N N 8 114.600 114.600 120.849 -6.249 25449
5126 1 11 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.369 0.121 25449
5127 1 11 . 1 1 8 8 ASP C C 8 174.300 174.300 174.551 -0.251 25449
5128 1 11 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.741 -2.241 25449
5129 1 11 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.561 -0.761 25449
5130 1 11 . 1 1 8 8 ASP H H 8 8.170 8.170 8.766 -0.596 25449
5131 1 11 . 1 1 9 9 ILE N N 9 117.800 117.800 118.706 -0.906 25449
5132 1 11 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.072 -0.262 25449
5133 1 11 . 1 1 9 9 ILE C C 9 174.700 174.700 174.443 0.257 25449
5134 1 11 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.332 0.268 25449
5135 1 11 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.840 -0.541 25449
5136 1 11 . 1 1 9 9 ILE H H 9 7.890 7.890 7.428 0.462 25449
5137 1 11 . 1 1 10 10 LEU N N 10 125.300 125.300 126.353 -1.053 25449
5138 1 11 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.733 0.227 25449
5139 1 11 . 1 1 10 10 LEU C C 10 176.100 176.100 175.262 0.838 25449
5140 1 11 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.002 -1.101 25449
5141 1 11 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.574 -1.474 25449
5142 1 11 . 1 1 10 10 LEU H H 10 9.370 9.370 8.285 1.085 25449
5143 1 11 . 1 1 11 11 PHE N N 11 124.300 124.300 127.043 -2.743 25449
5144 1 11 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.560 0.110 25449
5145 1 11 . 1 1 11 11 PHE C C 11 173.400 173.400 173.908 -0.508 25449
5146 1 11 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.325 -0.325 25449
5147 1 11 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.685 1.015 25449
5148 1 11 . 1 1 11 11 PHE H H 11 9.310 9.310 8.121 1.189 25449
5149 1 11 . 1 1 12 12 VAL N N 12 128.300 128.300 125.311 2.989 25449
5150 1 11 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.932 -0.512 25449
5151 1 11 . 1 1 12 12 VAL C C 12 173.900 173.900 174.952 -1.052 25449
5152 1 11 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.562 0.638 25449
5153 1 11 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.103 0.997 25449
5154 1 11 . 1 1 12 12 VAL H H 12 8.380 8.380 7.561 0.819 25449
5155 1 11 . 1 1 13 13 GLY N N 13 111.800 111.800 111.874 -0.074 25449
5156 1 11 . 1 1 13 13 GLY C C 13 173.800 173.800 172.992 0.808 25449
5157 1 11 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.361 0.039 25449
5158 1 11 . 1 1 13 13 GLY H H 13 9.150 9.150 7.522 1.628 25449
5159 1 11 . 1 1 14 14 GLY N N 14 107.600 107.600 107.469 0.131 25449
5160 1 11 . 1 1 14 14 GLY C C 14 175.400 175.400 173.938 1.462 25449
5161 1 11 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.943 0.857 25449
5162 1 11 . 1 1 14 14 GLY H H 14 8.260 8.260 8.002 0.258 25449
5163 1 11 . 1 1 15 15 ILE N N 15 111.100 111.100 116.423 -5.323 25449
5164 1 11 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.368 -0.328 25449
5165 1 11 . 1 1 15 15 ILE C C 15 175.500 175.500 174.646 0.854 25449
5166 1 11 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.933 1.567 25449
5167 1 11 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.483 -0.983 25449
5168 1 11 . 1 1 15 15 ILE H H 15 6.930 6.930 7.224 -0.294 25449
5169 1 11 . 1 1 16 16 ASP N N 16 122.800 122.800 121.751 1.049 25449
5170 1 11 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.617 -0.037 25449
5171 1 11 . 1 1 16 16 ASP C C 16 177.200 177.200 176.607 0.593 25449
5172 1 11 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.356 0.344 25449
5173 1 11 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.754 -0.254 25449
5174 1 11 . 1 1 16 16 ASP H H 16 8.320 8.320 8.528 -0.208 25449
5175 1 11 . 1 1 17 17 GLU N N 17 119.600 119.600 121.134 -1.534 25449
5176 1 11 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.192 -0.052 25449
5177 1 11 . 1 1 17 17 GLU C C 17 176.800 176.800 176.359 0.441 25449
5178 1 11 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.226 1.374 25449
5179 1 11 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.721 1.079 25449
5180 1 11 . 1 1 17 17 GLU H H 17 8.830 8.830 8.813 0.017 25449
5181 1 11 . 1 1 18 18 THR N N 18 111.300 111.300 114.478 -3.178 25449
5182 1 11 . 1 1 18 18 THR HA H 18 4.250 4.250 4.495 -0.245 25449
5183 1 11 . 1 1 18 18 THR C C 18 175.200 175.200 174.811 0.389 25449
5184 1 11 . 1 1 18 18 THR CA C 18 62.600 62.600 61.768 0.832 25449
5185 1 11 . 1 1 18 18 THR CB C 18 69.600 69.600 69.703 -0.103 25449
5186 1 11 . 1 1 18 18 THR H H 18 8.740 8.740 7.750 0.990 25449
5187 1 11 . 1 1 19 19 ILE N N 19 123.300 123.300 120.146 3.154 25449
5188 1 11 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.293 -0.413 25449
5189 1 11 . 1 1 19 19 ILE C C 19 174.300 174.300 174.367 -0.067 25449
5190 1 11 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.983 0.917 25449
5191 1 11 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.498 -2.898 25449
5192 1 11 . 1 1 19 19 ILE H H 19 7.220 7.220 7.504 -0.284 25449
5193 1 11 . 1 1 20 20 ASP N N 20 125.600 125.600 123.767 1.833 25449
5194 1 11 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.806 -0.166 25449
5195 1 11 . 1 1 20 20 ASP C C 20 175.300 175.300 177.108 -1.808 25449
5196 1 11 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.037 -1.537 25449
5197 1 11 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.457 -0.457 25449
5198 1 11 . 1 1 20 20 ASP H H 20 7.790 7.790 8.502 -0.712 25449
5199 1 11 . 1 1 21 21 GLU N N 21 118.400 118.400 121.340 -2.940 25449
5200 1 11 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.965 -0.335 25449
5201 1 11 . 1 1 21 21 GLU C C 21 177.900 177.900 178.141 -0.241 25449
5202 1 11 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.983 0.917 25449
5203 1 11 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.629 -0.429 25449
5204 1 11 . 1 1 21 21 GLU H H 21 9.220 9.220 8.813 0.407 25449
5205 1 11 . 1 1 22 22 LYS N N 22 119.700 119.700 117.331 2.369 25449
5206 1 11 . 1 1 22 22 LYS HA H 22 4.060 4.060 3.993 0.067 25449
5207 1 11 . 1 1 22 22 LYS C C 22 178.500 178.500 178.642 -0.142 25449
5208 1 11 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.030 0.270 25449
5209 1 11 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.305 0.495 25449
5210 1 11 . 1 1 22 22 LYS H H 22 8.040 8.040 8.377 -0.337 25449
5211 1 11 . 1 1 23 23 SER N N 23 114.900 114.900 115.868 -0.968 25449
5212 1 11 . 1 1 23 23 SER HA H 23 4.300 4.300 4.307 -0.007 25449
5213 1 11 . 1 1 23 23 SER C C 23 177.600 177.600 176.160 1.440 25449
5214 1 11 . 1 1 23 23 SER CA C 23 61.800 61.800 61.412 0.388 25449
5215 1 11 . 1 1 23 23 SER CB C 23 62.900 62.900 62.360 0.540 25449
5216 1 11 . 1 1 23 23 SER H H 23 8.240 8.240 8.447 -0.207 25449
5217 1 11 . 1 1 24 24 LEU N N 24 118.800 118.800 121.150 -2.350 25449
5218 1 11 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.337 -0.157 25449
5219 1 11 . 1 1 24 24 LEU C C 24 178.700 178.700 178.296 0.404 25449
5220 1 11 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.313 0.987 25449
5221 1 11 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.661 0.439 25449
5222 1 11 . 1 1 24 24 LEU H H 24 7.750 7.750 7.435 0.315 25449
5223 1 11 . 1 1 25 25 TYR N N 25 123.200 123.200 121.108 2.092 25449
5224 1 11 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.188 -0.558 25449
5225 1 11 . 1 1 25 25 TYR C C 25 178.600 178.600 176.628 1.972 25449
5226 1 11 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.225 1.975 25449
5227 1 11 . 1 1 25 25 TYR CB C 25 38.200 38.200 39.072 -0.872 25449
5228 1 11 . 1 1 25 25 TYR H H 25 8.970 8.970 7.467 1.503 25449
5229 1 11 . 1 1 26 26 ASP N N 26 119.800 119.800 117.696 2.104 25449
5230 1 11 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.593 -0.323 25449
5231 1 11 . 1 1 26 26 ASP C C 26 177.900 177.900 177.850 0.050 25449
5232 1 11 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.620 0.081 25449
5233 1 11 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.353 -1.353 25449
5234 1 11 . 1 1 26 26 ASP H H 26 8.510 8.510 7.882 0.628 25449
5235 1 11 . 1 1 27 27 ILE N N 27 114.700 114.700 118.629 -3.929 25449
5236 1 11 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.884 0.076 25449
5237 1 11 . 1 1 27 27 ILE C C 27 177.700 177.700 177.518 0.182 25449
5238 1 11 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.625 -1.325 25449
5239 1 11 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.428 0.572 25449
5240 1 11 . 1 1 27 27 ILE H H 27 7.320 7.320 7.615 -0.295 25449
5241 1 11 . 1 1 28 28 PHE N N 28 116.900 116.900 117.105 -0.205 25449
5242 1 11 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.451 -0.081 25449
5243 1 11 . 1 1 28 28 PHE C C 28 179.900 179.900 176.627 3.273 25449
5244 1 11 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.311 2.989 25449
5245 1 11 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.761 -1.461 25449
5246 1 11 . 1 1 28 28 PHE H H 28 8.650 8.650 8.287 0.363 25449
5247 1 11 . 1 1 29 29 SER N N 29 120.100 120.100 111.670 8.430 25449
5248 1 11 . 1 1 29 29 SER HA H 29 4.410 4.410 4.496 -0.086 25449
5249 1 11 . 1 1 29 29 SER C C 29 175.600 175.600 175.547 0.053 25449
5250 1 11 . 1 1 29 29 SER CA C 29 61.300 61.300 59.136 2.164 25449
5251 1 11 . 1 1 29 29 SER CB C 29 62.200 62.200 63.028 -0.828 25449
5252 1 11 . 1 1 29 29 SER H H 29 8.880 8.880 7.699 1.181 25449
5253 1 11 . 1 1 30 30 SER N N 30 116.200 116.200 117.209 -1.009 25449
5254 1 11 . 1 1 30 30 SER HA H 30 3.940 3.940 4.301 -0.361 25449
5255 1 11 . 1 1 30 30 SER C C 30 174.900 174.900 175.671 -0.771 25449
5256 1 11 . 1 1 30 30 SER CA C 30 60.400 60.400 60.673 -0.273 25449
5257 1 11 . 1 1 30 30 SER CB C 30 62.400 62.400 63.279 -0.879 25449
5258 1 11 . 1 1 30 30 SER H H 30 7.270 7.270 7.929 -0.659 25449
5259 1 11 . 1 1 31 31 PHE N N 31 115.600 115.600 121.744 -6.144 25449
5260 1 11 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.565 -0.285 25449
5261 1 11 . 1 1 31 31 PHE C C 31 174.100 174.100 176.275 -2.175 25449
5262 1 11 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.240 -0.340 25449
5263 1 11 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.122 -0.822 25449
5264 1 11 . 1 1 31 31 PHE H H 31 6.980 6.980 8.041 -1.061 25449
5265 1 11 . 1 1 32 32 GLY N N 32 104.900 104.900 106.649 -1.749 25449
5266 1 11 . 1 1 32 32 GLY C C 32 171.600 171.600 172.408 -0.808 25449
5267 1 11 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.475 -0.175 25449
5268 1 11 . 1 1 32 32 GLY H H 32 7.300 7.300 7.582 -0.282 25449
5269 1 11 . 1 1 33 33 ASP N N 33 116.100 116.100 124.826 -8.726 25449
5270 1 11 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.313 0.197 25449
5271 1 11 . 1 1 33 33 ASP C C 33 176.800 176.800 174.590 2.210 25449
5272 1 11 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.312 0.088 25449
5273 1 11 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.429 -1.829 25449
5274 1 11 . 1 1 33 33 ASP H H 33 8.120 8.120 8.363 -0.243 25449
5275 1 11 . 1 1 34 34 ILE N N 34 126.400 126.400 118.665 7.735 25449
5276 1 11 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.103 -0.253 25449
5277 1 11 . 1 1 34 34 ILE C C 34 176.200 176.200 176.489 -0.289 25449
5278 1 11 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.478 1.722 25449
5279 1 11 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.775 0.125 25449
5280 1 11 . 1 1 34 34 ILE H H 34 8.670 8.670 7.979 0.691 25449
5281 1 11 . 1 1 35 35 ARG N N 35 128.900 128.900 126.735 2.165 25449
5282 1 11 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.267 -0.107 25449
5283 1 11 . 1 1 35 35 ARG C C 35 175.600 175.600 175.811 -0.211 25449
5284 1 11 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.735 -0.235 25449
5285 1 11 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.229 0.471 25449
5286 1 11 . 1 1 35 35 ARG H H 35 9.320 9.320 8.592 0.728 25449
5287 1 11 . 1 1 36 36 ASN N N 36 114.300 114.300 114.195 0.105 25449
5288 1 11 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.821 -0.111 25449
5289 1 11 . 1 1 36 36 ASN C C 36 172.000 172.000 172.895 -0.895 25449
5290 1 11 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.072 0.428 25449
5291 1 11 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.595 2.005 25449
5292 1 11 . 1 1 36 36 ASN H H 36 7.620 7.620 8.007 -0.387 25449
5293 1 11 . 1 1 37 37 ILE N N 37 122.700 122.700 120.577 2.123 25449
5294 1 11 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.292 0.478 25449
5295 1 11 . 1 1 37 37 ILE C C 37 173.300 173.300 174.213 -0.913 25449
5296 1 11 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.922 -1.321 25449
5297 1 11 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.664 -0.464 25449
5298 1 11 . 1 1 37 37 ILE H H 37 8.030 8.030 8.488 -0.458 25449
5299 1 11 . 1 1 38 38 GLU N N 38 126.700 126.700 129.296 -2.596 25449
5300 1 11 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449
5301 1 11 . 1 1 38 38 GLU C C 38 174.800 174.800 174.261 0.539 25449
5302 1 11 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.695 -1.295 25449
5303 1 11 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.442 1.958 25449
5304 1 11 . 1 1 38 38 GLU H H 38 8.870 8.870 8.522 0.348 25449
5305 1 11 . 1 1 39 39 VAL N N 39 126.400 126.400 126.225 0.175 25449
5306 1 11 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.848 0.852 25449
5307 1 11 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.636 -1.036 25449
5308 1 11 . 1 1 39 39 VAL H H 39 8.970 8.970 8.294 0.676 25449
5309 1 11 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.502 -0.272 25449
5310 1 11 . 1 1 40 40 PRO C C 40 176.300 176.300 175.228 1.072 25449
5311 1 11 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.641 0.659 25449
5312 1 11 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.385 0.115 25449
5313 1 11 . 1 1 41 41 LEU N N 41 120.700 120.700 122.077 -1.377 25449
5314 1 11 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.735 -0.215 25449
5315 1 11 . 1 1 41 41 LEU C C 41 177.900 177.900 175.975 1.925 25449
5316 1 11 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.646 -0.546 25449
5317 1 11 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.812 -1.512 25449
5318 1 11 . 1 1 41 41 LEU H H 41 8.520 8.520 8.165 0.355 25449
5319 1 11 . 1 1 42 42 ASN N N 42 121.400 121.400 121.498 -0.098 25449
5320 1 11 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.971 -0.411 25449
5321 1 11 . 1 1 42 42 ASN C C 42 176.700 176.700 176.179 0.521 25449
5322 1 11 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.260 0.640 25449
5323 1 11 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.736 -1.736 25449
5324 1 11 . 1 1 42 42 ASN H H 42 8.740 8.740 8.417 0.323 25449
5325 1 11 . 1 1 43 43 MET N N 43 125.500 125.500 122.469 3.031 25449
5326 1 11 . 1 1 43 43 MET HA H 43 4.210 4.210 4.439 -0.229 25449
5327 1 11 . 1 1 43 43 MET C C 43 177.200 177.200 176.290 0.910 25449
5328 1 11 . 1 1 43 43 MET CA C 43 57.100 57.100 57.420 -0.321 25449
5329 1 11 . 1 1 43 43 MET CB C 43 31.600 31.600 32.794 -1.194 25449
5330 1 11 . 1 1 43 43 MET H H 43 9.080 9.080 8.793 0.287 25449
5331 1 11 . 1 1 44 44 THR N N 44 114.400 114.400 113.331 1.069 25449
5332 1 11 . 1 1 44 44 THR HA H 44 4.160 4.160 4.330 -0.170 25449
5333 1 11 . 1 1 44 44 THR C C 44 175.900 175.900 175.616 0.284 25449
5334 1 11 . 1 1 44 44 THR CA C 44 65.200 65.200 64.505 0.695 25449
5335 1 11 . 1 1 44 44 THR CB C 44 68.700 68.700 69.099 -0.399 25449
5336 1 11 . 1 1 44 44 THR H H 44 8.590 8.590 7.881 0.709 25449
5337 1 11 . 1 1 45 45 THR N N 45 110.300 110.300 113.898 -3.598 25449
5338 1 11 . 1 1 45 45 THR HA H 45 4.160 4.160 4.428 -0.268 25449
5339 1 11 . 1 1 45 45 THR C C 45 175.500 175.500 173.828 1.672 25449
5340 1 11 . 1 1 45 45 THR CA C 45 62.000 62.000 61.484 0.516 25449
5341 1 11 . 1 1 45 45 THR CB C 45 70.000 70.000 69.475 0.525 25449
5342 1 11 . 1 1 45 45 THR H H 45 7.610 7.610 7.745 -0.135 25449
5343 1 11 . 1 1 46 46 LYS N N 46 115.700 115.700 120.341 -4.641 25449
5344 1 11 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.877 -0.157 25449
5345 1 11 . 1 1 46 46 LYS C C 46 174.600 174.600 174.675 -0.075 25449
5346 1 11 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.395 0.205 25449
5347 1 11 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.809 -1.909 25449
5348 1 11 . 1 1 46 46 LYS H H 46 8.460 8.460 7.923 0.537 25449
5349 1 11 . 1 1 47 47 LYS N N 47 117.100 117.100 116.482 0.618 25449
5350 1 11 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.171 0.509 25449
5351 1 11 . 1 1 47 47 LYS C C 47 176.300 176.300 177.264 -0.964 25449
5352 1 11 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.336 -2.336 25449
5353 1 11 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.605 2.495 25449
5354 1 11 . 1 1 47 47 LYS H H 47 7.610 7.610 7.978 -0.368 25449
5355 1 11 . 1 1 48 48 ASN N N 48 117.700 117.700 119.558 -1.858 25449
5356 1 11 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.773 -0.073 25449
5357 1 11 . 1 1 48 48 ASN C C 48 174.000 174.000 175.359 -1.359 25449
5358 1 11 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.365 1.235 25449
5359 1 11 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.798 -1.098 25449
5360 1 11 . 1 1 48 48 ASN H H 48 8.740 8.740 8.813 -0.073 25449
5361 1 11 . 1 1 49 49 ARG N N 49 116.800 116.800 116.826 -0.026 25449
5362 1 11 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.095 0.255 25449
5363 1 11 . 1 1 49 49 ARG C C 49 177.500 177.500 176.262 1.238 25449
5364 1 11 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.599 -1.000 25449
5365 1 11 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.324 4.276 25449
5366 1 11 . 1 1 49 49 ARG H H 49 8.530 8.530 8.050 0.480 25449
5367 1 11 . 1 1 50 50 GLY N N 50 108.300 108.300 104.691 3.609 25449
5368 1 11 . 1 1 50 50 GLY C C 50 173.500 173.500 173.221 0.279 25449
5369 1 11 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.424 0.376 25449
5370 1 11 . 1 1 50 50 GLY H H 50 8.900 8.900 8.809 0.091 25449
5371 1 11 . 1 1 51 51 PHE N N 51 113.900 113.900 116.481 -2.581 25449
5372 1 11 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.741 0.729 25449
5373 1 11 . 1 1 51 51 PHE C C 51 172.000 172.000 172.300 -0.300 25449
5374 1 11 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.134 -1.134 25449
5375 1 11 . 1 1 51 51 PHE CB C 51 42.700 42.700 41.178 1.522 25449
5376 1 11 . 1 1 51 51 PHE H H 51 6.910 6.910 7.381 -0.471 25449
5377 1 11 . 1 1 52 52 ALA N N 52 120.500 120.500 125.764 -5.264 25449
5378 1 11 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.333 0.296 25449
5379 1 11 . 1 1 52 52 ALA C C 52 173.900 173.900 174.467 -0.567 25449
5380 1 11 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.714 -0.514 25449
5381 1 11 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.837 3.263 25449
5382 1 11 . 1 1 52 52 ALA H H 52 8.810 8.810 7.336 1.474 25449
5383 1 11 . 1 1 53 53 PHE N N 53 115.000 115.000 118.687 -3.687 25449
5384 1 11 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.774 0.886 25449
5385 1 11 . 1 1 53 53 PHE C C 53 175.600 175.600 174.958 0.642 25449
5386 1 11 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.390 -1.190 25449
5387 1 11 . 1 1 53 53 PHE CB C 53 42.400 42.400 42.252 0.148 25449
5388 1 11 . 1 1 53 53 PHE H H 53 8.730 8.730 8.693 0.037 25449
5389 1 11 . 1 1 54 54 VAL N N 54 122.300 122.300 121.913 0.387 25449
5390 1 11 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.256 -0.156 25449
5391 1 11 . 1 1 54 54 VAL C C 54 173.000 173.000 174.126 -1.126 25449
5392 1 11 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.596 0.104 25449
5393 1 11 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.587 -0.187 25449
5394 1 11 . 1 1 54 54 VAL H H 54 9.060 9.060 8.470 0.590 25449
5395 1 11 . 1 1 55 55 GLU N N 55 127.300 127.300 126.290 1.010 25449
5396 1 11 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.814 0.346 25449
5397 1 11 . 1 1 55 55 GLU C C 55 175.900 175.900 175.687 0.213 25449
5398 1 11 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.763 -0.763 25449
5399 1 11 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.042 -0.342 25449
5400 1 11 . 1 1 55 55 GLU H H 55 8.860 8.860 8.182 0.678 25449
5401 1 11 . 1 1 56 56 TYR N N 56 127.500 127.500 122.850 4.650 25449
5402 1 11 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.498 0.022 25449
5403 1 11 . 1 1 56 56 TYR C C 56 175.000 175.000 175.877 -0.877 25449
5404 1 11 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.220 0.480 25449
5405 1 11 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.878 -0.678 25449
5406 1 11 . 1 1 56 56 TYR H H 56 9.470 9.470 7.940 1.530 25449
5407 1 11 . 1 1 57 57 VAL N N 57 119.200 119.200 118.813 0.387 25449
5408 1 11 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.015 -0.445 25449
5409 1 11 . 1 1 57 57 VAL C C 57 177.000 177.000 175.429 1.571 25449
5410 1 11 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.885 2.415 25449
5411 1 11 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.540 -0.540 25449
5412 1 11 . 1 1 57 57 VAL H H 57 7.800 7.800 8.103 -0.303 25449
5413 1 11 . 1 1 58 58 GLU N N 58 118.500 118.500 119.190 -0.690 25449
5414 1 11 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.600 0.180 25449
5415 1 11 . 1 1 58 58 GLU C C 58 177.500 177.500 176.388 1.112 25449
5416 1 11 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.072 -1.272 25449
5417 1 11 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.823 -0.323 25449
5418 1 11 . 1 1 58 58 GLU H H 58 9.530 9.530 8.063 1.467 25449
5419 1 11 . 1 1 59 59 VAL N N 59 125.200 125.200 124.656 0.544 25449
5420 1 11 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.866 -0.336 25449
5421 1 11 . 1 1 59 59 VAL C C 59 177.600 177.600 177.039 0.561 25449
5422 1 11 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.134 0.966 25449
5423 1 11 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.231 -0.531 25449
5424 1 11 . 1 1 59 59 VAL H H 59 8.650 8.650 8.671 -0.021 25449
5425 1 11 . 1 1 60 60 ASP N N 60 118.500 118.500 119.610 -1.110 25449
5426 1 11 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.484 -0.264 25449
5427 1 11 . 1 1 60 60 ASP C C 60 178.300 178.300 177.790 0.510 25449
5428 1 11 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.643 -0.043 25449
5429 1 11 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.349 0.152 25449
5430 1 11 . 1 1 60 60 ASP H H 60 8.970 8.970 8.591 0.379 25449
5431 1 11 . 1 1 61 61 ASP N N 61 119.900 119.900 120.131 -0.231 25449
5432 1 11 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.407 -0.047 25449
5433 1 11 . 1 1 61 61 ASP C C 61 176.800 176.800 178.426 -1.626 25449
5434 1 11 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.529 -0.629 25449
5435 1 11 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.470 -0.670 25449
5436 1 11 . 1 1 61 61 ASP H H 61 6.920 6.920 8.578 -1.658 25449
5437 1 11 . 1 1 62 62 ALA N N 62 122.700 122.700 122.864 -0.164 25449
5438 1 11 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.144 0.236 25449
5439 1 11 . 1 1 62 62 ALA C C 62 171.600 171.600 179.135 -7.535 25449
5440 1 11 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.150 -0.050 25449
5441 1 11 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.364 -0.164 25449
5442 1 11 . 1 1 62 62 ALA H H 62 6.910 6.910 7.936 -1.026 25449
5443 1 11 . 1 1 63 63 LYS N N 63 116.200 116.200 117.865 -1.665 25449
5444 1 11 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.863 0.327 25449
5445 1 11 . 1 1 63 63 LYS C C 63 179.200 179.200 179.187 0.013 25449
5446 1 11 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.598 -0.298 25449
5447 1 11 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.283 0.317 25449
5448 1 11 . 1 1 63 63 LYS H H 63 8.020 8.020 7.409 0.611 25449
5449 1 11 . 1 1 64 64 HIS N N 64 117.400 117.400 117.427 -0.027 25449
5450 1 11 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.296 0.014 25449
5451 1 11 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.724 -0.724 25449
5452 1 11 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.832 -0.732 25449
5453 1 11 . 1 1 64 64 HIS H H 64 7.460 7.460 7.633 -0.173 25449
5454 1 11 . 1 1 65 65 ALA N N 65 123.700 123.700 122.162 1.538 25449
5455 1 11 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.828 -1.658 25449
5456 1 11 . 1 1 65 65 ALA C C 65 178.700 178.700 178.748 -0.048 25449
5457 1 11 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.742 0.058 25449
5458 1 11 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.277 1.123 25449
5459 1 11 . 1 1 65 65 ALA H H 65 8.190 8.190 7.756 0.434 25449
5460 1 11 . 1 1 66 66 LEU N N 66 119.800 119.800 117.704 2.096 25449
5461 1 11 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.005 -0.575 25449
5462 1 11 . 1 1 66 66 LEU C C 66 178.700 178.700 178.762 -0.062 25449
5463 1 11 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.500 2.200 25449
5464 1 11 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.593 -0.493 25449
5465 1 11 . 1 1 66 66 LEU H H 66 8.340 8.340 7.317 1.023 25449
5466 1 11 . 1 1 67 67 TYR N N 67 116.200 116.200 119.944 -3.744 25449
5467 1 11 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.100 -0.090 25449
5468 1 11 . 1 1 67 67 TYR C C 67 177.700 177.700 177.656 0.044 25449
5469 1 11 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.147 -1.647 25449
5470 1 11 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.505 -0.405 25449
5471 1 11 . 1 1 67 67 TYR H H 67 7.760 7.760 7.670 0.090 25449
5472 1 11 . 1 1 68 68 ASN N N 68 113.900 113.900 115.522 -1.622 25449
5473 1 11 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.568 -0.138 25449
5474 1 11 . 1 1 68 68 ASN C C 68 176.400 176.400 175.887 0.513 25449
5475 1 11 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.580 1.020 25449
5476 1 11 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.569 2.831 25449
5477 1 11 . 1 1 68 68 ASN H H 68 7.480 7.480 7.781 -0.301 25449
5478 1 11 . 1 1 69 69 MET N N 69 114.900 114.900 115.779 -0.879 25449
5479 1 11 . 1 1 69 69 MET HA H 69 4.760 4.760 4.560 0.200 25449
5480 1 11 . 1 1 69 69 MET C C 69 177.000 177.000 176.835 0.165 25449
5481 1 11 . 1 1 69 69 MET CA C 69 53.500 53.500 54.035 -0.535 25449
5482 1 11 . 1 1 69 69 MET CB C 69 31.100 31.100 32.716 -1.616 25449
5483 1 11 . 1 1 69 69 MET H H 69 8.310 8.310 7.501 0.809 25449
5484 1 11 . 1 1 70 70 ASN N N 70 117.700 117.700 120.108 -2.408 25449
5485 1 11 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.455 -0.085 25449
5486 1 11 . 1 1 70 70 ASN C C 70 176.400 176.400 175.566 0.834 25449
5487 1 11 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.931 0.169 25449
5488 1 11 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.445 1.255 25449
5489 1 11 . 1 1 70 70 ASN H H 70 7.660 7.660 8.059 -0.399 25449
5490 1 11 . 1 1 71 71 ASN N N 71 121.500 121.500 115.908 5.592 25449
5491 1 11 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.657 -0.147 25449
5492 1 11 . 1 1 71 71 ASN C C 71 173.300 173.300 174.505 -1.205 25449
5493 1 11 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.668 3.132 25449
5494 1 11 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.451 -0.251 25449
5495 1 11 . 1 1 71 71 ASN H H 71 8.600 8.600 8.137 0.463 25449
5496 1 11 . 1 1 72 72 PHE N N 72 122.300 122.300 123.138 -0.838 25449
5497 1 11 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.450 -0.260 25449
5498 1 11 . 1 1 72 72 PHE C C 72 174.100 174.100 174.341 -0.241 25449
5499 1 11 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.682 1.018 25449
5500 1 11 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.250 1.050 25449
5501 1 11 . 1 1 72 72 PHE H H 72 7.870 7.870 7.498 0.372 25449
5502 1 11 . 1 1 73 73 GLU N N 73 126.100 126.100 127.480 -1.380 25449
5503 1 11 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.284 -0.054 25449
5504 1 11 . 1 1 73 73 GLU C C 73 173.000 173.000 174.341 -1.341 25449
5505 1 11 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.193 1.407 25449
5506 1 11 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.917 -0.617 25449
5507 1 11 . 1 1 73 73 GLU H H 73 7.690 7.690 8.215 -0.525 25449
5508 1 11 . 1 1 74 74 LEU N N 74 128.900 128.900 124.214 4.686 25449
5509 1 11 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449
5510 1 11 . 1 1 74 74 LEU C C 74 175.500 175.500 175.766 -0.266 25449
5511 1 11 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.626 -1.326 25449
5512 1 11 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.070 1.530 25449
5513 1 11 . 1 1 74 74 LEU H H 74 8.620 8.620 8.333 0.287 25449
5514 1 11 . 1 1 75 75 ASN N N 75 126.800 126.800 122.015 4.785 25449
5515 1 11 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.478 -0.268 25449
5516 1 11 . 1 1 75 75 ASN C C 75 175.600 175.600 175.720 -0.120 25449
5517 1 11 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.578 0.322 25449
5518 1 11 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.578 -0.678 25449
5519 1 11 . 1 1 75 75 ASN H H 75 9.520 9.520 8.893 0.627 25449
5520 1 11 . 1 1 76 76 GLY N N 76 102.300 102.300 101.092 1.208 25449
5521 1 11 . 1 1 76 76 GLY C C 76 173.600 173.600 173.324 0.276 25449
5522 1 11 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.176 0.124 25449
5523 1 11 . 1 1 76 76 GLY H H 76 8.500 8.500 8.461 0.039 25449
5524 1 11 . 1 1 77 77 LYS N N 77 120.800 120.800 118.461 2.339 25449
5525 1 11 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.527 0.043 25449
5526 1 11 . 1 1 77 77 LYS C C 77 175.100 175.100 174.536 0.564 25449
5527 1 11 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.325 -0.125 25449
5528 1 11 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.643 -0.143 25449
5529 1 11 . 1 1 77 77 LYS H H 77 7.580 7.580 7.356 0.224 25449
5530 1 11 . 1 1 78 78 ARG N N 78 123.300 123.300 124.491 -1.191 25449
5531 1 11 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.555 -0.075 25449
5532 1 11 . 1 1 78 78 ARG C C 78 176.600 176.600 175.694 0.906 25449
5533 1 11 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.446 0.854 25449
5534 1 11 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.602 -0.303 25449
5535 1 11 . 1 1 78 78 ARG H H 78 8.580 8.580 8.486 0.094 25449
5536 1 11 . 1 1 79 79 ILE N N 79 120.100 120.100 124.016 -3.916 25449
5537 1 11 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.471 0.229 25449
5538 1 11 . 1 1 79 79 ILE C C 79 175.200 175.200 175.690 -0.490 25449
5539 1 11 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.488 -0.488 25449
5540 1 11 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.491 0.909 25449
5541 1 11 . 1 1 79 79 ILE H H 79 8.450 8.450 8.438 0.012 25449
5542 1 11 . 1 1 80 80 HIS N N 80 119.900 119.900 122.547 -2.647 25449
5543 1 11 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.857 0.333 25449
5544 1 11 . 1 1 80 80 HIS C C 80 173.600 173.600 173.936 -0.336 25449
5545 1 11 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.762 -0.962 25449
5546 1 11 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.200 1.100 25449
5547 1 11 . 1 1 80 80 HIS H H 80 8.580 8.580 7.729 0.851 25449
5548 1 11 . 1 1 81 81 VAL N N 81 123.800 123.800 125.964 -2.164 25449
5549 1 11 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.821 0.459 25449
5550 1 11 . 1 1 81 81 VAL C C 81 173.600 173.600 175.248 -1.648 25449
5551 1 11 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.015 -0.815 25449
5552 1 11 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.144 1.856 25449
5553 1 11 . 1 1 81 81 VAL H H 81 8.650 8.650 8.496 0.154 25449
5554 1 11 . 1 1 82 82 ASN N N 82 121.100 121.100 124.013 -2.913 25449
5555 1 11 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.120 -0.370 25449
5556 1 11 . 1 1 82 82 ASN C C 82 174.000 174.000 173.467 0.533 25449
5557 1 11 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.762 0.138 25449
5558 1 11 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.791 2.108 25449
5559 1 11 . 1 1 82 82 ASN H H 82 8.890 8.890 8.229 0.661 25449
5560 1 11 . 1 1 83 83 TYR N N 83 120.400 120.400 118.576 1.824 25449
5561 1 11 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.772 0.028 25449
5562 1 11 . 1 1 83 83 TYR C C 83 177.100 177.100 176.145 0.955 25449
5563 1 11 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.972 0.428 25449
5564 1 11 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.345 -1.645 25449
5565 1 11 . 1 1 83 83 TYR H H 83 8.480 8.480 7.877 0.603 25449
5566 1 11 . 1 1 84 84 SER N N 84 118.000 118.000 116.680 1.320 25449
5567 1 11 . 1 1 84 84 SER HA H 84 4.520 4.520 4.630 -0.110 25449
5568 1 11 . 1 1 84 84 SER C C 84 174.100 174.100 172.633 1.467 25449
5569 1 11 . 1 1 84 84 SER CA C 84 57.700 57.700 57.699 0.001 25449
5570 1 11 . 1 1 84 84 SER CB C 84 64.300 64.300 65.816 -1.516 25449
5571 1 11 . 1 1 84 84 SER H H 84 9.040 9.040 8.750 0.290 25449
5572 1 11 . 1 1 85 85 LYS N N 85 125.300 125.300 122.819 2.481 25449
5573 1 11 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.685 -0.245 25449
5574 1 11 . 1 1 85 85 LYS C C 85 175.600 175.600 175.555 0.045 25449
5575 1 11 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.461 0.839 25449
5576 1 11 . 1 1 85 85 LYS CB C 85 33.700 33.700 34.331 -0.631 25449
5577 1 11 . 1 1 85 85 LYS H H 85 8.410 8.410 8.310 0.100 25449
5578 1 12 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.438 0.162 25449
5579 1 12 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.441 -0.031 25449
5580 1 12 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.597 -1.597 25449
5581 1 12 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.954 -0.754 25449
5582 1 12 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.033 -0.133 25449
5583 1 12 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.834 -0.164 25449
5584 1 12 . 1 1 0 0 HIS N N 0 121.200 121.200 121.727 -0.527 25449
5585 1 12 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.729 -0.139 25449
5586 1 12 . 1 1 0 0 HIS C C 0 174.800 174.800 173.871 0.929 25449
5587 1 12 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.346 -0.246 25449
5588 1 12 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.960 -1.060 25449
5589 1 12 . 1 1 0 0 HIS H H 0 8.730 8.730 8.372 0.358 25449
5590 1 12 . 1 1 1 1 MET N N 1 121.800 121.800 123.934 -2.134 25449
5591 1 12 . 1 1 1 1 MET HA H 1 4.370 4.370 4.713 -0.343 25449
5592 1 12 . 1 1 1 1 MET C C 1 176.300 176.300 175.618 0.682 25449
5593 1 12 . 1 1 1 1 MET CA C 1 55.700 55.700 54.121 1.579 25449
5594 1 12 . 1 1 1 1 MET CB C 1 32.800 32.800 32.494 0.306 25449
5595 1 12 . 1 1 1 1 MET H H 1 8.450 8.450 8.484 -0.034 25449
5596 1 12 . 1 1 2 2 SER N N 2 116.700 116.700 114.385 2.315 25449
5597 1 12 . 1 1 2 2 SER HA H 2 4.370 4.370 4.290 0.080 25449
5598 1 12 . 1 1 2 2 SER C C 2 174.200 174.200 174.303 -0.103 25449
5599 1 12 . 1 1 2 2 SER CA C 2 58.400 58.400 59.170 -0.770 25449
5600 1 12 . 1 1 2 2 SER CB C 2 63.800 63.800 64.113 -0.313 25449
5601 1 12 . 1 1 2 2 SER H H 2 8.410 8.410 8.194 0.216 25449
5602 1 12 . 1 1 3 3 ASP N N 3 122.100 122.100 126.090 -3.990 25449
5603 1 12 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.538 0.012 25449
5604 1 12 . 1 1 3 3 ASP C C 3 176.100 176.100 176.004 0.096 25449
5605 1 12 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.414 -1.914 25449
5606 1 12 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.663 -0.463 25449
5607 1 12 . 1 1 3 3 ASP H H 3 8.340 8.340 9.114 -0.774 25449
5608 1 12 . 1 1 4 4 ASN N N 4 119.100 119.100 113.000 6.100 25449
5609 1 12 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.795 -0.215 25449
5610 1 12 . 1 1 4 4 ASN C C 4 174.900 174.900 175.523 -0.623 25449
5611 1 12 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.319 1.381 25449
5612 1 12 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.042 -0.142 25449
5613 1 12 . 1 1 4 4 ASN H H 4 8.420 8.420 7.549 0.871 25449
5614 1 12 . 1 1 5 5 ASN N N 5 118.400 118.400 118.348 0.052 25449
5615 1 12 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.343 0.197 25449
5616 1 12 . 1 1 5 5 ASN C C 5 173.900 173.900 174.924 -1.024 25449
5617 1 12 . 1 1 5 5 ASN CA C 5 53.200 53.200 54.841 -1.641 25449
5618 1 12 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.379 0.321 25449
5619 1 12 . 1 1 5 5 ASN H H 5 8.340 8.340 8.558 -0.218 25449
5620 1 12 . 1 1 6 6 ALA N N 6 122.100 122.100 119.855 2.245 25449
5621 1 12 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.715 -0.975 25449
5622 1 12 . 1 1 6 6 ALA C C 6 177.000 177.000 176.015 0.985 25449
5623 1 12 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.450 -0.150 25449
5624 1 12 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.109 1.891 25449
5625 1 12 . 1 1 6 6 ALA H H 6 7.590 7.590 7.310 0.280 25449
5626 1 12 . 1 1 7 7 THR N N 7 112.700 112.700 117.457 -4.757 25449
5627 1 12 . 1 1 7 7 THR HA H 7 4.390 4.390 4.382 0.008 25449
5628 1 12 . 1 1 7 7 THR C C 7 171.700 171.700 175.131 -3.431 25449
5629 1 12 . 1 1 7 7 THR CA C 7 59.800 59.800 61.201 -1.401 25449
5630 1 12 . 1 1 7 7 THR CB C 7 70.600 70.600 70.121 0.479 25449
5631 1 12 . 1 1 7 7 THR H H 7 6.840 6.840 8.097 -1.256 25449
5632 1 12 . 1 1 8 8 ASP N N 8 114.600 114.600 122.287 -7.687 25449
5633 1 12 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.315 0.175 25449
5634 1 12 . 1 1 8 8 ASP C C 8 174.300 174.300 174.231 0.069 25449
5635 1 12 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.796 -2.296 25449
5636 1 12 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.098 -0.298 25449
5637 1 12 . 1 1 8 8 ASP H H 8 8.170 8.170 8.780 -0.610 25449
5638 1 12 . 1 1 9 9 ILE N N 9 117.800 117.800 118.845 -1.045 25449
5639 1 12 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.027 -0.217 25449
5640 1 12 . 1 1 9 9 ILE C C 9 174.700 174.700 174.330 0.370 25449
5641 1 12 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.392 0.208 25449
5642 1 12 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.487 -0.187 25449
5643 1 12 . 1 1 9 9 ILE H H 9 7.890 7.890 7.560 0.330 25449
5644 1 12 . 1 1 10 10 LEU N N 10 125.300 125.300 127.712 -2.412 25449
5645 1 12 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.802 0.158 25449
5646 1 12 . 1 1 10 10 LEU C C 10 176.100 176.100 175.163 0.937 25449
5647 1 12 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.191 -1.291 25449
5648 1 12 . 1 1 10 10 LEU CB C 10 43.100 43.100 43.966 -0.866 25449
5649 1 12 . 1 1 10 10 LEU H H 10 9.370 9.370 8.181 1.189 25449
5650 1 12 . 1 1 11 11 PHE N N 11 124.300 124.300 127.431 -3.131 25449
5651 1 12 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.644 0.026 25449
5652 1 12 . 1 1 11 11 PHE C C 11 173.400 173.400 173.735 -0.335 25449
5653 1 12 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.745 0.255 25449
5654 1 12 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.748 0.952 25449
5655 1 12 . 1 1 11 11 PHE H H 11 9.310 9.310 8.403 0.907 25449
5656 1 12 . 1 1 12 12 VAL N N 12 128.300 128.300 125.263 3.037 25449
5657 1 12 . 1 1 12 12 VAL HA H 12 4.420 4.420 5.057 -0.637 25449
5658 1 12 . 1 1 12 12 VAL C C 12 173.900 173.900 175.176 -1.276 25449
5659 1 12 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.288 0.912 25449
5660 1 12 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.645 0.455 25449
5661 1 12 . 1 1 12 12 VAL H H 12 8.380 8.380 7.607 0.773 25449
5662 1 12 . 1 1 13 13 GLY N N 13 111.800 111.800 113.039 -1.239 25449
5663 1 12 . 1 1 13 13 GLY C C 13 173.800 173.800 173.065 0.735 25449
5664 1 12 . 1 1 13 13 GLY CA C 13 43.400 43.400 44.127 -0.727 25449
5665 1 12 . 1 1 13 13 GLY H H 13 9.150 9.150 7.845 1.305 25449
5666 1 12 . 1 1 14 14 GLY N N 14 107.600 107.600 106.430 1.170 25449
5667 1 12 . 1 1 14 14 GLY C C 14 175.400 175.400 173.603 1.797 25449
5668 1 12 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.027 0.773 25449
5669 1 12 . 1 1 14 14 GLY H H 14 8.260 8.260 8.038 0.222 25449
5670 1 12 . 1 1 15 15 ILE N N 15 111.100 111.100 117.079 -5.979 25449
5671 1 12 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.297 -0.257 25449
5672 1 12 . 1 1 15 15 ILE C C 15 175.500 175.500 175.137 0.363 25449
5673 1 12 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.224 1.276 25449
5674 1 12 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.681 -1.181 25449
5675 1 12 . 1 1 15 15 ILE H H 15 6.930 6.930 7.555 -0.625 25449
5676 1 12 . 1 1 16 16 ASP N N 16 122.800 122.800 121.672 1.128 25449
5677 1 12 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.672 -0.092 25449
5678 1 12 . 1 1 16 16 ASP C C 16 177.200 177.200 177.130 0.070 25449
5679 1 12 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.174 0.526 25449
5680 1 12 . 1 1 16 16 ASP CB C 16 42.500 42.500 43.113 -0.613 25449
5681 1 12 . 1 1 16 16 ASP H H 16 8.320 8.320 8.470 -0.150 25449
5682 1 12 . 1 1 17 17 GLU N N 17 119.600 119.600 120.691 -1.091 25449
5683 1 12 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.150 -0.010 25449
5684 1 12 . 1 1 17 17 GLU C C 17 176.800 176.800 176.635 0.165 25449
5685 1 12 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.500 1.100 25449
5686 1 12 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.960 0.840 25449
5687 1 12 . 1 1 17 17 GLU H H 17 8.830 8.830 8.699 0.131 25449
5688 1 12 . 1 1 18 18 THR N N 18 111.300 111.300 114.459 -3.159 25449
5689 1 12 . 1 1 18 18 THR HA H 18 4.250 4.250 4.497 -0.247 25449
5690 1 12 . 1 1 18 18 THR C C 18 175.200 175.200 174.710 0.490 25449
5691 1 12 . 1 1 18 18 THR CA C 18 62.600 62.600 61.785 0.814 25449
5692 1 12 . 1 1 18 18 THR CB C 18 69.600 69.600 69.664 -0.064 25449
5693 1 12 . 1 1 18 18 THR H H 18 8.740 8.740 7.704 1.036 25449
5694 1 12 . 1 1 19 19 ILE N N 19 123.300 123.300 119.873 3.427 25449
5695 1 12 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.343 -0.463 25449
5696 1 12 . 1 1 19 19 ILE C C 19 174.300 174.300 174.231 0.069 25449
5697 1 12 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.685 1.215 25449
5698 1 12 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.679 -3.079 25449
5699 1 12 . 1 1 19 19 ILE H H 19 7.220 7.220 7.478 -0.258 25449
5700 1 12 . 1 1 20 20 ASP N N 20 125.600 125.600 123.374 2.226 25449
5701 1 12 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.802 -0.162 25449
5702 1 12 . 1 1 20 20 ASP C C 20 175.300 175.300 177.490 -2.190 25449
5703 1 12 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.162 -1.662 25449
5704 1 12 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.795 -0.795 25449
5705 1 12 . 1 1 20 20 ASP H H 20 7.790 7.790 8.440 -0.650 25449
5706 1 12 . 1 1 21 21 GLU N N 21 118.400 118.400 120.001 -1.601 25449
5707 1 12 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.002 -0.372 25449
5708 1 12 . 1 1 21 21 GLU C C 21 177.900 177.900 178.136 -0.236 25449
5709 1 12 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.104 0.796 25449
5710 1 12 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.610 -0.410 25449
5711 1 12 . 1 1 21 21 GLU H H 21 9.220 9.220 8.814 0.406 25449
5712 1 12 . 1 1 22 22 LYS N N 22 119.700 119.700 117.358 2.342 25449
5713 1 12 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.216 -0.156 25449
5714 1 12 . 1 1 22 22 LYS C C 22 178.500 178.500 178.644 -0.144 25449
5715 1 12 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.972 0.328 25449
5716 1 12 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.523 0.277 25449
5717 1 12 . 1 1 22 22 LYS H H 22 8.040 8.040 8.484 -0.444 25449
5718 1 12 . 1 1 23 23 SER N N 23 114.900 114.900 115.935 -1.035 25449
5719 1 12 . 1 1 23 23 SER HA H 23 4.300 4.300 4.336 -0.036 25449
5720 1 12 . 1 1 23 23 SER C C 23 177.600 177.600 176.095 1.505 25449
5721 1 12 . 1 1 23 23 SER CA C 23 61.800 61.800 61.329 0.471 25449
5722 1 12 . 1 1 23 23 SER CB C 23 62.900 62.900 62.444 0.456 25449
5723 1 12 . 1 1 23 23 SER H H 23 8.240 8.240 8.434 -0.194 25449
5724 1 12 . 1 1 24 24 LEU N N 24 118.800 118.800 121.602 -2.802 25449
5725 1 12 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.350 -0.170 25449
5726 1 12 . 1 1 24 24 LEU C C 24 178.700 178.700 178.685 0.015 25449
5727 1 12 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.228 1.072 25449
5728 1 12 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.680 0.420 25449
5729 1 12 . 1 1 24 24 LEU H H 24 7.750 7.750 7.406 0.344 25449
5730 1 12 . 1 1 25 25 TYR N N 25 123.200 123.200 121.441 1.759 25449
5731 1 12 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.073 -0.443 25449
5732 1 12 . 1 1 25 25 TYR C C 25 178.600 178.600 177.106 1.494 25449
5733 1 12 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.386 2.814 25449
5734 1 12 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.509 -0.309 25449
5735 1 12 . 1 1 25 25 TYR H H 25 8.970 8.970 7.489 1.481 25449
5736 1 12 . 1 1 26 26 ASP N N 26 119.800 119.800 118.226 1.574 25449
5737 1 12 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.540 -0.270 25449
5738 1 12 . 1 1 26 26 ASP C C 26 177.900 177.900 178.157 -0.257 25449
5739 1 12 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.249 0.451 25449
5740 1 12 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.307 -1.307 25449
5741 1 12 . 1 1 26 26 ASP H H 26 8.510 8.510 7.791 0.719 25449
5742 1 12 . 1 1 27 27 ILE N N 27 114.700 114.700 119.191 -4.491 25449
5743 1 12 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.900 0.060 25449
5744 1 12 . 1 1 27 27 ILE C C 27 177.700 177.700 177.983 -0.283 25449
5745 1 12 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.803 -1.503 25449
5746 1 12 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.300 0.700 25449
5747 1 12 . 1 1 27 27 ILE H H 27 7.320 7.320 7.552 -0.232 25449
5748 1 12 . 1 1 28 28 PHE N N 28 116.900 116.900 116.842 0.058 25449
5749 1 12 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.553 -0.183 25449
5750 1 12 . 1 1 28 28 PHE C C 28 179.900 179.900 176.985 2.915 25449
5751 1 12 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.007 3.293 25449
5752 1 12 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.475 -1.175 25449
5753 1 12 . 1 1 28 28 PHE H H 28 8.650 8.650 8.260 0.390 25449
5754 1 12 . 1 1 29 29 SER N N 29 120.100 120.100 112.505 7.595 25449
5755 1 12 . 1 1 29 29 SER HA H 29 4.410 4.410 4.729 -0.319 25449
5756 1 12 . 1 1 29 29 SER C C 29 175.600 175.600 175.362 0.238 25449
5757 1 12 . 1 1 29 29 SER CA C 29 61.300 61.300 59.260 2.040 25449
5758 1 12 . 1 1 29 29 SER CB C 29 62.200 62.200 63.186 -0.986 25449
5759 1 12 . 1 1 29 29 SER H H 29 8.880 8.880 7.757 1.123 25449
5760 1 12 . 1 1 30 30 SER N N 30 116.200 116.200 117.361 -1.161 25449
5761 1 12 . 1 1 30 30 SER HA H 30 3.940 3.940 4.323 -0.383 25449
5762 1 12 . 1 1 30 30 SER C C 30 174.900 174.900 175.565 -0.665 25449
5763 1 12 . 1 1 30 30 SER CA C 30 60.400 60.400 60.805 -0.405 25449
5764 1 12 . 1 1 30 30 SER CB C 30 62.400 62.400 63.294 -0.894 25449
5765 1 12 . 1 1 30 30 SER H H 30 7.270 7.270 7.927 -0.657 25449
5766 1 12 . 1 1 31 31 PHE N N 31 115.600 115.600 121.854 -6.254 25449
5767 1 12 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.604 -0.324 25449
5768 1 12 . 1 1 31 31 PHE C C 31 174.100 174.100 176.233 -2.133 25449
5769 1 12 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.864 0.036 25449
5770 1 12 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.410 -1.110 25449
5771 1 12 . 1 1 31 31 PHE H H 31 6.980 6.980 7.878 -0.898 25449
5772 1 12 . 1 1 32 32 GLY N N 32 104.900 104.900 106.901 -2.001 25449
5773 1 12 . 1 1 32 32 GLY C C 32 171.600 171.600 172.500 -0.900 25449
5774 1 12 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.308 -0.008 25449
5775 1 12 . 1 1 32 32 GLY H H 32 7.300 7.300 7.614 -0.314 25449
5776 1 12 . 1 1 33 33 ASP N N 33 116.100 116.100 126.082 -9.982 25449
5777 1 12 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.483 0.027 25449
5778 1 12 . 1 1 33 33 ASP C C 33 176.800 176.800 174.528 2.272 25449
5779 1 12 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.752 -0.352 25449
5780 1 12 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.076 -1.476 25449
5781 1 12 . 1 1 33 33 ASP H H 33 8.120 8.120 8.339 -0.219 25449
5782 1 12 . 1 1 34 34 ILE N N 34 126.400 126.400 118.315 8.085 25449
5783 1 12 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.158 -0.308 25449
5784 1 12 . 1 1 34 34 ILE C C 34 176.200 176.200 175.840 0.360 25449
5785 1 12 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.160 2.039 25449
5786 1 12 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.109 0.791 25449
5787 1 12 . 1 1 34 34 ILE H H 34 8.670 8.670 8.256 0.414 25449
5788 1 12 . 1 1 35 35 ARG N N 35 128.900 128.900 125.367 3.533 25449
5789 1 12 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.154 0.006 25449
5790 1 12 . 1 1 35 35 ARG C C 35 175.600 175.600 176.541 -0.941 25449
5791 1 12 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.281 -0.781 25449
5792 1 12 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.182 0.518 25449
5793 1 12 . 1 1 35 35 ARG H H 35 9.320 9.320 8.440 0.880 25449
5794 1 12 . 1 1 36 36 ASN N N 36 114.300 114.300 114.181 0.119 25449
5795 1 12 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.766 -0.056 25449
5796 1 12 . 1 1 36 36 ASN C C 36 172.000 172.000 172.838 -0.838 25449
5797 1 12 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.079 0.421 25449
5798 1 12 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.662 1.938 25449
5799 1 12 . 1 1 36 36 ASN H H 36 7.620 7.620 7.948 -0.328 25449
5800 1 12 . 1 1 37 37 ILE N N 37 122.700 122.700 121.203 1.497 25449
5801 1 12 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.305 0.465 25449
5802 1 12 . 1 1 37 37 ILE C C 37 173.300 173.300 174.242 -0.942 25449
5803 1 12 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.812 -1.212 25449
5804 1 12 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.374 -0.174 25449
5805 1 12 . 1 1 37 37 ILE H H 37 8.030 8.030 8.490 -0.460 25449
5806 1 12 . 1 1 38 38 GLU N N 38 126.700 126.700 129.473 -2.773 25449
5807 1 12 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.647 0.013 25449
5808 1 12 . 1 1 38 38 GLU C C 38 174.800 174.800 174.243 0.557 25449
5809 1 12 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.680 -1.280 25449
5810 1 12 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.330 2.070 25449
5811 1 12 . 1 1 38 38 GLU H H 38 8.870 8.870 8.483 0.387 25449
5812 1 12 . 1 1 39 39 VAL N N 39 126.400 126.400 126.146 0.254 25449
5813 1 12 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.894 0.806 25449
5814 1 12 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.742 -1.142 25449
5815 1 12 . 1 1 39 39 VAL H H 39 8.970 8.970 8.394 0.576 25449
5816 1 12 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.460 -0.230 25449
5817 1 12 . 1 1 40 40 PRO C C 40 176.300 176.300 175.164 1.136 25449
5818 1 12 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.950 0.350 25449
5819 1 12 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.327 0.173 25449
5820 1 12 . 1 1 41 41 LEU N N 41 120.700 120.700 123.285 -2.585 25449
5821 1 12 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.638 -0.118 25449
5822 1 12 . 1 1 41 41 LEU C C 41 177.900 177.900 175.844 2.056 25449
5823 1 12 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.139 -0.039 25449
5824 1 12 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.323 -1.023 25449
5825 1 12 . 1 1 41 41 LEU H H 41 8.520 8.520 8.209 0.311 25449
5826 1 12 . 1 1 42 42 ASN N N 42 121.400 121.400 122.166 -0.766 25449
5827 1 12 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.875 -0.315 25449
5828 1 12 . 1 1 42 42 ASN C C 42 176.700 176.700 176.323 0.377 25449
5829 1 12 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.420 0.480 25449
5830 1 12 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.042 -1.042 25449
5831 1 12 . 1 1 42 42 ASN H H 42 8.740 8.740 8.193 0.547 25449
5832 1 12 . 1 1 43 43 MET N N 43 125.500 125.500 124.139 1.361 25449
5833 1 12 . 1 1 43 43 MET HA H 43 4.210 4.210 4.363 -0.153 25449
5834 1 12 . 1 1 43 43 MET C C 43 177.200 177.200 177.018 0.182 25449
5835 1 12 . 1 1 43 43 MET CA C 43 57.100 57.100 57.585 -0.485 25449
5836 1 12 . 1 1 43 43 MET CB C 43 31.600 31.600 32.321 -0.721 25449
5837 1 12 . 1 1 43 43 MET H H 43 9.080 9.080 8.912 0.168 25449
5838 1 12 . 1 1 44 44 THR N N 44 114.400 114.400 114.438 -0.038 25449
5839 1 12 . 1 1 44 44 THR HA H 44 4.160 4.160 4.332 -0.172 25449
5840 1 12 . 1 1 44 44 THR C C 44 175.900 175.900 176.117 -0.217 25449
5841 1 12 . 1 1 44 44 THR CA C 44 65.200 65.200 65.103 0.097 25449
5842 1 12 . 1 1 44 44 THR CB C 44 68.700 68.700 69.248 -0.548 25449
5843 1 12 . 1 1 44 44 THR H H 44 8.590 8.590 7.995 0.595 25449
5844 1 12 . 1 1 45 45 THR N N 45 110.300 110.300 113.783 -3.483 25449
5845 1 12 . 1 1 45 45 THR HA H 45 4.160 4.160 4.364 -0.204 25449
5846 1 12 . 1 1 45 45 THR C C 45 175.500 175.500 173.903 1.597 25449
5847 1 12 . 1 1 45 45 THR CA C 45 62.000 62.000 61.380 0.620 25449
5848 1 12 . 1 1 45 45 THR CB C 45 70.000 70.000 69.437 0.563 25449
5849 1 12 . 1 1 45 45 THR H H 45 7.610 7.610 7.656 -0.046 25449
5850 1 12 . 1 1 46 46 LYS N N 46 115.700 115.700 121.113 -5.413 25449
5851 1 12 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.942 -0.222 25449
5852 1 12 . 1 1 46 46 LYS C C 46 174.600 174.600 173.971 0.629 25449
5853 1 12 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.296 0.304 25449
5854 1 12 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.252 -1.352 25449
5855 1 12 . 1 1 46 46 LYS H H 46 8.460 8.460 8.114 0.346 25449
5856 1 12 . 1 1 47 47 LYS N N 47 117.100 117.100 118.429 -1.329 25449
5857 1 12 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.539 0.141 25449
5858 1 12 . 1 1 47 47 LYS C C 47 176.300 176.300 176.598 -0.298 25449
5859 1 12 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.914 0.086 25449
5860 1 12 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.969 1.131 25449
5861 1 12 . 1 1 47 47 LYS H H 47 7.610 7.610 7.665 -0.055 25449
5862 1 12 . 1 1 48 48 ASN N N 48 117.700 117.700 119.497 -1.797 25449
5863 1 12 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.832 -0.132 25449
5864 1 12 . 1 1 48 48 ASN C C 48 174.000 174.000 175.585 -1.585 25449
5865 1 12 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.800 0.800 25449
5866 1 12 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.098 -1.398 25449
5867 1 12 . 1 1 48 48 ASN H H 48 8.740 8.740 8.636 0.104 25449
5868 1 12 . 1 1 49 49 ARG N N 49 116.800 116.800 116.327 0.473 25449
5869 1 12 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.995 0.355 25449
5870 1 12 . 1 1 49 49 ARG C C 49 177.500 177.500 176.504 0.996 25449
5871 1 12 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.535 -0.935 25449
5872 1 12 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.086 4.514 25449
5873 1 12 . 1 1 49 49 ARG H H 49 8.530 8.530 8.421 0.109 25449
5874 1 12 . 1 1 50 50 GLY N N 50 108.300 108.300 107.339 0.961 25449
5875 1 12 . 1 1 50 50 GLY C C 50 173.500 173.500 173.232 0.268 25449
5876 1 12 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.463 0.337 25449
5877 1 12 . 1 1 50 50 GLY H H 50 8.900 8.900 8.766 0.134 25449
5878 1 12 . 1 1 51 51 PHE N N 51 113.900 113.900 114.856 -0.956 25449
5879 1 12 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.616 0.854 25449
5880 1 12 . 1 1 51 51 PHE C C 51 172.000 172.000 172.431 -0.431 25449
5881 1 12 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.588 -0.588 25449
5882 1 12 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.491 2.209 25449
5883 1 12 . 1 1 51 51 PHE H H 51 6.910 6.910 7.394 -0.484 25449
5884 1 12 . 1 1 52 52 ALA N N 52 120.500 120.500 124.194 -3.694 25449
5885 1 12 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.586 0.044 25449
5886 1 12 . 1 1 52 52 ALA C C 52 173.900 173.900 174.877 -0.977 25449
5887 1 12 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.628 -0.428 25449
5888 1 12 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.137 2.963 25449
5889 1 12 . 1 1 52 52 ALA H H 52 8.810 8.810 7.620 1.190 25449
5890 1 12 . 1 1 53 53 PHE N N 53 115.000 115.000 119.995 -4.995 25449
5891 1 12 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.721 0.939 25449
5892 1 12 . 1 1 53 53 PHE C C 53 175.600 175.600 174.562 1.038 25449
5893 1 12 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.096 -1.896 25449
5894 1 12 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.873 0.527 25449
5895 1 12 . 1 1 53 53 PHE H H 53 8.730 8.730 8.916 -0.186 25449
5896 1 12 . 1 1 54 54 VAL N N 54 122.300 122.300 122.934 -0.634 25449
5897 1 12 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.220 -0.120 25449
5898 1 12 . 1 1 54 54 VAL C C 54 173.000 173.000 174.177 -1.177 25449
5899 1 12 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.590 0.110 25449
5900 1 12 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.326 0.074 25449
5901 1 12 . 1 1 54 54 VAL H H 54 9.060 9.060 8.179 0.881 25449
5902 1 12 . 1 1 55 55 GLU N N 55 127.300 127.300 126.280 1.020 25449
5903 1 12 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.795 0.365 25449
5904 1 12 . 1 1 55 55 GLU C C 55 175.900 175.900 175.649 0.251 25449
5905 1 12 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.638 -0.638 25449
5906 1 12 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.895 -0.195 25449
5907 1 12 . 1 1 55 55 GLU H H 55 8.860 8.860 8.132 0.728 25449
5908 1 12 . 1 1 56 56 TYR N N 56 127.500 127.500 123.221 4.279 25449
5909 1 12 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.491 0.029 25449
5910 1 12 . 1 1 56 56 TYR C C 56 175.000 175.000 176.236 -1.236 25449
5911 1 12 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.252 0.448 25449
5912 1 12 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.695 -0.495 25449
5913 1 12 . 1 1 56 56 TYR H H 56 9.470 9.470 8.047 1.423 25449
5914 1 12 . 1 1 57 57 VAL N N 57 119.200 119.200 119.509 -0.309 25449
5915 1 12 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.978 -0.408 25449
5916 1 12 . 1 1 57 57 VAL C C 57 177.000 177.000 175.324 1.676 25449
5917 1 12 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.990 2.310 25449
5918 1 12 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.486 -0.486 25449
5919 1 12 . 1 1 57 57 VAL H H 57 7.800 7.800 8.005 -0.205 25449
5920 1 12 . 1 1 58 58 GLU N N 58 118.500 118.500 119.337 -0.837 25449
5921 1 12 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.606 0.174 25449
5922 1 12 . 1 1 58 58 GLU C C 58 177.500 177.500 176.514 0.986 25449
5923 1 12 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.159 -1.359 25449
5924 1 12 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.596 -0.096 25449
5925 1 12 . 1 1 58 58 GLU H H 58 9.530 9.530 8.166 1.364 25449
5926 1 12 . 1 1 59 59 VAL N N 59 125.200 125.200 124.999 0.201 25449
5927 1 12 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.869 -0.339 25449
5928 1 12 . 1 1 59 59 VAL C C 59 177.600 177.600 176.980 0.620 25449
5929 1 12 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.079 1.021 25449
5930 1 12 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.245 -0.545 25449
5931 1 12 . 1 1 59 59 VAL H H 59 8.650 8.650 8.687 -0.037 25449
5932 1 12 . 1 1 60 60 ASP N N 60 118.500 118.500 119.411 -0.911 25449
5933 1 12 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.480 -0.260 25449
5934 1 12 . 1 1 60 60 ASP C C 60 178.300 178.300 177.762 0.538 25449
5935 1 12 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.666 -0.066 25449
5936 1 12 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.546 -0.046 25449
5937 1 12 . 1 1 60 60 ASP H H 60 8.970 8.970 8.524 0.446 25449
5938 1 12 . 1 1 61 61 ASP N N 61 119.900 119.900 119.954 -0.054 25449
5939 1 12 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.429 -0.069 25449
5940 1 12 . 1 1 61 61 ASP C C 61 176.800 176.800 178.491 -1.691 25449
5941 1 12 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.556 -0.656 25449
5942 1 12 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.451 -0.651 25449
5943 1 12 . 1 1 61 61 ASP H H 61 6.920 6.920 8.503 -1.583 25449
5944 1 12 . 1 1 62 62 ALA N N 62 122.700 122.700 122.102 0.598 25449
5945 1 12 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.241 0.139 25449
5946 1 12 . 1 1 62 62 ALA C C 62 171.600 171.600 179.239 -7.639 25449
5947 1 12 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.154 -0.054 25449
5948 1 12 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.262 -0.062 25449
5949 1 12 . 1 1 62 62 ALA H H 62 6.910 6.910 7.746 -0.836 25449
5950 1 12 . 1 1 63 63 LYS N N 63 116.200 116.200 118.169 -1.969 25449
5951 1 12 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.921 0.269 25449
5952 1 12 . 1 1 63 63 LYS C C 63 179.200 179.200 178.939 0.261 25449
5953 1 12 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.832 -0.532 25449
5954 1 12 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.842 0.758 25449
5955 1 12 . 1 1 63 63 LYS H H 63 8.020 8.020 8.029 -0.009 25449
5956 1 12 . 1 1 64 64 HIS N N 64 117.400 117.400 117.719 -0.319 25449
5957 1 12 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.402 -0.092 25449
5958 1 12 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.781 -0.781 25449
5959 1 12 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.097 -0.997 25449
5960 1 12 . 1 1 64 64 HIS H H 64 7.460 7.460 7.531 -0.071 25449
5961 1 12 . 1 1 65 65 ALA N N 65 123.700 123.700 122.789 0.911 25449
5962 1 12 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.929 -1.759 25449
5963 1 12 . 1 1 65 65 ALA C C 65 178.700 178.700 179.241 -0.541 25449
5964 1 12 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.996 -0.196 25449
5965 1 12 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.654 0.746 25449
5966 1 12 . 1 1 65 65 ALA H H 65 8.190 8.190 7.789 0.401 25449
5967 1 12 . 1 1 66 66 LEU N N 66 119.800 119.800 119.239 0.561 25449
5968 1 12 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.059 -0.629 25449
5969 1 12 . 1 1 66 66 LEU C C 66 178.700 178.700 179.015 -0.315 25449
5970 1 12 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.759 1.941 25449
5971 1 12 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.700 -0.600 25449
5972 1 12 . 1 1 66 66 LEU H H 66 8.340 8.340 7.519 0.821 25449
5973 1 12 . 1 1 67 67 TYR N N 67 116.200 116.200 118.764 -2.564 25449
5974 1 12 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.189 -0.179 25449
5975 1 12 . 1 1 67 67 TYR C C 67 177.700 177.700 177.188 0.512 25449
5976 1 12 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.522 -1.022 25449
5977 1 12 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.519 -0.419 25449
5978 1 12 . 1 1 67 67 TYR H H 67 7.760 7.760 7.890 -0.130 25449
5979 1 12 . 1 1 68 68 ASN N N 68 113.900 113.900 114.989 -1.089 25449
5980 1 12 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.667 -0.237 25449
5981 1 12 . 1 1 68 68 ASN C C 68 176.400 176.400 175.803 0.597 25449
5982 1 12 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.343 1.257 25449
5983 1 12 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.583 2.817 25449
5984 1 12 . 1 1 68 68 ASN H H 68 7.480 7.480 7.925 -0.445 25449
5985 1 12 . 1 1 69 69 MET N N 69 114.900 114.900 115.977 -1.077 25449
5986 1 12 . 1 1 69 69 MET HA H 69 4.760 4.760 4.563 0.197 25449
5987 1 12 . 1 1 69 69 MET C C 69 177.000 177.000 177.325 -0.325 25449
5988 1 12 . 1 1 69 69 MET CA C 69 53.500 53.500 54.157 -0.657 25449
5989 1 12 . 1 1 69 69 MET CB C 69 31.100 31.100 32.658 -1.558 25449
5990 1 12 . 1 1 69 69 MET H H 69 8.310 8.310 7.555 0.755 25449
5991 1 12 . 1 1 70 70 ASN N N 70 117.700 117.700 120.299 -2.599 25449
5992 1 12 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.497 -0.127 25449
5993 1 12 . 1 1 70 70 ASN C C 70 176.400 176.400 175.864 0.536 25449
5994 1 12 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.669 0.431 25449
5995 1 12 . 1 1 70 70 ASN CB C 70 38.700 38.700 37.788 0.912 25449
5996 1 12 . 1 1 70 70 ASN H H 70 7.660 7.660 8.444 -0.784 25449
5997 1 12 . 1 1 71 71 ASN N N 71 121.500 121.500 116.349 5.151 25449
5998 1 12 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.670 -0.160 25449
5999 1 12 . 1 1 71 71 ASN C C 71 173.300 173.300 174.548 -1.248 25449
6000 1 12 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.275 3.525 25449
6001 1 12 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.288 -0.088 25449
6002 1 12 . 1 1 71 71 ASN H H 71 8.600 8.600 8.207 0.393 25449
6003 1 12 . 1 1 72 72 PHE N N 72 122.300 122.300 123.006 -0.706 25449
6004 1 12 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.449 -0.259 25449
6005 1 12 . 1 1 72 72 PHE C C 72 174.100 174.100 173.934 0.166 25449
6006 1 12 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.688 1.012 25449
6007 1 12 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.130 1.170 25449
6008 1 12 . 1 1 72 72 PHE H H 72 7.870 7.870 7.501 0.369 25449
6009 1 12 . 1 1 73 73 GLU N N 73 126.100 126.100 127.360 -1.260 25449
6010 1 12 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.332 -0.102 25449
6011 1 12 . 1 1 73 73 GLU C C 73 173.000 173.000 174.280 -1.280 25449
6012 1 12 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.171 1.429 25449
6013 1 12 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.412 -1.112 25449
6014 1 12 . 1 1 73 73 GLU H H 73 7.690 7.690 8.150 -0.460 25449
6015 1 12 . 1 1 74 74 LEU N N 74 128.900 128.900 124.378 4.522 25449
6016 1 12 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.304 0.216 25449
6017 1 12 . 1 1 74 74 LEU C C 74 175.500 175.500 175.808 -0.308 25449
6018 1 12 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.646 -1.346 25449
6019 1 12 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.998 1.603 25449
6020 1 12 . 1 1 74 74 LEU H H 74 8.620 8.620 8.098 0.522 25449
6021 1 12 . 1 1 75 75 ASN N N 75 126.800 126.800 123.085 3.715 25449
6022 1 12 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.502 -0.292 25449
6023 1 12 . 1 1 75 75 ASN C C 75 175.600 175.600 175.582 0.018 25449
6024 1 12 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.280 0.620 25449
6025 1 12 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.724 -0.824 25449
6026 1 12 . 1 1 75 75 ASN H H 75 9.520 9.520 8.799 0.721 25449
6027 1 12 . 1 1 76 76 GLY N N 76 102.300 102.300 103.555 -1.255 25449
6028 1 12 . 1 1 76 76 GLY C C 76 173.600 173.600 173.523 0.077 25449
6029 1 12 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.479 -0.179 25449
6030 1 12 . 1 1 76 76 GLY H H 76 8.500 8.500 8.409 0.091 25449
6031 1 12 . 1 1 77 77 LYS N N 77 120.800 120.800 118.430 2.370 25449
6032 1 12 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.495 0.075 25449
6033 1 12 . 1 1 77 77 LYS C C 77 175.100 175.100 174.316 0.784 25449
6034 1 12 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.327 -0.126 25449
6035 1 12 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.910 -0.409 25449
6036 1 12 . 1 1 77 77 LYS H H 77 7.580 7.580 7.473 0.107 25449
6037 1 12 . 1 1 78 78 ARG N N 78 123.300 123.300 124.588 -1.288 25449
6038 1 12 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.474 0.006 25449
6039 1 12 . 1 1 78 78 ARG C C 78 176.600 176.600 175.852 0.748 25449
6040 1 12 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.229 0.071 25449
6041 1 12 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.982 -0.682 25449
6042 1 12 . 1 1 78 78 ARG H H 78 8.580 8.580 8.414 0.166 25449
6043 1 12 . 1 1 79 79 ILE N N 79 120.100 120.100 124.234 -4.134 25449
6044 1 12 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.258 0.442 25449
6045 1 12 . 1 1 79 79 ILE C C 79 175.200 175.200 175.513 -0.313 25449
6046 1 12 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.690 -0.690 25449
6047 1 12 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.509 0.891 25449
6048 1 12 . 1 1 79 79 ILE H H 79 8.450 8.450 8.436 0.014 25449
6049 1 12 . 1 1 80 80 HIS N N 80 119.900 119.900 125.539 -5.639 25449
6050 1 12 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.828 0.362 25449
6051 1 12 . 1 1 80 80 HIS C C 80 173.600 173.600 174.515 -0.915 25449
6052 1 12 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.500 -1.700 25449
6053 1 12 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.871 0.429 25449
6054 1 12 . 1 1 80 80 HIS H H 80 8.580 8.580 8.064 0.516 25449
6055 1 12 . 1 1 81 81 VAL N N 81 123.800 123.800 125.153 -1.353 25449
6056 1 12 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.813 0.467 25449
6057 1 12 . 1 1 81 81 VAL C C 81 173.600 173.600 174.689 -1.089 25449
6058 1 12 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.124 -0.924 25449
6059 1 12 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.254 1.746 25449
6060 1 12 . 1 1 81 81 VAL H H 81 8.650 8.650 8.598 0.052 25449
6061 1 12 . 1 1 82 82 ASN N N 82 121.100 121.100 123.160 -2.060 25449
6062 1 12 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.963 -0.213 25449
6063 1 12 . 1 1 82 82 ASN C C 82 174.000 174.000 172.749 1.251 25449
6064 1 12 . 1 1 82 82 ASN CA C 82 51.900 51.900 52.019 -0.118 25449
6065 1 12 . 1 1 82 82 ASN CB C 82 42.900 42.900 40.294 2.606 25449
6066 1 12 . 1 1 82 82 ASN H H 82 8.890 8.890 8.370 0.520 25449
6067 1 12 . 1 1 83 83 TYR N N 83 120.400 120.400 119.662 0.738 25449
6068 1 12 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.956 -0.156 25449
6069 1 12 . 1 1 83 83 TYR C C 83 177.100 177.100 175.450 1.650 25449
6070 1 12 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.267 1.133 25449
6071 1 12 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.348 -1.648 25449
6072 1 12 . 1 1 83 83 TYR H H 83 8.480 8.480 8.516 -0.036 25449
6073 1 12 . 1 1 84 84 SER N N 84 118.000 118.000 116.199 1.801 25449
6074 1 12 . 1 1 84 84 SER HA H 84 4.520 4.520 4.259 0.261 25449
6075 1 12 . 1 1 84 84 SER C C 84 174.100 174.100 172.532 1.568 25449
6076 1 12 . 1 1 84 84 SER CA C 84 57.700 57.700 56.006 1.694 25449
6077 1 12 . 1 1 84 84 SER CB C 84 64.300 64.300 64.776 -0.476 25449
6078 1 12 . 1 1 84 84 SER H H 84 9.040 9.040 7.287 1.753 25449
6079 1 12 . 1 1 85 85 LYS N N 85 125.300 125.300 121.504 3.796 25449
6080 1 12 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.478 -0.038 25449
6081 1 12 . 1 1 85 85 LYS C C 85 175.600 175.600 176.045 -0.445 25449
6082 1 12 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.860 1.440 25449
6083 1 12 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.401 0.298 25449
6084 1 12 . 1 1 85 85 LYS H H 85 8.410 8.410 8.198 0.212 25449
6085 1 13 . 1 1 -1 -1 SER N N -1 115.600 115.600 117.772 -2.172 25449
6086 1 13 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.544 -0.134 25449
6087 1 13 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.537 -2.537 25449
6088 1 13 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.844 -0.644 25449
6089 1 13 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.132 -0.232 25449
6090 1 13 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.349 0.321 25449
6091 1 13 . 1 1 0 0 HIS N N 0 121.200 121.200 122.647 -1.447 25449
6092 1 13 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.638 -0.048 25449
6093 1 13 . 1 1 0 0 HIS C C 0 174.800 174.800 173.651 1.149 25449
6094 1 13 . 1 1 0 0 HIS CA C 0 56.100 56.100 54.852 1.248 25449
6095 1 13 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.188 0.712 25449
6096 1 13 . 1 1 0 0 HIS H H 0 8.730 8.730 8.447 0.283 25449
6097 1 13 . 1 1 1 1 MET N N 1 121.800 121.800 120.156 1.644 25449
6098 1 13 . 1 1 1 1 MET HA H 1 4.370 4.370 4.641 -0.271 25449
6099 1 13 . 1 1 1 1 MET C C 1 176.300 176.300 175.603 0.697 25449
6100 1 13 . 1 1 1 1 MET CA C 1 55.700 55.700 54.075 1.625 25449
6101 1 13 . 1 1 1 1 MET CB C 1 32.800 32.800 33.956 -1.156 25449
6102 1 13 . 1 1 1 1 MET H H 1 8.450 8.450 7.531 0.919 25449
6103 1 13 . 1 1 2 2 SER N N 2 116.700 116.700 122.773 -6.073 25449
6104 1 13 . 1 1 2 2 SER HA H 2 4.370 4.370 4.358 0.012 25449
6105 1 13 . 1 1 2 2 SER C C 2 174.200 174.200 174.311 -0.111 25449
6106 1 13 . 1 1 2 2 SER CA C 2 58.400 58.400 58.941 -0.541 25449
6107 1 13 . 1 1 2 2 SER CB C 2 63.800 63.800 63.770 0.030 25449
6108 1 13 . 1 1 2 2 SER H H 2 8.410 8.410 8.538 -0.128 25449
6109 1 13 . 1 1 3 3 ASP N N 3 122.100 122.100 121.568 0.532 25449
6110 1 13 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.910 -0.360 25449
6111 1 13 . 1 1 3 3 ASP C C 3 176.100 176.100 174.203 1.897 25449
6112 1 13 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.463 0.037 25449
6113 1 13 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.785 -0.585 25449
6114 1 13 . 1 1 3 3 ASP H H 3 8.340 8.340 8.292 0.048 25449
6115 1 13 . 1 1 4 4 ASN N N 4 119.100 119.100 120.603 -1.503 25449
6116 1 13 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.878 -0.298 25449
6117 1 13 . 1 1 4 4 ASN C C 4 174.900 174.900 174.507 0.393 25449
6118 1 13 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.612 0.088 25449
6119 1 13 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.469 -0.569 25449
6120 1 13 . 1 1 4 4 ASN H H 4 8.420 8.420 8.243 0.177 25449
6121 1 13 . 1 1 5 5 ASN N N 5 118.400 118.400 117.828 0.572 25449
6122 1 13 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.418 0.122 25449
6123 1 13 . 1 1 5 5 ASN C C 5 173.900 173.900 175.118 -1.218 25449
6124 1 13 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.117 0.083 25449
6125 1 13 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.146 0.554 25449
6126 1 13 . 1 1 5 5 ASN H H 5 8.340 8.340 8.470 -0.130 25449
6127 1 13 . 1 1 6 6 ALA N N 6 122.100 122.100 121.180 0.920 25449
6128 1 13 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.075 -1.335 25449
6129 1 13 . 1 1 6 6 ALA C C 6 177.000 177.000 176.324 0.676 25449
6130 1 13 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.727 -0.427 25449
6131 1 13 . 1 1 6 6 ALA CB C 6 20.000 20.000 17.977 2.023 25449
6132 1 13 . 1 1 6 6 ALA H H 6 7.590 7.590 7.785 -0.195 25449
6133 1 13 . 1 1 7 7 THR N N 7 112.700 112.700 117.319 -4.619 25449
6134 1 13 . 1 1 7 7 THR HA H 7 4.390 4.390 4.470 -0.080 25449
6135 1 13 . 1 1 7 7 THR C C 7 171.700 171.700 175.074 -3.374 25449
6136 1 13 . 1 1 7 7 THR CA C 7 59.800 59.800 60.687 -0.887 25449
6137 1 13 . 1 1 7 7 THR CB C 7 70.600 70.600 70.169 0.431 25449
6138 1 13 . 1 1 7 7 THR H H 7 6.840 6.840 8.068 -1.228 25449
6139 1 13 . 1 1 8 8 ASP N N 8 114.600 114.600 119.972 -5.372 25449
6140 1 13 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.275 0.215 25449
6141 1 13 . 1 1 8 8 ASP C C 8 174.300 174.300 174.082 0.218 25449
6142 1 13 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.626 -2.126 25449
6143 1 13 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.877 -0.077 25449
6144 1 13 . 1 1 8 8 ASP H H 8 8.170 8.170 8.697 -0.527 25449
6145 1 13 . 1 1 9 9 ILE N N 9 117.800 117.800 119.187 -1.387 25449
6146 1 13 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.034 -0.224 25449
6147 1 13 . 1 1 9 9 ILE C C 9 174.700 174.700 174.250 0.450 25449
6148 1 13 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.368 0.232 25449
6149 1 13 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.262 0.038 25449
6150 1 13 . 1 1 9 9 ILE H H 9 7.890 7.890 7.470 0.420 25449
6151 1 13 . 1 1 10 10 LEU N N 10 125.300 125.300 127.007 -1.707 25449
6152 1 13 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.739 0.221 25449
6153 1 13 . 1 1 10 10 LEU C C 10 176.100 176.100 174.839 1.261 25449
6154 1 13 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.010 -1.110 25449
6155 1 13 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.232 -2.132 25449
6156 1 13 . 1 1 10 10 LEU H H 10 9.370 9.370 8.297 1.073 25449
6157 1 13 . 1 1 11 11 PHE N N 11 124.300 124.300 126.370 -2.070 25449
6158 1 13 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.527 0.143 25449
6159 1 13 . 1 1 11 11 PHE C C 11 173.400 173.400 174.134 -0.734 25449
6160 1 13 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.688 -0.688 25449
6161 1 13 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.913 -0.213 25449
6162 1 13 . 1 1 11 11 PHE H H 11 9.310 9.310 8.083 1.227 25449
6163 1 13 . 1 1 12 12 VAL N N 12 128.300 128.300 124.180 4.120 25449
6164 1 13 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.183 0.237 25449
6165 1 13 . 1 1 12 12 VAL C C 12 173.900 173.900 174.504 -0.604 25449
6166 1 13 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.094 0.106 25449
6167 1 13 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.506 -2.406 25449
6168 1 13 . 1 1 12 12 VAL H H 12 8.380 8.380 7.445 0.935 25449
6169 1 13 . 1 1 13 13 GLY N N 13 111.800 111.800 111.151 0.649 25449
6170 1 13 . 1 1 13 13 GLY C C 13 173.800 173.800 173.774 0.026 25449
6171 1 13 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.887 -0.487 25449
6172 1 13 . 1 1 13 13 GLY H H 13 9.150 9.150 8.498 0.652 25449
6173 1 13 . 1 1 14 14 GLY N N 14 107.600 107.600 106.884 0.716 25449
6174 1 13 . 1 1 14 14 GLY C C 14 175.400 175.400 173.825 1.575 25449
6175 1 13 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.831 0.969 25449
6176 1 13 . 1 1 14 14 GLY H H 14 8.260 8.260 8.439 -0.179 25449
6177 1 13 . 1 1 15 15 ILE N N 15 111.100 111.100 122.614 -11.514 25449
6178 1 13 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.291 -0.251 25449
6179 1 13 . 1 1 15 15 ILE C C 15 175.500 175.500 175.676 -0.176 25449
6180 1 13 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.883 1.617 25449
6181 1 13 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.214 -1.714 25449
6182 1 13 . 1 1 15 15 ILE H H 15 6.930 6.930 7.948 -1.018 25449
6183 1 13 . 1 1 16 16 ASP N N 16 122.800 122.800 120.676 2.124 25449
6184 1 13 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.463 0.117 25449
6185 1 13 . 1 1 16 16 ASP C C 16 177.200 177.200 176.605 0.595 25449
6186 1 13 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.783 -1.083 25449
6187 1 13 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.542 0.958 25449
6188 1 13 . 1 1 16 16 ASP H H 16 8.320 8.320 8.776 -0.456 25449
6189 1 13 . 1 1 17 17 GLU N N 17 119.600 119.600 115.114 4.486 25449
6190 1 13 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.199 -0.059 25449
6191 1 13 . 1 1 17 17 GLU C C 17 176.800 176.800 176.534 0.266 25449
6192 1 13 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.211 1.389 25449
6193 1 13 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.220 0.580 25449
6194 1 13 . 1 1 17 17 GLU H H 17 8.830 8.830 8.711 0.119 25449
6195 1 13 . 1 1 18 18 THR N N 18 111.300 111.300 113.845 -2.545 25449
6196 1 13 . 1 1 18 18 THR HA H 18 4.250 4.250 4.570 -0.320 25449
6197 1 13 . 1 1 18 18 THR C C 18 175.200 175.200 174.068 1.132 25449
6198 1 13 . 1 1 18 18 THR CA C 18 62.600 62.600 60.997 1.603 25449
6199 1 13 . 1 1 18 18 THR CB C 18 69.600 69.600 68.861 0.739 25449
6200 1 13 . 1 1 18 18 THR H H 18 8.740 8.740 7.712 1.028 25449
6201 1 13 . 1 1 19 19 ILE N N 19 123.300 123.300 119.643 3.657 25449
6202 1 13 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.385 -0.505 25449
6203 1 13 . 1 1 19 19 ILE C C 19 174.300 174.300 174.791 -0.491 25449
6204 1 13 . 1 1 19 19 ILE CA C 19 59.900 59.900 59.026 0.874 25449
6205 1 13 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.397 -3.797 25449
6206 1 13 . 1 1 19 19 ILE H H 19 7.220 7.220 7.374 -0.154 25449
6207 1 13 . 1 1 20 20 ASP N N 20 125.600 125.600 122.283 3.317 25449
6208 1 13 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.829 -0.189 25449
6209 1 13 . 1 1 20 20 ASP C C 20 175.300 175.300 176.350 -1.050 25449
6210 1 13 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.934 -1.434 25449
6211 1 13 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.656 -0.656 25449
6212 1 13 . 1 1 20 20 ASP H H 20 7.790 7.790 8.017 -0.227 25449
6213 1 13 . 1 1 21 21 GLU N N 21 118.400 118.400 122.653 -4.253 25449
6214 1 13 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.966 -0.336 25449
6215 1 13 . 1 1 21 21 GLU C C 21 177.900 177.900 178.304 -0.404 25449
6216 1 13 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.433 0.467 25449
6217 1 13 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.871 -0.671 25449
6218 1 13 . 1 1 21 21 GLU H H 21 9.220 9.220 9.004 0.216 25449
6219 1 13 . 1 1 22 22 LYS N N 22 119.700 119.700 117.678 2.022 25449
6220 1 13 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.182 -0.122 25449
6221 1 13 . 1 1 22 22 LYS C C 22 178.500 178.500 178.899 -0.399 25449
6222 1 13 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.673 0.627 25449
6223 1 13 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.745 0.055 25449
6224 1 13 . 1 1 22 22 LYS H H 22 8.040 8.040 8.449 -0.409 25449
6225 1 13 . 1 1 23 23 SER N N 23 114.900 114.900 116.808 -1.908 25449
6226 1 13 . 1 1 23 23 SER HA H 23 4.300 4.300 4.261 0.039 25449
6227 1 13 . 1 1 23 23 SER C C 23 177.600 177.600 176.198 1.402 25449
6228 1 13 . 1 1 23 23 SER CA C 23 61.800 61.800 61.386 0.414 25449
6229 1 13 . 1 1 23 23 SER CB C 23 62.900 62.900 62.755 0.145 25449
6230 1 13 . 1 1 23 23 SER H H 23 8.240 8.240 8.025 0.215 25449
6231 1 13 . 1 1 24 24 LEU N N 24 118.800 118.800 121.393 -2.593 25449
6232 1 13 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.122 0.058 25449
6233 1 13 . 1 1 24 24 LEU C C 24 178.700 178.700 178.773 -0.073 25449
6234 1 13 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.142 0.158 25449
6235 1 13 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.479 0.621 25449
6236 1 13 . 1 1 24 24 LEU H H 24 7.750 7.750 7.473 0.277 25449
6237 1 13 . 1 1 25 25 TYR N N 25 123.200 123.200 121.011 2.189 25449
6238 1 13 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.059 -0.429 25449
6239 1 13 . 1 1 25 25 TYR C C 25 178.600 178.600 177.258 1.342 25449
6240 1 13 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.843 1.357 25449
6241 1 13 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.571 -0.371 25449
6242 1 13 . 1 1 25 25 TYR H H 25 8.970 8.970 7.608 1.362 25449
6243 1 13 . 1 1 26 26 ASP N N 26 119.800 119.800 118.576 1.224 25449
6244 1 13 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.495 -0.225 25449
6245 1 13 . 1 1 26 26 ASP C C 26 177.900 177.900 178.244 -0.344 25449
6246 1 13 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.620 0.080 25449
6247 1 13 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.983 -0.983 25449
6248 1 13 . 1 1 26 26 ASP H H 26 8.510 8.510 7.815 0.695 25449
6249 1 13 . 1 1 27 27 ILE N N 27 114.700 114.700 119.773 -5.073 25449
6250 1 13 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.865 0.095 25449
6251 1 13 . 1 1 27 27 ILE C C 27 177.700 177.700 177.804 -0.104 25449
6252 1 13 . 1 1 27 27 ILE CA C 27 63.300 63.300 65.044 -1.744 25449
6253 1 13 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.232 0.768 25449
6254 1 13 . 1 1 27 27 ILE H H 27 7.320 7.320 7.562 -0.242 25449
6255 1 13 . 1 1 28 28 PHE N N 28 116.900 116.900 117.279 -0.379 25449
6256 1 13 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.532 -0.162 25449
6257 1 13 . 1 1 28 28 PHE C C 28 179.900 179.900 176.913 2.987 25449
6258 1 13 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.230 3.070 25449
6259 1 13 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.372 -1.072 25449
6260 1 13 . 1 1 28 28 PHE H H 28 8.650 8.650 8.157 0.493 25449
6261 1 13 . 1 1 29 29 SER N N 29 120.100 120.100 112.058 8.042 25449
6262 1 13 . 1 1 29 29 SER HA H 29 4.410 4.410 4.735 -0.325 25449
6263 1 13 . 1 1 29 29 SER C C 29 175.600 175.600 175.341 0.259 25449
6264 1 13 . 1 1 29 29 SER CA C 29 61.300 61.300 59.150 2.150 25449
6265 1 13 . 1 1 29 29 SER CB C 29 62.200 62.200 63.109 -0.909 25449
6266 1 13 . 1 1 29 29 SER H H 29 8.880 8.880 7.711 1.169 25449
6267 1 13 . 1 1 30 30 SER N N 30 116.200 116.200 117.114 -0.914 25449
6268 1 13 . 1 1 30 30 SER HA H 30 3.940 3.940 4.219 -0.279 25449
6269 1 13 . 1 1 30 30 SER C C 30 174.900 174.900 175.247 -0.347 25449
6270 1 13 . 1 1 30 30 SER CA C 30 60.400 60.400 60.662 -0.262 25449
6271 1 13 . 1 1 30 30 SER CB C 30 62.400 62.400 63.227 -0.827 25449
6272 1 13 . 1 1 30 30 SER H H 30 7.270 7.270 7.967 -0.697 25449
6273 1 13 . 1 1 31 31 PHE N N 31 115.600 115.600 121.555 -5.955 25449
6274 1 13 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.576 -0.296 25449
6275 1 13 . 1 1 31 31 PHE C C 31 174.100 174.100 176.289 -2.189 25449
6276 1 13 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.425 -0.525 25449
6277 1 13 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.373 -1.073 25449
6278 1 13 . 1 1 31 31 PHE H H 31 6.980 6.980 7.795 -0.815 25449
6279 1 13 . 1 1 32 32 GLY N N 32 104.900 104.900 106.748 -1.848 25449
6280 1 13 . 1 1 32 32 GLY C C 32 171.600 171.600 172.457 -0.857 25449
6281 1 13 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.269 0.031 25449
6282 1 13 . 1 1 32 32 GLY H H 32 7.300 7.300 7.619 -0.319 25449
6283 1 13 . 1 1 33 33 ASP N N 33 116.100 116.100 125.810 -9.710 25449
6284 1 13 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.471 0.039 25449
6285 1 13 . 1 1 33 33 ASP C C 33 176.800 176.800 174.506 2.294 25449
6286 1 13 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.593 -0.193 25449
6287 1 13 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.101 -1.501 25449
6288 1 13 . 1 1 33 33 ASP H H 33 8.120 8.120 8.374 -0.254 25449
6289 1 13 . 1 1 34 34 ILE N N 34 126.400 126.400 118.959 7.441 25449
6290 1 13 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.123 -0.273 25449
6291 1 13 . 1 1 34 34 ILE C C 34 176.200 176.200 176.282 -0.082 25449
6292 1 13 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.118 2.082 25449
6293 1 13 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.088 0.812 25449
6294 1 13 . 1 1 34 34 ILE H H 34 8.670 8.670 8.208 0.462 25449
6295 1 13 . 1 1 35 35 ARG N N 35 128.900 128.900 126.004 2.896 25449
6296 1 13 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.200 -0.040 25449
6297 1 13 . 1 1 35 35 ARG C C 35 175.600 175.600 176.061 -0.461 25449
6298 1 13 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.266 -0.766 25449
6299 1 13 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.149 0.551 25449
6300 1 13 . 1 1 35 35 ARG H H 35 9.320 9.320 8.391 0.929 25449
6301 1 13 . 1 1 36 36 ASN N N 36 114.300 114.300 114.567 -0.267 25449
6302 1 13 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.804 -0.094 25449
6303 1 13 . 1 1 36 36 ASN C C 36 172.000 172.000 172.897 -0.897 25449
6304 1 13 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.088 0.412 25449
6305 1 13 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.515 2.085 25449
6306 1 13 . 1 1 36 36 ASN H H 36 7.620 7.620 8.087 -0.467 25449
6307 1 13 . 1 1 37 37 ILE N N 37 122.700 122.700 122.452 0.248 25449
6308 1 13 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.397 0.373 25449
6309 1 13 . 1 1 37 37 ILE C C 37 173.300 173.300 174.836 -1.536 25449
6310 1 13 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.295 -0.695 25449
6311 1 13 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.226 0.974 25449
6312 1 13 . 1 1 37 37 ILE H H 37 8.030 8.030 8.534 -0.504 25449
6313 1 13 . 1 1 38 38 GLU N N 38 126.700 126.700 129.370 -2.670 25449
6314 1 13 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.573 0.087 25449
6315 1 13 . 1 1 38 38 GLU C C 38 174.800 174.800 174.602 0.198 25449
6316 1 13 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.837 -1.437 25449
6317 1 13 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.611 2.789 25449
6318 1 13 . 1 1 38 38 GLU H H 38 8.870 8.870 8.623 0.247 25449
6319 1 13 . 1 1 39 39 VAL N N 39 126.400 126.400 126.767 -0.367 25449
6320 1 13 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.221 -0.520 25449
6321 1 13 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.376 -0.776 25449
6322 1 13 . 1 1 39 39 VAL H H 39 8.970 8.970 8.403 0.567 25449
6323 1 13 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.475 -0.245 25449
6324 1 13 . 1 1 40 40 PRO C C 40 176.300 176.300 175.299 1.001 25449
6325 1 13 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.912 0.388 25449
6326 1 13 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.207 0.293 25449
6327 1 13 . 1 1 41 41 LEU N N 41 120.700 120.700 123.422 -2.722 25449
6328 1 13 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.780 -0.260 25449
6329 1 13 . 1 1 41 41 LEU C C 41 177.900 177.900 175.876 2.024 25449
6330 1 13 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.729 -0.629 25449
6331 1 13 . 1 1 41 41 LEU CB C 41 44.300 44.300 46.025 -1.725 25449
6332 1 13 . 1 1 41 41 LEU H H 41 8.520 8.520 8.225 0.295 25449
6333 1 13 . 1 1 42 42 ASN N N 42 121.400 121.400 120.940 0.460 25449
6334 1 13 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.986 -0.426 25449
6335 1 13 . 1 1 42 42 ASN C C 42 176.700 176.700 176.107 0.593 25449
6336 1 13 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.275 0.625 25449
6337 1 13 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.069 -1.069 25449
6338 1 13 . 1 1 42 42 ASN H H 42 8.740 8.740 8.425 0.315 25449
6339 1 13 . 1 1 43 43 MET N N 43 125.500 125.500 124.164 1.336 25449
6340 1 13 . 1 1 43 43 MET HA H 43 4.210 4.210 4.398 -0.188 25449
6341 1 13 . 1 1 43 43 MET C C 43 177.200 177.200 176.746 0.454 25449
6342 1 13 . 1 1 43 43 MET CA C 43 57.100 57.100 57.365 -0.265 25449
6343 1 13 . 1 1 43 43 MET CB C 43 31.600 31.600 32.430 -0.830 25449
6344 1 13 . 1 1 43 43 MET H H 43 9.080 9.080 8.975 0.105 25449
6345 1 13 . 1 1 44 44 THR N N 44 114.400 114.400 114.028 0.372 25449
6346 1 13 . 1 1 44 44 THR HA H 44 4.160 4.160 4.356 -0.196 25449
6347 1 13 . 1 1 44 44 THR C C 44 175.900 175.900 175.805 0.095 25449
6348 1 13 . 1 1 44 44 THR CA C 44 65.200 65.200 64.155 1.045 25449
6349 1 13 . 1 1 44 44 THR CB C 44 68.700 68.700 69.258 -0.558 25449
6350 1 13 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449
6351 1 13 . 1 1 45 45 THR N N 45 110.300 110.300 111.442 -1.142 25449
6352 1 13 . 1 1 45 45 THR HA H 45 4.160 4.160 4.395 -0.235 25449
6353 1 13 . 1 1 45 45 THR C C 45 175.500 175.500 174.382 1.118 25449
6354 1 13 . 1 1 45 45 THR CA C 45 62.000 62.000 61.696 0.304 25449
6355 1 13 . 1 1 45 45 THR CB C 45 70.000 70.000 69.864 0.136 25449
6356 1 13 . 1 1 45 45 THR H H 45 7.610 7.610 7.606 0.004 25449
6357 1 13 . 1 1 46 46 LYS N N 46 115.700 115.700 120.282 -4.582 25449
6358 1 13 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.883 -0.163 25449
6359 1 13 . 1 1 46 46 LYS C C 46 174.600 174.600 175.119 -0.519 25449
6360 1 13 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.405 0.195 25449
6361 1 13 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.816 -1.915 25449
6362 1 13 . 1 1 46 46 LYS H H 46 8.460 8.460 8.268 0.192 25449
6363 1 13 . 1 1 47 47 LYS N N 47 117.100 117.100 117.722 -0.622 25449
6364 1 13 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.153 0.527 25449
6365 1 13 . 1 1 47 47 LYS C C 47 176.300 176.300 177.087 -0.787 25449
6366 1 13 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.695 -2.695 25449
6367 1 13 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.559 2.541 25449
6368 1 13 . 1 1 47 47 LYS H H 47 7.610 7.610 7.415 0.195 25449
6369 1 13 . 1 1 48 48 ASN N N 48 117.700 117.700 120.294 -2.594 25449
6370 1 13 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.766 -0.066 25449
6371 1 13 . 1 1 48 48 ASN C C 48 174.000 174.000 175.519 -1.519 25449
6372 1 13 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.515 1.085 25449
6373 1 13 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.189 -1.489 25449
6374 1 13 . 1 1 48 48 ASN H H 48 8.740 8.740 8.823 -0.083 25449
6375 1 13 . 1 1 49 49 ARG N N 49 116.800 116.800 117.250 -0.450 25449
6376 1 13 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.043 0.307 25449
6377 1 13 . 1 1 49 49 ARG C C 49 177.500 177.500 176.427 1.073 25449
6378 1 13 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.575 -0.975 25449
6379 1 13 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.149 4.451 25449
6380 1 13 . 1 1 49 49 ARG H H 49 8.530 8.530 8.068 0.462 25449
6381 1 13 . 1 1 50 50 GLY N N 50 108.300 108.300 106.000 2.300 25449
6382 1 13 . 1 1 50 50 GLY C C 50 173.500 173.500 173.127 0.373 25449
6383 1 13 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.433 0.367 25449
6384 1 13 . 1 1 50 50 GLY H H 50 8.900 8.900 8.659 0.241 25449
6385 1 13 . 1 1 51 51 PHE N N 51 113.900 113.900 116.265 -2.365 25449
6386 1 13 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.833 0.637 25449
6387 1 13 . 1 1 51 51 PHE C C 51 172.000 172.000 172.532 -0.532 25449
6388 1 13 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.295 -0.295 25449
6389 1 13 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.959 1.741 25449
6390 1 13 . 1 1 51 51 PHE H H 51 6.910 6.910 7.370 -0.460 25449
6391 1 13 . 1 1 52 52 ALA N N 52 120.500 120.500 125.282 -4.782 25449
6392 1 13 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.689 -0.059 25449
6393 1 13 . 1 1 52 52 ALA C C 52 173.900 173.900 174.647 -0.747 25449
6394 1 13 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.386 -0.186 25449
6395 1 13 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.361 2.739 25449
6396 1 13 . 1 1 52 52 ALA H H 52 8.810 8.810 7.847 0.963 25449
6397 1 13 . 1 1 53 53 PHE N N 53 115.000 115.000 120.065 -5.065 25449
6398 1 13 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.743 0.917 25449
6399 1 13 . 1 1 53 53 PHE C C 53 175.600 175.600 175.166 0.434 25449
6400 1 13 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.887 -1.687 25449
6401 1 13 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.743 0.657 25449
6402 1 13 . 1 1 53 53 PHE H H 53 8.730 8.730 8.341 0.389 25449
6403 1 13 . 1 1 54 54 VAL N N 54 122.300 122.300 121.826 0.474 25449
6404 1 13 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.271 -0.171 25449
6405 1 13 . 1 1 54 54 VAL C C 54 173.000 173.000 174.201 -1.201 25449
6406 1 13 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.476 0.224 25449
6407 1 13 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.654 -0.253 25449
6408 1 13 . 1 1 54 54 VAL H H 54 9.060 9.060 8.552 0.508 25449
6409 1 13 . 1 1 55 55 GLU N N 55 127.300 127.300 126.456 0.844 25449
6410 1 13 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.699 0.461 25449
6411 1 13 . 1 1 55 55 GLU C C 55 175.900 175.900 175.597 0.303 25449
6412 1 13 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.022 -1.022 25449
6413 1 13 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.610 0.090 25449
6414 1 13 . 1 1 55 55 GLU H H 55 8.860 8.860 8.277 0.583 25449
6415 1 13 . 1 1 56 56 TYR N N 56 127.500 127.500 122.959 4.541 25449
6416 1 13 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.556 -0.036 25449
6417 1 13 . 1 1 56 56 TYR C C 56 175.000 175.000 176.665 -1.665 25449
6418 1 13 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.902 0.798 25449
6419 1 13 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.011 -0.811 25449
6420 1 13 . 1 1 56 56 TYR H H 56 9.470 9.470 7.919 1.551 25449
6421 1 13 . 1 1 57 57 VAL N N 57 119.200 119.200 119.126 0.074 25449
6422 1 13 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.034 -0.464 25449
6423 1 13 . 1 1 57 57 VAL C C 57 177.000 177.000 175.308 1.692 25449
6424 1 13 . 1 1 57 57 VAL CA C 57 66.300 66.300 63.582 2.718 25449
6425 1 13 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.550 -0.550 25449
6426 1 13 . 1 1 57 57 VAL H H 57 7.800 7.800 8.381 -0.581 25449
6427 1 13 . 1 1 58 58 GLU N N 58 118.500 118.500 119.293 -0.793 25449
6428 1 13 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.585 0.195 25449
6429 1 13 . 1 1 58 58 GLU C C 58 177.500 177.500 176.356 1.144 25449
6430 1 13 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.114 -1.314 25449
6431 1 13 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.873 -0.373 25449
6432 1 13 . 1 1 58 58 GLU H H 58 9.530 9.530 8.036 1.494 25449
6433 1 13 . 1 1 59 59 VAL N N 59 125.200 125.200 124.289 0.911 25449
6434 1 13 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.888 -0.358 25449
6435 1 13 . 1 1 59 59 VAL C C 59 177.600 177.600 177.069 0.531 25449
6436 1 13 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.035 1.065 25449
6437 1 13 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.271 -0.571 25449
6438 1 13 . 1 1 59 59 VAL H H 59 8.650 8.650 8.756 -0.106 25449
6439 1 13 . 1 1 60 60 ASP N N 60 118.500 118.500 119.559 -1.059 25449
6440 1 13 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.488 -0.268 25449
6441 1 13 . 1 1 60 60 ASP C C 60 178.300 178.300 177.939 0.361 25449
6442 1 13 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.946 -0.346 25449
6443 1 13 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.327 0.173 25449
6444 1 13 . 1 1 60 60 ASP H H 60 8.970 8.970 8.738 0.232 25449
6445 1 13 . 1 1 61 61 ASP N N 61 119.900 119.900 120.553 -0.653 25449
6446 1 13 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.363 -0.003 25449
6447 1 13 . 1 1 61 61 ASP C C 61 176.800 176.800 178.373 -1.573 25449
6448 1 13 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.523 -0.623 25449
6449 1 13 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.515 -0.715 25449
6450 1 13 . 1 1 61 61 ASP H H 61 6.920 6.920 8.581 -1.661 25449
6451 1 13 . 1 1 62 62 ALA N N 62 122.700 122.700 122.166 0.534 25449
6452 1 13 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.201 0.179 25449
6453 1 13 . 1 1 62 62 ALA C C 62 171.600 171.600 179.155 -7.555 25449
6454 1 13 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.867 0.233 25449
6455 1 13 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.158 0.042 25449
6456 1 13 . 1 1 62 62 ALA H H 62 6.910 6.910 7.864 -0.954 25449
6457 1 13 . 1 1 63 63 LYS N N 63 116.200 116.200 118.165 -1.965 25449
6458 1 13 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.867 0.323 25449
6459 1 13 . 1 1 63 63 LYS C C 63 179.200 179.200 179.386 -0.186 25449
6460 1 13 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.510 -0.210 25449
6461 1 13 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.416 0.184 25449
6462 1 13 . 1 1 63 63 LYS H H 63 8.020 8.020 7.437 0.583 25449
6463 1 13 . 1 1 64 64 HIS N N 64 117.400 117.400 117.161 0.239 25449
6464 1 13 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.263 0.047 25449
6465 1 13 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.558 -1.558 25449
6466 1 13 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.480 -0.380 25449
6467 1 13 . 1 1 64 64 HIS H H 64 7.460 7.460 7.791 -0.331 25449
6468 1 13 . 1 1 65 65 ALA N N 65 123.700 123.700 122.449 1.251 25449
6469 1 13 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.806 -1.636 25449
6470 1 13 . 1 1 65 65 ALA C C 65 178.700 178.700 178.990 -0.290 25449
6471 1 13 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.968 -0.168 25449
6472 1 13 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.597 0.803 25449
6473 1 13 . 1 1 65 65 ALA H H 65 8.190 8.190 7.928 0.262 25449
6474 1 13 . 1 1 66 66 LEU N N 66 119.800 119.800 118.611 1.189 25449
6475 1 13 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.979 -0.549 25449
6476 1 13 . 1 1 66 66 LEU C C 66 178.700 178.700 178.847 -0.147 25449
6477 1 13 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.619 2.081 25449
6478 1 13 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.318 -0.218 25449
6479 1 13 . 1 1 66 66 LEU H H 66 8.340 8.340 7.374 0.966 25449
6480 1 13 . 1 1 67 67 TYR N N 67 116.200 116.200 119.689 -3.489 25449
6481 1 13 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.101 -0.091 25449
6482 1 13 . 1 1 67 67 TYR C C 67 177.700 177.700 177.587 0.113 25449
6483 1 13 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.214 -1.714 25449
6484 1 13 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.590 -0.490 25449
6485 1 13 . 1 1 67 67 TYR H H 67 7.760 7.760 7.632 0.128 25449
6486 1 13 . 1 1 68 68 ASN N N 68 113.900 113.900 115.911 -2.011 25449
6487 1 13 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.548 -0.118 25449
6488 1 13 . 1 1 68 68 ASN C C 68 176.400 176.400 175.904 0.496 25449
6489 1 13 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.664 0.936 25449
6490 1 13 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.708 2.692 25449
6491 1 13 . 1 1 68 68 ASN H H 68 7.480 7.480 7.718 -0.238 25449
6492 1 13 . 1 1 69 69 MET N N 69 114.900 114.900 116.208 -1.308 25449
6493 1 13 . 1 1 69 69 MET HA H 69 4.760 4.760 4.470 0.290 25449
6494 1 13 . 1 1 69 69 MET C C 69 177.000 177.000 176.188 0.812 25449
6495 1 13 . 1 1 69 69 MET CA C 69 53.500 53.500 53.941 -0.441 25449
6496 1 13 . 1 1 69 69 MET CB C 69 31.100 31.100 31.776 -0.676 25449
6497 1 13 . 1 1 69 69 MET H H 69 8.310 8.310 7.337 0.973 25449
6498 1 13 . 1 1 70 70 ASN N N 70 117.700 117.700 116.632 1.068 25449
6499 1 13 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.581 -0.211 25449
6500 1 13 . 1 1 70 70 ASN C C 70 176.400 176.400 175.649 0.751 25449
6501 1 13 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.416 1.684 25449
6502 1 13 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.370 0.330 25449
6503 1 13 . 1 1 70 70 ASN H H 70 7.660 7.660 7.565 0.095 25449
6504 1 13 . 1 1 71 71 ASN N N 71 121.500 121.500 116.991 4.509 25449
6505 1 13 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.638 -0.129 25449
6506 1 13 . 1 1 71 71 ASN C C 71 173.300 173.300 174.711 -1.411 25449
6507 1 13 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.812 2.988 25449
6508 1 13 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.462 -0.262 25449
6509 1 13 . 1 1 71 71 ASN H H 71 8.600 8.600 8.002 0.598 25449
6510 1 13 . 1 1 72 72 PHE N N 72 122.300 122.300 122.201 0.099 25449
6511 1 13 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.510 -0.320 25449
6512 1 13 . 1 1 72 72 PHE C C 72 174.100 174.100 173.742 0.358 25449
6513 1 13 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.790 1.910 25449
6514 1 13 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.165 1.135 25449
6515 1 13 . 1 1 72 72 PHE H H 72 7.870 7.870 7.593 0.277 25449
6516 1 13 . 1 1 73 73 GLU N N 73 126.100 126.100 127.933 -1.833 25449
6517 1 13 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.416 -0.186 25449
6518 1 13 . 1 1 73 73 GLU C C 73 173.000 173.000 174.247 -1.247 25449
6519 1 13 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.536 1.064 25449
6520 1 13 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.312 -1.012 25449
6521 1 13 . 1 1 73 73 GLU H H 73 7.690 7.690 8.265 -0.575 25449
6522 1 13 . 1 1 74 74 LEU N N 74 128.900 128.900 125.767 3.133 25449
6523 1 13 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.234 0.286 25449
6524 1 13 . 1 1 74 74 LEU C C 74 175.500 175.500 175.958 -0.458 25449
6525 1 13 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.387 -1.087 25449
6526 1 13 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.059 1.541 25449
6527 1 13 . 1 1 74 74 LEU H H 74 8.620 8.620 8.070 0.550 25449
6528 1 13 . 1 1 75 75 ASN N N 75 126.800 126.800 122.286 4.514 25449
6529 1 13 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.455 -0.245 25449
6530 1 13 . 1 1 75 75 ASN C C 75 175.600 175.600 175.818 -0.218 25449
6531 1 13 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.714 0.186 25449
6532 1 13 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.006 -0.106 25449
6533 1 13 . 1 1 75 75 ASN H H 75 9.520 9.520 9.222 0.298 25449
6534 1 13 . 1 1 76 76 GLY N N 76 102.300 102.300 103.987 -1.687 25449
6535 1 13 . 1 1 76 76 GLY C C 76 173.600 173.600 173.915 -0.315 25449
6536 1 13 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.642 -0.342 25449
6537 1 13 . 1 1 76 76 GLY H H 76 8.500 8.500 8.514 -0.014 25449
6538 1 13 . 1 1 77 77 LYS N N 77 120.800 120.800 119.140 1.660 25449
6539 1 13 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.482 0.088 25449
6540 1 13 . 1 1 77 77 LYS C C 77 175.100 175.100 174.439 0.661 25449
6541 1 13 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.610 -0.410 25449
6542 1 13 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.013 -0.513 25449
6543 1 13 . 1 1 77 77 LYS H H 77 7.580 7.580 7.296 0.284 25449
6544 1 13 . 1 1 78 78 ARG N N 78 123.300 123.300 123.321 -0.021 25449
6545 1 13 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.469 0.011 25449
6546 1 13 . 1 1 78 78 ARG C C 78 176.600 176.600 175.696 0.904 25449
6547 1 13 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.197 1.103 25449
6548 1 13 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.683 -0.383 25449
6549 1 13 . 1 1 78 78 ARG H H 78 8.580 8.580 8.566 0.014 25449
6550 1 13 . 1 1 79 79 ILE N N 79 120.100 120.100 123.424 -3.324 25449
6551 1 13 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.430 0.270 25449
6552 1 13 . 1 1 79 79 ILE C C 79 175.200 175.200 174.983 0.217 25449
6553 1 13 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.205 -0.204 25449
6554 1 13 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.121 0.279 25449
6555 1 13 . 1 1 79 79 ILE H H 79 8.450 8.450 8.385 0.065 25449
6556 1 13 . 1 1 80 80 HIS N N 80 119.900 119.900 125.226 -5.326 25449
6557 1 13 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.681 0.509 25449
6558 1 13 . 1 1 80 80 HIS C C 80 173.600 173.600 174.496 -0.896 25449
6559 1 13 . 1 1 80 80 HIS CA C 80 53.800 53.800 56.178 -2.378 25449
6560 1 13 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.033 1.267 25449
6561 1 13 . 1 1 80 80 HIS H H 80 8.580 8.580 8.683 -0.103 25449
6562 1 13 . 1 1 81 81 VAL N N 81 123.800 123.800 125.022 -1.222 25449
6563 1 13 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.329 0.951 25449
6564 1 13 . 1 1 81 81 VAL C C 81 173.600 173.600 174.741 -1.141 25449
6565 1 13 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.615 -1.415 25449
6566 1 13 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.848 2.152 25449
6567 1 13 . 1 1 81 81 VAL H H 81 8.650 8.650 8.274 0.376 25449
6568 1 13 . 1 1 82 82 ASN N N 82 121.100 121.100 123.383 -2.283 25449
6569 1 13 . 1 1 82 82 ASN HA H 82 4.750 4.750 4.986 -0.236 25449
6570 1 13 . 1 1 82 82 ASN C C 82 174.000 174.000 173.499 0.501 25449
6571 1 13 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.824 0.076 25449
6572 1 13 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.490 1.410 25449
6573 1 13 . 1 1 82 82 ASN H H 82 8.890 8.890 8.507 0.383 25449
6574 1 13 . 1 1 83 83 TYR N N 83 120.400 120.400 120.559 -0.159 25449
6575 1 13 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.475 0.325 25449
6576 1 13 . 1 1 83 83 TYR C C 83 177.100 177.100 176.178 0.922 25449
6577 1 13 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.852 -0.452 25449
6578 1 13 . 1 1 83 83 TYR CB C 83 38.700 38.700 38.183 0.517 25449
6579 1 13 . 1 1 83 83 TYR H H 83 8.480 8.480 8.663 -0.183 25449
6580 1 13 . 1 1 84 84 SER N N 84 118.000 118.000 120.293 -2.293 25449
6581 1 13 . 1 1 84 84 SER HA H 84 4.520 4.520 4.495 0.025 25449
6582 1 13 . 1 1 84 84 SER C C 84 174.100 174.100 173.874 0.226 25449
6583 1 13 . 1 1 84 84 SER CA C 84 57.700 57.700 58.010 -0.310 25449
6584 1 13 . 1 1 84 84 SER CB C 84 64.300 64.300 64.195 0.105 25449
6585 1 13 . 1 1 84 84 SER H H 84 9.040 9.040 8.669 0.371 25449
6586 1 13 . 1 1 85 85 LYS N N 85 125.300 125.300 126.944 -1.644 25449
6587 1 13 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.074 0.366 25449
6588 1 13 . 1 1 85 85 LYS C C 85 175.600 175.600 176.364 -0.764 25449
6589 1 13 . 1 1 85 85 LYS CA C 85 56.300 56.300 57.000 -0.700 25449
6590 1 13 . 1 1 85 85 LYS CB C 85 33.700 33.700 31.727 1.973 25449
6591 1 13 . 1 1 85 85 LYS H H 85 8.410 8.410 8.707 -0.297 25449
6592 1 14 . 1 1 -1 -1 SER N N -1 115.600 115.600 118.585 -2.985 25449
6593 1 14 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.451 -0.041 25449
6594 1 14 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.164 -2.164 25449
6595 1 14 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.184 1.016 25449
6596 1 14 . 1 1 -1 -1 SER CB C -1 63.900 63.900 62.574 1.326 25449
6597 1 14 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.382 0.288 25449
6598 1 14 . 1 1 0 0 HIS N N 0 121.200 121.200 119.291 1.909 25449
6599 1 14 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.159 0.431 25449
6600 1 14 . 1 1 0 0 HIS C C 0 174.800 174.800 175.018 -0.218 25449
6601 1 14 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.960 -0.860 25449
6602 1 14 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.330 0.570 25449
6603 1 14 . 1 1 0 0 HIS H H 0 8.730 8.730 8.004 0.726 25449
6604 1 14 . 1 1 1 1 MET N N 1 121.800 121.800 121.612 0.188 25449
6605 1 14 . 1 1 1 1 MET HA H 1 4.370 4.370 4.454 -0.084 25449
6606 1 14 . 1 1 1 1 MET C C 1 176.300 176.300 177.198 -0.898 25449
6607 1 14 . 1 1 1 1 MET CA C 1 55.700 55.700 56.121 -0.421 25449
6608 1 14 . 1 1 1 1 MET CB C 1 32.800 32.800 31.478 1.322 25449
6609 1 14 . 1 1 1 1 MET H H 1 8.450 8.450 8.640 -0.190 25449
6610 1 14 . 1 1 2 2 SER N N 2 116.700 116.700 122.918 -6.218 25449
6611 1 14 . 1 1 2 2 SER HA H 2 4.370 4.370 4.596 -0.226 25449
6612 1 14 . 1 1 2 2 SER C C 2 174.200 174.200 174.669 -0.469 25449
6613 1 14 . 1 1 2 2 SER CA C 2 58.400 58.400 58.276 0.124 25449
6614 1 14 . 1 1 2 2 SER CB C 2 63.800 63.800 61.865 1.935 25449
6615 1 14 . 1 1 2 2 SER H H 2 8.410 8.410 8.724 -0.314 25449
6616 1 14 . 1 1 3 3 ASP N N 3 122.100 122.100 121.936 0.164 25449
6617 1 14 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.508 0.042 25449
6618 1 14 . 1 1 3 3 ASP C C 3 176.100 176.100 176.153 -0.053 25449
6619 1 14 . 1 1 3 3 ASP CA C 3 54.500 54.500 55.189 -0.689 25449
6620 1 14 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.141 0.059 25449
6621 1 14 . 1 1 3 3 ASP H H 3 8.340 8.340 8.223 0.117 25449
6622 1 14 . 1 1 4 4 ASN N N 4 119.100 119.100 118.058 1.042 25449
6623 1 14 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.755 -0.175 25449
6624 1 14 . 1 1 4 4 ASN C C 4 174.900 174.900 174.376 0.524 25449
6625 1 14 . 1 1 4 4 ASN CA C 4 53.700 53.700 53.103 0.597 25449
6626 1 14 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.928 -2.028 25449
6627 1 14 . 1 1 4 4 ASN H H 4 8.420 8.420 8.242 0.178 25449
6628 1 14 . 1 1 5 5 ASN N N 5 118.400 118.400 120.429 -2.029 25449
6629 1 14 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.518 0.022 25449
6630 1 14 . 1 1 5 5 ASN C C 5 173.900 173.900 174.271 -0.371 25449
6631 1 14 . 1 1 5 5 ASN CA C 5 53.200 53.200 54.173 -0.973 25449
6632 1 14 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.830 -0.130 25449
6633 1 14 . 1 1 5 5 ASN H H 5 8.340 8.340 8.670 -0.330 25449
6634 1 14 . 1 1 6 6 ALA N N 6 122.100 122.100 118.529 3.571 25449
6635 1 14 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.744 -1.004 25449
6636 1 14 . 1 1 6 6 ALA C C 6 177.000 177.000 175.784 1.216 25449
6637 1 14 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.470 -0.170 25449
6638 1 14 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.697 1.303 25449
6639 1 14 . 1 1 6 6 ALA H H 6 7.590 7.590 7.168 0.422 25449
6640 1 14 . 1 1 7 7 THR N N 7 112.700 112.700 118.647 -5.947 25449
6641 1 14 . 1 1 7 7 THR HA H 7 4.390 4.390 4.417 -0.027 25449
6642 1 14 . 1 1 7 7 THR C C 7 171.700 171.700 175.597 -3.897 25449
6643 1 14 . 1 1 7 7 THR CA C 7 59.800 59.800 60.794 -0.994 25449
6644 1 14 . 1 1 7 7 THR CB C 7 70.600 70.600 70.325 0.275 25449
6645 1 14 . 1 1 7 7 THR H H 7 6.840 6.840 8.039 -1.199 25449
6646 1 14 . 1 1 8 8 ASP N N 8 114.600 114.600 121.612 -7.012 25449
6647 1 14 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.262 0.228 25449
6648 1 14 . 1 1 8 8 ASP C C 8 174.300 174.300 174.308 -0.008 25449
6649 1 14 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.887 -2.387 25449
6650 1 14 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.773 0.027 25449
6651 1 14 . 1 1 8 8 ASP H H 8 8.170 8.170 8.782 -0.612 25449
6652 1 14 . 1 1 9 9 ILE N N 9 117.800 117.800 118.436 -0.636 25449
6653 1 14 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.388 0.422 25449
6654 1 14 . 1 1 9 9 ILE C C 9 174.700 174.700 174.066 0.634 25449
6655 1 14 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.653 -0.053 25449
6656 1 14 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.173 0.127 25449
6657 1 14 . 1 1 9 9 ILE H H 9 7.890 7.890 7.468 0.422 25449
6658 1 14 . 1 1 10 10 LEU N N 10 125.300 125.300 126.483 -1.183 25449
6659 1 14 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.836 0.124 25449
6660 1 14 . 1 1 10 10 LEU C C 10 176.100 176.100 174.748 1.352 25449
6661 1 14 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.097 -1.197 25449
6662 1 14 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.278 -2.178 25449
6663 1 14 . 1 1 10 10 LEU H H 10 9.370 9.370 8.359 1.011 25449
6664 1 14 . 1 1 11 11 PHE N N 11 124.300 124.300 126.881 -2.581 25449
6665 1 14 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.801 -0.131 25449
6666 1 14 . 1 1 11 11 PHE C C 11 173.400 173.400 173.264 0.136 25449
6667 1 14 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.230 0.770 25449
6668 1 14 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.081 -0.381 25449
6669 1 14 . 1 1 11 11 PHE H H 11 9.310 9.310 8.551 0.759 25449
6670 1 14 . 1 1 12 12 VAL N N 12 128.300 128.300 127.539 0.761 25449
6671 1 14 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.596 -0.176 25449
6672 1 14 . 1 1 12 12 VAL C C 12 173.900 173.900 174.473 -0.573 25449
6673 1 14 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.801 -0.601 25449
6674 1 14 . 1 1 12 12 VAL CB C 12 33.100 33.100 34.351 -1.251 25449
6675 1 14 . 1 1 12 12 VAL H H 12 8.380 8.380 7.904 0.476 25449
6676 1 14 . 1 1 13 13 GLY N N 13 111.800 111.800 112.707 -0.907 25449
6677 1 14 . 1 1 13 13 GLY C C 13 173.800 173.800 173.212 0.588 25449
6678 1 14 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.321 0.079 25449
6679 1 14 . 1 1 13 13 GLY H H 13 9.150 9.150 7.808 1.342 25449
6680 1 14 . 1 1 14 14 GLY N N 14 107.600 107.600 108.438 -0.838 25449
6681 1 14 . 1 1 14 14 GLY C C 14 175.400 175.400 173.908 1.492 25449
6682 1 14 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.970 0.830 25449
6683 1 14 . 1 1 14 14 GLY H H 14 8.260 8.260 8.127 0.133 25449
6684 1 14 . 1 1 15 15 ILE N N 15 111.100 111.100 117.194 -6.094 25449
6685 1 14 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.364 -0.324 25449
6686 1 14 . 1 1 15 15 ILE C C 15 175.500 175.500 175.065 0.435 25449
6687 1 14 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.258 1.242 25449
6688 1 14 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.353 -0.853 25449
6689 1 14 . 1 1 15 15 ILE H H 15 6.930 6.930 7.243 -0.313 25449
6690 1 14 . 1 1 16 16 ASP N N 16 122.800 122.800 122.720 0.080 25449
6691 1 14 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.621 -0.041 25449
6692 1 14 . 1 1 16 16 ASP C C 16 177.200 177.200 176.850 0.350 25449
6693 1 14 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.468 0.232 25449
6694 1 14 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.958 -0.458 25449
6695 1 14 . 1 1 16 16 ASP H H 16 8.320 8.320 8.581 -0.261 25449
6696 1 14 . 1 1 17 17 GLU N N 17 119.600 119.600 120.828 -1.228 25449
6697 1 14 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.175 -0.035 25449
6698 1 14 . 1 1 17 17 GLU C C 17 176.800 176.800 176.324 0.476 25449
6699 1 14 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.866 0.734 25449
6700 1 14 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.217 0.583 25449
6701 1 14 . 1 1 17 17 GLU H H 17 8.830 8.830 8.668 0.162 25449
6702 1 14 . 1 1 18 18 THR N N 18 111.300 111.300 115.664 -4.364 25449
6703 1 14 . 1 1 18 18 THR HA H 18 4.250 4.250 4.429 -0.179 25449
6704 1 14 . 1 1 18 18 THR C C 18 175.200 175.200 173.788 1.412 25449
6705 1 14 . 1 1 18 18 THR CA C 18 62.600 62.600 61.156 1.444 25449
6706 1 14 . 1 1 18 18 THR CB C 18 69.600 69.600 69.055 0.545 25449
6707 1 14 . 1 1 18 18 THR H H 18 8.740 8.740 7.789 0.951 25449
6708 1 14 . 1 1 19 19 ILE N N 19 123.300 123.300 119.604 3.696 25449
6709 1 14 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.581 -0.701 25449
6710 1 14 . 1 1 19 19 ILE C C 19 174.300 174.300 174.199 0.101 25449
6711 1 14 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.648 1.252 25449
6712 1 14 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.940 -3.340 25449
6713 1 14 . 1 1 19 19 ILE H H 19 7.220 7.220 7.243 -0.023 25449
6714 1 14 . 1 1 20 20 ASP N N 20 125.600 125.600 121.742 3.858 25449
6715 1 14 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.800 -0.160 25449
6716 1 14 . 1 1 20 20 ASP C C 20 175.300 175.300 176.487 -1.187 25449
6717 1 14 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.978 -1.478 25449
6718 1 14 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.226 -1.226 25449
6719 1 14 . 1 1 20 20 ASP H H 20 7.790 7.790 8.078 -0.288 25449
6720 1 14 . 1 1 21 21 GLU N N 21 118.400 118.400 120.893 -2.493 25449
6721 1 14 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.024 -0.395 25449
6722 1 14 . 1 1 21 21 GLU C C 21 177.900 177.900 177.736 0.164 25449
6723 1 14 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.178 0.723 25449
6724 1 14 . 1 1 21 21 GLU CB C 21 29.200 29.200 30.015 -0.815 25449
6725 1 14 . 1 1 21 21 GLU H H 21 9.220 9.220 8.894 0.326 25449
6726 1 14 . 1 1 22 22 LYS N N 22 119.700 119.700 118.182 1.518 25449
6727 1 14 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.305 -0.245 25449
6728 1 14 . 1 1 22 22 LYS C C 22 178.500 178.500 178.387 0.113 25449
6729 1 14 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.350 0.950 25449
6730 1 14 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.888 -0.088 25449
6731 1 14 . 1 1 22 22 LYS H H 22 8.040 8.040 8.380 -0.340 25449
6732 1 14 . 1 1 23 23 SER N N 23 114.900 114.900 117.038 -2.138 25449
6733 1 14 . 1 1 23 23 SER HA H 23 4.300 4.300 4.243 0.057 25449
6734 1 14 . 1 1 23 23 SER C C 23 177.600 177.600 176.431 1.169 25449
6735 1 14 . 1 1 23 23 SER CA C 23 61.800 61.800 61.117 0.682 25449
6736 1 14 . 1 1 23 23 SER CB C 23 62.900 62.900 62.816 0.084 25449
6737 1 14 . 1 1 23 23 SER H H 23 8.240 8.240 8.054 0.186 25449
6738 1 14 . 1 1 24 24 LEU N N 24 118.800 118.800 121.050 -2.250 25449
6739 1 14 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.165 0.015 25449
6740 1 14 . 1 1 24 24 LEU C C 24 178.700 178.700 178.871 -0.171 25449
6741 1 14 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.890 0.410 25449
6742 1 14 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.560 0.539 25449
6743 1 14 . 1 1 24 24 LEU H H 24 7.750 7.750 7.502 0.248 25449
6744 1 14 . 1 1 25 25 TYR N N 25 123.200 123.200 120.480 2.720 25449
6745 1 14 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.079 -0.449 25449
6746 1 14 . 1 1 25 25 TYR C C 25 178.600 178.600 177.303 1.297 25449
6747 1 14 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.228 1.972 25449
6748 1 14 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.402 -0.202 25449
6749 1 14 . 1 1 25 25 TYR H H 25 8.970 8.970 7.905 1.065 25449
6750 1 14 . 1 1 26 26 ASP N N 26 119.800 119.800 117.534 2.266 25449
6751 1 14 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.532 -0.262 25449
6752 1 14 . 1 1 26 26 ASP C C 26 177.900 177.900 177.888 0.012 25449
6753 1 14 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.112 0.588 25449
6754 1 14 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.150 -1.150 25449
6755 1 14 . 1 1 26 26 ASP H H 26 8.510 8.510 7.822 0.688 25449
6756 1 14 . 1 1 27 27 ILE N N 27 114.700 114.700 118.262 -3.562 25449
6757 1 14 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.939 0.021 25449
6758 1 14 . 1 1 27 27 ILE C C 27 177.700 177.700 178.083 -0.383 25449
6759 1 14 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.299 -0.999 25449
6760 1 14 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.465 0.535 25449
6761 1 14 . 1 1 27 27 ILE H H 27 7.320 7.320 7.580 -0.260 25449
6762 1 14 . 1 1 28 28 PHE N N 28 116.900 116.900 117.900 -1.000 25449
6763 1 14 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.520 -0.150 25449
6764 1 14 . 1 1 28 28 PHE C C 28 179.900 179.900 176.728 3.172 25449
6765 1 14 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.408 2.892 25449
6766 1 14 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.738 -1.438 25449
6767 1 14 . 1 1 28 28 PHE H H 28 8.650 8.650 7.939 0.711 25449
6768 1 14 . 1 1 29 29 SER N N 29 120.100 120.100 112.445 7.655 25449
6769 1 14 . 1 1 29 29 SER HA H 29 4.410 4.410 4.659 -0.249 25449
6770 1 14 . 1 1 29 29 SER C C 29 175.600 175.600 175.337 0.263 25449
6771 1 14 . 1 1 29 29 SER CA C 29 61.300 61.300 59.200 2.100 25449
6772 1 14 . 1 1 29 29 SER CB C 29 62.200 62.200 62.938 -0.737 25449
6773 1 14 . 1 1 29 29 SER H H 29 8.880 8.880 7.851 1.029 25449
6774 1 14 . 1 1 30 30 SER N N 30 116.200 116.200 117.366 -1.166 25449
6775 1 14 . 1 1 30 30 SER HA H 30 3.940 3.940 4.263 -0.323 25449
6776 1 14 . 1 1 30 30 SER C C 30 174.900 174.900 175.910 -1.010 25449
6777 1 14 . 1 1 30 30 SER CA C 30 60.400 60.400 60.761 -0.360 25449
6778 1 14 . 1 1 30 30 SER CB C 30 62.400 62.400 63.286 -0.886 25449
6779 1 14 . 1 1 30 30 SER H H 30 7.270 7.270 7.874 -0.604 25449
6780 1 14 . 1 1 31 31 PHE N N 31 115.600 115.600 121.102 -5.502 25449
6781 1 14 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.589 -0.309 25449
6782 1 14 . 1 1 31 31 PHE C C 31 174.100 174.100 176.211 -2.111 25449
6783 1 14 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.140 -0.240 25449
6784 1 14 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.151 -0.851 25449
6785 1 14 . 1 1 31 31 PHE H H 31 6.980 6.980 8.027 -1.047 25449
6786 1 14 . 1 1 32 32 GLY N N 32 104.900 104.900 107.388 -2.488 25449
6787 1 14 . 1 1 32 32 GLY C C 32 171.600 171.600 172.846 -1.246 25449
6788 1 14 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.406 -0.106 25449
6789 1 14 . 1 1 32 32 GLY H H 32 7.300 7.300 7.684 -0.384 25449
6790 1 14 . 1 1 33 33 ASP N N 33 116.100 116.100 125.601 -9.501 25449
6791 1 14 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.541 -0.031 25449
6792 1 14 . 1 1 33 33 ASP C C 33 176.800 176.800 174.716 2.084 25449
6793 1 14 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.254 0.146 25449
6794 1 14 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.468 -1.868 25449
6795 1 14 . 1 1 33 33 ASP H H 33 8.120 8.120 8.485 -0.365 25449
6796 1 14 . 1 1 34 34 ILE N N 34 126.400 126.400 119.306 7.094 25449
6797 1 14 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.095 -0.245 25449
6798 1 14 . 1 1 34 34 ILE C C 34 176.200 176.200 176.205 -0.005 25449
6799 1 14 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.526 1.674 25449
6800 1 14 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.562 0.338 25449
6801 1 14 . 1 1 34 34 ILE H H 34 8.670 8.670 8.007 0.663 25449
6802 1 14 . 1 1 35 35 ARG N N 35 128.900 128.900 125.837 3.063 25449
6803 1 14 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.169 -0.009 25449
6804 1 14 . 1 1 35 35 ARG C C 35 175.600 175.600 175.860 -0.260 25449
6805 1 14 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.199 -0.699 25449
6806 1 14 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.153 0.547 25449
6807 1 14 . 1 1 35 35 ARG H H 35 9.320 9.320 8.387 0.933 25449
6808 1 14 . 1 1 36 36 ASN N N 36 114.300 114.300 114.523 -0.223 25449
6809 1 14 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.754 -0.044 25449
6810 1 14 . 1 1 36 36 ASN C C 36 172.000 172.000 172.814 -0.814 25449
6811 1 14 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.302 0.198 25449
6812 1 14 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.386 2.215 25449
6813 1 14 . 1 1 36 36 ASN H H 36 7.620 7.620 8.096 -0.476 25449
6814 1 14 . 1 1 37 37 ILE N N 37 122.700 122.700 122.887 -0.187 25449
6815 1 14 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.374 0.396 25449
6816 1 14 . 1 1 37 37 ILE C C 37 173.300 173.300 174.514 -1.214 25449
6817 1 14 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.755 -0.155 25449
6818 1 14 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.382 0.818 25449
6819 1 14 . 1 1 37 37 ILE H H 37 8.030 8.030 8.503 -0.473 25449
6820 1 14 . 1 1 38 38 GLU N N 38 126.700 126.700 128.751 -2.051 25449
6821 1 14 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.577 0.083 25449
6822 1 14 . 1 1 38 38 GLU C C 38 174.800 174.800 174.625 0.175 25449
6823 1 14 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.560 -1.160 25449
6824 1 14 . 1 1 38 38 GLU CB C 38 33.400 33.400 30.644 2.756 25449
6825 1 14 . 1 1 38 38 GLU H H 38 8.870 8.870 8.486 0.384 25449
6826 1 14 . 1 1 39 39 VAL N N 39 126.400 126.400 126.712 -0.312 25449
6827 1 14 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.112 -0.412 25449
6828 1 14 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.285 -0.685 25449
6829 1 14 . 1 1 39 39 VAL H H 39 8.970 8.970 8.334 0.636 25449
6830 1 14 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.448 -0.218 25449
6831 1 14 . 1 1 40 40 PRO C C 40 176.300 176.300 175.356 0.944 25449
6832 1 14 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.891 0.409 25449
6833 1 14 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.350 0.150 25449
6834 1 14 . 1 1 41 41 LEU N N 41 120.700 120.700 123.456 -2.756 25449
6835 1 14 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.805 -0.285 25449
6836 1 14 . 1 1 41 41 LEU C C 41 177.900 177.900 175.933 1.967 25449
6837 1 14 . 1 1 41 41 LEU CA C 41 53.100 53.100 54.111 -1.011 25449
6838 1 14 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.536 -1.236 25449
6839 1 14 . 1 1 41 41 LEU H H 41 8.520 8.520 8.245 0.275 25449
6840 1 14 . 1 1 42 42 ASN N N 42 121.400 121.400 121.155 0.245 25449
6841 1 14 . 1 1 42 42 ASN HA H 42 4.560 4.560 5.065 -0.505 25449
6842 1 14 . 1 1 42 42 ASN C C 42 176.700 176.700 176.579 0.121 25449
6843 1 14 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.063 0.837 25449
6844 1 14 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.764 -1.764 25449
6845 1 14 . 1 1 42 42 ASN H H 42 8.740 8.740 8.643 0.097 25449
6846 1 14 . 1 1 43 43 MET N N 43 125.500 125.500 121.213 4.287 25449
6847 1 14 . 1 1 43 43 MET HA H 43 4.210 4.210 4.588 -0.378 25449
6848 1 14 . 1 1 43 43 MET C C 43 177.200 177.200 176.323 0.877 25449
6849 1 14 . 1 1 43 43 MET CA C 43 57.100 57.100 57.518 -0.418 25449
6850 1 14 . 1 1 43 43 MET CB C 43 31.600 31.600 32.329 -0.729 25449
6851 1 14 . 1 1 43 43 MET H H 43 9.080 9.080 8.686 0.394 25449
6852 1 14 . 1 1 44 44 THR N N 44 114.400 114.400 115.633 -1.233 25449
6853 1 14 . 1 1 44 44 THR HA H 44 4.160 4.160 4.328 -0.168 25449
6854 1 14 . 1 1 44 44 THR C C 44 175.900 175.900 175.998 -0.098 25449
6855 1 14 . 1 1 44 44 THR CA C 44 65.200 65.200 64.887 0.313 25449
6856 1 14 . 1 1 44 44 THR CB C 44 68.700 68.700 68.973 -0.273 25449
6857 1 14 . 1 1 44 44 THR H H 44 8.590 8.590 8.042 0.548 25449
6858 1 14 . 1 1 45 45 THR N N 45 110.300 110.300 113.872 -3.572 25449
6859 1 14 . 1 1 45 45 THR HA H 45 4.160 4.160 4.405 -0.245 25449
6860 1 14 . 1 1 45 45 THR C C 45 175.500 175.500 174.010 1.490 25449
6861 1 14 . 1 1 45 45 THR CA C 45 62.000 62.000 61.502 0.498 25449
6862 1 14 . 1 1 45 45 THR CB C 45 70.000 70.000 69.424 0.577 25449
6863 1 14 . 1 1 45 45 THR H H 45 7.610 7.610 7.692 -0.082 25449
6864 1 14 . 1 1 46 46 LYS N N 46 115.700 115.700 121.156 -5.456 25449
6865 1 14 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.948 -0.228 25449
6866 1 14 . 1 1 46 46 LYS C C 46 174.600 174.600 174.991 -0.391 25449
6867 1 14 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.308 0.292 25449
6868 1 14 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.725 -1.825 25449
6869 1 14 . 1 1 46 46 LYS H H 46 8.460 8.460 7.871 0.589 25449
6870 1 14 . 1 1 47 47 LYS N N 47 117.100 117.100 116.514 0.586 25449
6871 1 14 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.166 0.514 25449
6872 1 14 . 1 1 47 47 LYS C C 47 176.300 176.300 177.221 -0.921 25449
6873 1 14 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.219 -2.219 25449
6874 1 14 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.736 2.365 25449
6875 1 14 . 1 1 47 47 LYS H H 47 7.610 7.610 7.926 -0.316 25449
6876 1 14 . 1 1 48 48 ASN N N 48 117.700 117.700 119.596 -1.896 25449
6877 1 14 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.670 0.030 25449
6878 1 14 . 1 1 48 48 ASN C C 48 174.000 174.000 175.438 -1.438 25449
6879 1 14 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.325 1.275 25449
6880 1 14 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.267 -1.567 25449
6881 1 14 . 1 1 48 48 ASN H H 48 8.740 8.740 8.681 0.059 25449
6882 1 14 . 1 1 49 49 ARG N N 49 116.800 116.800 117.271 -0.471 25449
6883 1 14 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.021 0.329 25449
6884 1 14 . 1 1 49 49 ARG C C 49 177.500 177.500 176.488 1.012 25449
6885 1 14 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.459 -0.859 25449
6886 1 14 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.106 4.494 25449
6887 1 14 . 1 1 49 49 ARG H H 49 8.530 8.530 8.495 0.035 25449
6888 1 14 . 1 1 50 50 GLY N N 50 108.300 108.300 106.356 1.944 25449
6889 1 14 . 1 1 50 50 GLY C C 50 173.500 173.500 173.473 0.027 25449
6890 1 14 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.346 0.454 25449
6891 1 14 . 1 1 50 50 GLY H H 50 8.900 8.900 8.765 0.135 25449
6892 1 14 . 1 1 51 51 PHE N N 51 113.900 113.900 116.406 -2.506 25449
6893 1 14 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.534 0.936 25449
6894 1 14 . 1 1 51 51 PHE C C 51 172.000 172.000 171.951 0.049 25449
6895 1 14 . 1 1 51 51 PHE CA C 51 55.000 55.000 56.130 -1.130 25449
6896 1 14 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.518 2.182 25449
6897 1 14 . 1 1 51 51 PHE H H 51 6.910 6.910 7.418 -0.508 25449
6898 1 14 . 1 1 52 52 ALA N N 52 120.500 120.500 125.575 -5.075 25449
6899 1 14 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.590 0.040 25449
6900 1 14 . 1 1 52 52 ALA C C 52 173.900 173.900 174.676 -0.776 25449
6901 1 14 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.932 -0.732 25449
6902 1 14 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.320 2.780 25449
6903 1 14 . 1 1 52 52 ALA H H 52 8.810 8.810 7.842 0.968 25449
6904 1 14 . 1 1 53 53 PHE N N 53 115.000 115.000 120.248 -5.248 25449
6905 1 14 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.722 0.938 25449
6906 1 14 . 1 1 53 53 PHE C C 53 175.600 175.600 175.166 0.434 25449
6907 1 14 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.311 -2.111 25449
6908 1 14 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.273 1.127 25449
6909 1 14 . 1 1 53 53 PHE H H 53 8.730 8.730 8.101 0.629 25449
6910 1 14 . 1 1 54 54 VAL N N 54 122.300 122.300 121.096 1.204 25449
6911 1 14 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.322 -0.222 25449
6912 1 14 . 1 1 54 54 VAL C C 54 173.000 173.000 174.197 -1.197 25449
6913 1 14 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.415 0.285 25449
6914 1 14 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.779 0.621 25449
6915 1 14 . 1 1 54 54 VAL H H 54 9.060 9.060 8.391 0.669 25449
6916 1 14 . 1 1 55 55 GLU N N 55 127.300 127.300 126.518 0.782 25449
6917 1 14 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.728 0.432 25449
6918 1 14 . 1 1 55 55 GLU C C 55 175.900 175.900 175.612 0.288 25449
6919 1 14 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.837 -0.837 25449
6920 1 14 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.332 -0.632 25449
6921 1 14 . 1 1 55 55 GLU H H 55 8.860 8.860 8.226 0.634 25449
6922 1 14 . 1 1 56 56 TYR N N 56 127.500 127.500 124.153 3.347 25449
6923 1 14 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.571 -0.051 25449
6924 1 14 . 1 1 56 56 TYR C C 56 175.000 175.000 176.879 -1.879 25449
6925 1 14 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.362 1.338 25449
6926 1 14 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.569 -0.369 25449
6927 1 14 . 1 1 56 56 TYR H H 56 9.470 9.470 8.072 1.398 25449
6928 1 14 . 1 1 57 57 VAL N N 57 119.200 119.200 121.536 -2.336 25449
6929 1 14 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.914 -0.344 25449
6930 1 14 . 1 1 57 57 VAL C C 57 177.000 177.000 176.722 0.278 25449
6931 1 14 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.240 1.060 25449
6932 1 14 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.121 -0.121 25449
6933 1 14 . 1 1 57 57 VAL H H 57 7.800 7.800 7.934 -0.134 25449
6934 1 14 . 1 1 58 58 GLU N N 58 118.500 118.500 117.435 1.065 25449
6935 1 14 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.580 0.200 25449
6936 1 14 . 1 1 58 58 GLU C C 58 177.500 177.500 177.398 0.102 25449
6937 1 14 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.757 -1.957 25449
6938 1 14 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.023 -0.523 25449
6939 1 14 . 1 1 58 58 GLU H H 58 9.530 9.530 8.162 1.368 25449
6940 1 14 . 1 1 59 59 VAL N N 59 125.200 125.200 122.030 3.170 25449
6941 1 14 . 1 1 59 59 VAL HA H 59 3.530 3.530 4.015 -0.485 25449
6942 1 14 . 1 1 59 59 VAL C C 59 177.600 177.600 176.825 0.775 25449
6943 1 14 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.951 1.149 25449
6944 1 14 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.589 -0.889 25449
6945 1 14 . 1 1 59 59 VAL H H 59 8.650 8.650 8.491 0.159 25449
6946 1 14 . 1 1 60 60 ASP N N 60 118.500 118.500 120.723 -2.223 25449
6947 1 14 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.393 -0.173 25449
6948 1 14 . 1 1 60 60 ASP C C 60 178.300 178.300 177.593 0.707 25449
6949 1 14 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.681 -0.082 25449
6950 1 14 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.730 -0.230 25449
6951 1 14 . 1 1 60 60 ASP H H 60 8.970 8.970 8.611 0.359 25449
6952 1 14 . 1 1 61 61 ASP N N 61 119.900 119.900 119.605 0.295 25449
6953 1 14 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.506 -0.146 25449
6954 1 14 . 1 1 61 61 ASP C C 61 176.800 176.800 178.319 -1.519 25449
6955 1 14 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.298 -0.398 25449
6956 1 14 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.575 -0.775 25449
6957 1 14 . 1 1 61 61 ASP H H 61 6.920 6.920 8.645 -1.725 25449
6958 1 14 . 1 1 62 62 ALA N N 62 122.700 122.700 122.598 0.102 25449
6959 1 14 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.550 -0.170 25449
6960 1 14 . 1 1 62 62 ALA C C 62 171.600 171.600 179.360 -7.760 25449
6961 1 14 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.948 0.152 25449
6962 1 14 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.342 -0.142 25449
6963 1 14 . 1 1 62 62 ALA H H 62 6.910 6.910 7.657 -0.747 25449
6964 1 14 . 1 1 63 63 LYS N N 63 116.200 116.200 118.567 -2.367 25449
6965 1 14 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.990 0.200 25449
6966 1 14 . 1 1 63 63 LYS C C 63 179.200 179.200 179.336 -0.136 25449
6967 1 14 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.138 0.162 25449
6968 1 14 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.010 0.590 25449
6969 1 14 . 1 1 63 63 LYS H H 63 8.020 8.020 7.676 0.344 25449
6970 1 14 . 1 1 64 64 HIS N N 64 117.400 117.400 117.782 -0.382 25449
6971 1 14 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.291 0.019 25449
6972 1 14 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.203 -1.203 25449
6973 1 14 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.486 -0.386 25449
6974 1 14 . 1 1 64 64 HIS H H 64 7.460 7.460 7.553 -0.093 25449
6975 1 14 . 1 1 65 65 ALA N N 65 123.700 123.700 122.392 1.308 25449
6976 1 14 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.891 -1.721 25449
6977 1 14 . 1 1 65 65 ALA C C 65 178.700 178.700 178.491 0.209 25449
6978 1 14 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.780 0.020 25449
6979 1 14 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.832 0.568 25449
6980 1 14 . 1 1 65 65 ALA H H 65 8.190 8.190 7.602 0.588 25449
6981 1 14 . 1 1 66 66 LEU N N 66 119.800 119.800 118.312 1.488 25449
6982 1 14 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.026 -0.596 25449
6983 1 14 . 1 1 66 66 LEU C C 66 178.700 178.700 179.098 -0.398 25449
6984 1 14 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.637 2.063 25449
6985 1 14 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.671 -0.571 25449
6986 1 14 . 1 1 66 66 LEU H H 66 8.340 8.340 7.421 0.919 25449
6987 1 14 . 1 1 67 67 TYR N N 67 116.200 116.200 120.159 -3.959 25449
6988 1 14 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.155 -0.145 25449
6989 1 14 . 1 1 67 67 TYR C C 67 177.700 177.700 177.500 0.200 25449
6990 1 14 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.092 -1.592 25449
6991 1 14 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.440 -0.340 25449
6992 1 14 . 1 1 67 67 TYR H H 67 7.760 7.760 7.896 -0.136 25449
6993 1 14 . 1 1 68 68 ASN N N 68 113.900 113.900 115.425 -1.525 25449
6994 1 14 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.571 -0.141 25449
6995 1 14 . 1 1 68 68 ASN C C 68 176.400 176.400 176.167 0.233 25449
6996 1 14 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.943 0.657 25449
6997 1 14 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.429 2.971 25449
6998 1 14 . 1 1 68 68 ASN H H 68 7.480 7.480 7.856 -0.376 25449
6999 1 14 . 1 1 69 69 MET N N 69 114.900 114.900 115.598 -0.698 25449
7000 1 14 . 1 1 69 69 MET HA H 69 4.760 4.760 4.505 0.256 25449
7001 1 14 . 1 1 69 69 MET C C 69 177.000 177.000 176.988 0.012 25449
7002 1 14 . 1 1 69 69 MET CA C 69 53.500 53.500 54.391 -0.891 25449
7003 1 14 . 1 1 69 69 MET CB C 69 31.100 31.100 32.197 -1.097 25449
7004 1 14 . 1 1 69 69 MET H H 69 8.310 8.310 7.456 0.854 25449
7005 1 14 . 1 1 70 70 ASN N N 70 117.700 117.700 118.734 -1.034 25449
7006 1 14 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.711 -0.341 25449
7007 1 14 . 1 1 70 70 ASN C C 70 176.400 176.400 176.049 0.351 25449
7008 1 14 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.494 0.606 25449
7009 1 14 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.168 -0.468 25449
7010 1 14 . 1 1 70 70 ASN H H 70 7.660 7.660 7.687 -0.027 25449
7011 1 14 . 1 1 71 71 ASN N N 71 121.500 121.500 116.619 4.881 25449
7012 1 14 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.680 -0.170 25449
7013 1 14 . 1 1 71 71 ASN C C 71 173.300 173.300 174.513 -1.213 25449
7014 1 14 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.150 2.650 25449
7015 1 14 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.406 -0.206 25449
7016 1 14 . 1 1 71 71 ASN H H 71 8.600 8.600 8.335 0.265 25449
7017 1 14 . 1 1 72 72 PHE N N 72 122.300 122.300 120.724 1.576 25449
7018 1 14 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.619 -0.429 25449
7019 1 14 . 1 1 72 72 PHE C C 72 174.100 174.100 173.723 0.377 25449
7020 1 14 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.776 1.924 25449
7021 1 14 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.965 -0.665 25449
7022 1 14 . 1 1 72 72 PHE H H 72 7.870 7.870 7.431 0.439 25449
7023 1 14 . 1 1 73 73 GLU N N 73 126.100 126.100 126.162 -0.062 25449
7024 1 14 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.532 -0.302 25449
7025 1 14 . 1 1 73 73 GLU C C 73 173.000 173.000 173.987 -0.987 25449
7026 1 14 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.340 1.260 25449
7027 1 14 . 1 1 73 73 GLU CB C 73 30.300 30.300 32.087 -1.787 25449
7028 1 14 . 1 1 73 73 GLU H H 73 7.690 7.690 7.584 0.106 25449
7029 1 14 . 1 1 74 74 LEU N N 74 128.900 128.900 127.151 1.749 25449
7030 1 14 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.302 0.218 25449
7031 1 14 . 1 1 74 74 LEU C C 74 175.500 175.500 175.800 -0.300 25449
7032 1 14 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.384 -1.084 25449
7033 1 14 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.763 1.837 25449
7034 1 14 . 1 1 74 74 LEU H H 74 8.620 8.620 8.161 0.459 25449
7035 1 14 . 1 1 75 75 ASN N N 75 126.800 126.800 122.011 4.789 25449
7036 1 14 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.490 -0.280 25449
7037 1 14 . 1 1 75 75 ASN C C 75 175.600 175.600 175.513 0.087 25449
7038 1 14 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.895 0.006 25449
7039 1 14 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.245 -0.345 25449
7040 1 14 . 1 1 75 75 ASN H H 75 9.520 9.520 9.062 0.458 25449
7041 1 14 . 1 1 76 76 GLY N N 76 102.300 102.300 102.186 0.114 25449
7042 1 14 . 1 1 76 76 GLY C C 76 173.600 173.600 173.527 0.073 25449
7043 1 14 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.339 -0.039 25449
7044 1 14 . 1 1 76 76 GLY H H 76 8.500 8.500 8.445 0.055 25449
7045 1 14 . 1 1 77 77 LYS N N 77 120.800 120.800 118.409 2.391 25449
7046 1 14 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.501 0.069 25449
7047 1 14 . 1 1 77 77 LYS C C 77 175.100 175.100 174.216 0.884 25449
7048 1 14 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.590 -0.390 25449
7049 1 14 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.833 -0.333 25449
7050 1 14 . 1 1 77 77 LYS H H 77 7.580 7.580 7.561 0.019 25449
7051 1 14 . 1 1 78 78 ARG N N 78 123.300 123.300 124.107 -0.807 25449
7052 1 14 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.454 0.026 25449
7053 1 14 . 1 1 78 78 ARG C C 78 176.600 176.600 175.746 0.854 25449
7054 1 14 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.473 -0.173 25449
7055 1 14 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.003 -0.703 25449
7056 1 14 . 1 1 78 78 ARG H H 78 8.580 8.580 8.503 0.077 25449
7057 1 14 . 1 1 79 79 ILE N N 79 120.100 120.100 124.071 -3.971 25449
7058 1 14 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.446 0.254 25449
7059 1 14 . 1 1 79 79 ILE C C 79 175.200 175.200 174.508 0.692 25449
7060 1 14 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.503 0.497 25449
7061 1 14 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.842 0.558 25449
7062 1 14 . 1 1 79 79 ILE H H 79 8.450 8.450 8.556 -0.106 25449
7063 1 14 . 1 1 80 80 HIS N N 80 119.900 119.900 126.644 -6.744 25449
7064 1 14 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.566 0.624 25449
7065 1 14 . 1 1 80 80 HIS C C 80 173.600 173.600 173.832 -0.232 25449
7066 1 14 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.367 -1.567 25449
7067 1 14 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.766 0.534 25449
7068 1 14 . 1 1 80 80 HIS H H 80 8.580 8.580 8.128 0.452 25449
7069 1 14 . 1 1 81 81 VAL N N 81 123.800 123.800 127.622 -3.822 25449
7070 1 14 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.582 0.698 25449
7071 1 14 . 1 1 81 81 VAL C C 81 173.600 173.600 174.705 -1.105 25449
7072 1 14 . 1 1 81 81 VAL CA C 81 60.200 60.200 60.975 -0.775 25449
7073 1 14 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.915 2.085 25449
7074 1 14 . 1 1 81 81 VAL H H 81 8.650 8.650 8.168 0.482 25449
7075 1 14 . 1 1 82 82 ASN N N 82 121.100 121.100 123.424 -2.324 25449
7076 1 14 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.098 -0.348 25449
7077 1 14 . 1 1 82 82 ASN C C 82 174.000 174.000 173.501 0.499 25449
7078 1 14 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.762 0.138 25449
7079 1 14 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.051 1.849 25449
7080 1 14 . 1 1 82 82 ASN H H 82 8.890 8.890 8.432 0.458 25449
7081 1 14 . 1 1 83 83 TYR N N 83 120.400 120.400 120.332 0.068 25449
7082 1 14 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.704 0.096 25449
7083 1 14 . 1 1 83 83 TYR C C 83 177.100 177.100 175.253 1.847 25449
7084 1 14 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.283 0.117 25449
7085 1 14 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.706 -1.006 25449
7086 1 14 . 1 1 83 83 TYR H H 83 8.480 8.480 8.628 -0.148 25449
7087 1 14 . 1 1 84 84 SER N N 84 118.000 118.000 115.554 2.446 25449
7088 1 14 . 1 1 84 84 SER HA H 84 4.520 4.520 4.420 0.100 25449
7089 1 14 . 1 1 84 84 SER C C 84 174.100 174.100 172.491 1.609 25449
7090 1 14 . 1 1 84 84 SER CA C 84 57.700 57.700 56.533 1.167 25449
7091 1 14 . 1 1 84 84 SER CB C 84 64.300 64.300 65.070 -0.770 25449
7092 1 14 . 1 1 84 84 SER H H 84 9.040 9.040 7.469 1.571 25449
7093 1 14 . 1 1 85 85 LYS N N 85 125.300 125.300 121.667 3.633 25449
7094 1 14 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.414 0.026 25449
7095 1 14 . 1 1 85 85 LYS C C 85 175.600 175.600 175.304 0.296 25449
7096 1 14 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.558 0.742 25449
7097 1 14 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.217 0.483 25449
7098 1 14 . 1 1 85 85 LYS H H 85 8.410 8.410 8.212 0.198 25449
7099 1 15 . 1 1 -1 -1 SER N N -1 115.600 115.600 114.054 1.546 25449
7100 1 15 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.576 -0.166 25449
7101 1 15 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.670 -1.670 25449
7102 1 15 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.913 0.287 25449
7103 1 15 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.660 -0.760 25449
7104 1 15 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.114 0.556 25449
7105 1 15 . 1 1 0 0 HIS N N 0 121.200 121.200 121.346 -0.146 25449
7106 1 15 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.452 0.138 25449
7107 1 15 . 1 1 0 0 HIS C C 0 174.800 174.800 174.169 0.631 25449
7108 1 15 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.886 -0.786 25449
7109 1 15 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.378 -0.478 25449
7110 1 15 . 1 1 0 0 HIS H H 0 8.730 8.730 9.033 -0.303 25449
7111 1 15 . 1 1 1 1 MET N N 1 121.800 121.800 116.266 5.534 25449
7112 1 15 . 1 1 1 1 MET HA H 1 4.370 4.370 4.338 0.032 25449
7113 1 15 . 1 1 1 1 MET C C 1 176.300 176.300 174.947 1.353 25449
7114 1 15 . 1 1 1 1 MET CA C 1 55.700 55.700 55.242 0.459 25449
7115 1 15 . 1 1 1 1 MET CB C 1 32.800 32.800 33.309 -0.509 25449
7116 1 15 . 1 1 1 1 MET H H 1 8.450 8.450 8.145 0.305 25449
7117 1 15 . 1 1 2 2 SER N N 2 116.700 116.700 117.342 -0.642 25449
7118 1 15 . 1 1 2 2 SER HA H 2 4.370 4.370 4.598 -0.228 25449
7119 1 15 . 1 1 2 2 SER C C 2 174.200 174.200 174.498 -0.298 25449
7120 1 15 . 1 1 2 2 SER CA C 2 58.400 58.400 57.866 0.534 25449
7121 1 15 . 1 1 2 2 SER CB C 2 63.800 63.800 63.230 0.570 25449
7122 1 15 . 1 1 2 2 SER H H 2 8.410 8.410 8.577 -0.167 25449
7123 1 15 . 1 1 3 3 ASP N N 3 122.100 122.100 126.459 -4.359 25449
7124 1 15 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.381 0.169 25449
7125 1 15 . 1 1 3 3 ASP C C 3 176.100 176.100 175.195 0.905 25449
7126 1 15 . 1 1 3 3 ASP CA C 3 54.500 54.500 56.786 -2.286 25449
7127 1 15 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.656 -0.456 25449
7128 1 15 . 1 1 3 3 ASP H H 3 8.340 8.340 8.607 -0.267 25449
7129 1 15 . 1 1 4 4 ASN N N 4 119.100 119.100 111.539 7.561 25449
7130 1 15 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.659 -0.079 25449
7131 1 15 . 1 1 4 4 ASN C C 4 174.900 174.900 173.724 1.176 25449
7132 1 15 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.095 1.605 25449
7133 1 15 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.793 -0.893 25449
7134 1 15 . 1 1 4 4 ASN H H 4 8.420 8.420 7.841 0.579 25449
7135 1 15 . 1 1 5 5 ASN N N 5 118.400 118.400 116.674 1.726 25449
7136 1 15 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.440 0.100 25449
7137 1 15 . 1 1 5 5 ASN C C 5 173.900 173.900 174.756 -0.856 25449
7138 1 15 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.644 -0.444 25449
7139 1 15 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.809 0.891 25449
7140 1 15 . 1 1 5 5 ASN H H 5 8.340 8.340 8.377 -0.037 25449
7141 1 15 . 1 1 6 6 ALA N N 6 122.100 122.100 119.422 2.678 25449
7142 1 15 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.398 -0.658 25449
7143 1 15 . 1 1 6 6 ALA C C 6 177.000 177.000 175.767 1.233 25449
7144 1 15 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.379 -0.079 25449
7145 1 15 . 1 1 6 6 ALA CB C 6 20.000 20.000 17.929 2.071 25449
7146 1 15 . 1 1 6 6 ALA H H 6 7.590 7.590 7.093 0.497 25449
7147 1 15 . 1 1 7 7 THR N N 7 112.700 112.700 118.422 -5.722 25449
7148 1 15 . 1 1 7 7 THR HA H 7 4.390 4.390 4.527 -0.137 25449
7149 1 15 . 1 1 7 7 THR C C 7 171.700 171.700 174.777 -3.077 25449
7150 1 15 . 1 1 7 7 THR CA C 7 59.800 59.800 60.584 -0.784 25449
7151 1 15 . 1 1 7 7 THR CB C 7 70.600 70.600 70.607 -0.007 25449
7152 1 15 . 1 1 7 7 THR H H 7 6.840 6.840 8.224 -1.384 25449
7153 1 15 . 1 1 8 8 ASP N N 8 114.600 114.600 124.297 -9.697 25449
7154 1 15 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.286 0.204 25449
7155 1 15 . 1 1 8 8 ASP C C 8 174.300 174.300 174.001 0.299 25449
7156 1 15 . 1 1 8 8 ASP CA C 8 53.500 53.500 56.110 -2.610 25449
7157 1 15 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.420 -0.620 25449
7158 1 15 . 1 1 8 8 ASP H H 8 8.170 8.170 8.986 -0.816 25449
7159 1 15 . 1 1 9 9 ILE N N 9 117.800 117.800 119.084 -1.284 25449
7160 1 15 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.409 0.401 25449
7161 1 15 . 1 1 9 9 ILE C C 9 174.700 174.700 173.763 0.937 25449
7162 1 15 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.529 0.071 25449
7163 1 15 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.297 0.003 25449
7164 1 15 . 1 1 9 9 ILE H H 9 7.890 7.890 7.565 0.325 25449
7165 1 15 . 1 1 10 10 LEU N N 10 125.300 125.300 126.932 -1.632 25449
7166 1 15 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.888 0.072 25449
7167 1 15 . 1 1 10 10 LEU C C 10 176.100 176.100 174.975 1.125 25449
7168 1 15 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.129 -1.229 25449
7169 1 15 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.268 -2.168 25449
7170 1 15 . 1 1 10 10 LEU H H 10 9.370 9.370 8.212 1.158 25449
7171 1 15 . 1 1 11 11 PHE N N 11 124.300 124.300 127.043 -2.743 25449
7172 1 15 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.758 -0.088 25449
7173 1 15 . 1 1 11 11 PHE C C 11 173.400 173.400 174.110 -0.710 25449
7174 1 15 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.675 -0.675 25449
7175 1 15 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.932 -0.232 25449
7176 1 15 . 1 1 11 11 PHE H H 11 9.310 9.310 8.359 0.951 25449
7177 1 15 . 1 1 12 12 VAL N N 12 128.300 128.300 125.067 3.233 25449
7178 1 15 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.215 0.205 25449
7179 1 15 . 1 1 12 12 VAL C C 12 173.900 173.900 174.345 -0.445 25449
7180 1 15 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.073 0.127 25449
7181 1 15 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.527 -2.427 25449
7182 1 15 . 1 1 12 12 VAL H H 12 8.380 8.380 7.508 0.872 25449
7183 1 15 . 1 1 13 13 GLY N N 13 111.800 111.800 110.992 0.808 25449
7184 1 15 . 1 1 13 13 GLY C C 13 173.800 173.800 173.785 0.015 25449
7185 1 15 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.492 -0.092 25449
7186 1 15 . 1 1 13 13 GLY H H 13 9.150 9.150 8.448 0.702 25449
7187 1 15 . 1 1 14 14 GLY N N 14 107.600 107.600 107.050 0.550 25449
7188 1 15 . 1 1 14 14 GLY C C 14 175.400 175.400 173.954 1.446 25449
7189 1 15 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.610 1.190 25449
7190 1 15 . 1 1 14 14 GLY H H 14 8.260 8.260 8.404 -0.144 25449
7191 1 15 . 1 1 15 15 ILE N N 15 111.100 111.100 121.597 -10.497 25449
7192 1 15 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.300 -0.260 25449
7193 1 15 . 1 1 15 15 ILE C C 15 175.500 175.500 175.162 0.338 25449
7194 1 15 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.142 1.358 25449
7195 1 15 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.058 -1.558 25449
7196 1 15 . 1 1 15 15 ILE H H 15 6.930 6.930 7.515 -0.585 25449
7197 1 15 . 1 1 16 16 ASP N N 16 122.800 122.800 122.627 0.173 25449
7198 1 15 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.501 0.079 25449
7199 1 15 . 1 1 16 16 ASP C C 16 177.200 177.200 176.752 0.448 25449
7200 1 15 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.234 -0.534 25449
7201 1 15 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.802 -0.302 25449
7202 1 15 . 1 1 16 16 ASP H H 16 8.320 8.320 8.653 -0.333 25449
7203 1 15 . 1 1 17 17 GLU N N 17 119.600 119.600 119.901 -0.301 25449
7204 1 15 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.312 -0.172 25449
7205 1 15 . 1 1 17 17 GLU C C 17 176.800 176.800 176.536 0.264 25449
7206 1 15 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.231 1.369 25449
7207 1 15 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.044 0.756 25449
7208 1 15 . 1 1 17 17 GLU H H 17 8.830 8.830 8.720 0.110 25449
7209 1 15 . 1 1 18 18 THR N N 18 111.300 111.300 115.446 -4.146 25449
7210 1 15 . 1 1 18 18 THR HA H 18 4.250 4.250 4.405 -0.155 25449
7211 1 15 . 1 1 18 18 THR C C 18 175.200 175.200 174.399 0.801 25449
7212 1 15 . 1 1 18 18 THR CA C 18 62.600 62.600 61.619 0.981 25449
7213 1 15 . 1 1 18 18 THR CB C 18 69.600 69.600 69.233 0.367 25449
7214 1 15 . 1 1 18 18 THR H H 18 8.740 8.740 7.884 0.856 25449
7215 1 15 . 1 1 19 19 ILE N N 19 123.300 123.300 118.055 5.245 25449
7216 1 15 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.380 -0.500 25449
7217 1 15 . 1 1 19 19 ILE C C 19 174.300 174.300 174.388 -0.088 25449
7218 1 15 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.813 1.087 25449
7219 1 15 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.812 -3.212 25449
7220 1 15 . 1 1 19 19 ILE H H 19 7.220 7.220 7.328 -0.108 25449
7221 1 15 . 1 1 20 20 ASP N N 20 125.600 125.600 121.664 3.936 25449
7222 1 15 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.806 -0.166 25449
7223 1 15 . 1 1 20 20 ASP C C 20 175.300 175.300 176.492 -1.192 25449
7224 1 15 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.336 -1.836 25449
7225 1 15 . 1 1 20 20 ASP CB C 20 43.000 43.000 44.149 -1.149 25449
7226 1 15 . 1 1 20 20 ASP H H 20 7.790 7.790 7.774 0.016 25449
7227 1 15 . 1 1 21 21 GLU N N 21 118.400 118.400 122.440 -4.040 25449
7228 1 15 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.924 -0.294 25449
7229 1 15 . 1 1 21 21 GLU C C 21 177.900 177.900 178.318 -0.418 25449
7230 1 15 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.399 0.501 25449
7231 1 15 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.859 -0.659 25449
7232 1 15 . 1 1 21 21 GLU H H 21 9.220 9.220 8.986 0.234 25449
7233 1 15 . 1 1 22 22 LYS N N 22 119.700 119.700 117.893 1.807 25449
7234 1 15 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.237 -0.177 25449
7235 1 15 . 1 1 22 22 LYS C C 22 178.500 178.500 178.935 -0.435 25449
7236 1 15 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.737 0.563 25449
7237 1 15 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.789 0.011 25449
7238 1 15 . 1 1 22 22 LYS H H 22 8.040 8.040 8.493 -0.453 25449
7239 1 15 . 1 1 23 23 SER N N 23 114.900 114.900 115.855 -0.955 25449
7240 1 15 . 1 1 23 23 SER HA H 23 4.300 4.300 4.266 0.034 25449
7241 1 15 . 1 1 23 23 SER C C 23 177.600 177.600 176.331 1.269 25449
7242 1 15 . 1 1 23 23 SER CA C 23 61.800 61.800 61.118 0.682 25449
7243 1 15 . 1 1 23 23 SER CB C 23 62.900 62.900 62.849 0.051 25449
7244 1 15 . 1 1 23 23 SER H H 23 8.240 8.240 8.088 0.152 25449
7245 1 15 . 1 1 24 24 LEU N N 24 118.800 118.800 121.498 -2.698 25449
7246 1 15 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.182 -0.002 25449
7247 1 15 . 1 1 24 24 LEU C C 24 178.700 178.700 178.696 0.004 25449
7248 1 15 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.851 0.449 25449
7249 1 15 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.513 0.587 25449
7250 1 15 . 1 1 24 24 LEU H H 24 7.750 7.750 7.478 0.272 25449
7251 1 15 . 1 1 25 25 TYR N N 25 123.200 123.200 121.207 1.993 25449
7252 1 15 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.046 -0.416 25449
7253 1 15 . 1 1 25 25 TYR C C 25 178.600 178.600 177.219 1.381 25449
7254 1 15 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.599 2.601 25449
7255 1 15 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.294 -0.094 25449
7256 1 15 . 1 1 25 25 TYR H H 25 8.970 8.970 7.555 1.415 25449
7257 1 15 . 1 1 26 26 ASP N N 26 119.800 119.800 118.967 0.833 25449
7258 1 15 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.376 -0.106 25449
7259 1 15 . 1 1 26 26 ASP C C 26 177.900 177.900 178.791 -0.891 25449
7260 1 15 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.792 -0.092 25449
7261 1 15 . 1 1 26 26 ASP CB C 26 40.000 40.000 40.877 -0.877 25449
7262 1 15 . 1 1 26 26 ASP H H 26 8.510 8.510 7.859 0.651 25449
7263 1 15 . 1 1 27 27 ILE N N 27 114.700 114.700 119.319 -4.619 25449
7264 1 15 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.867 0.093 25449
7265 1 15 . 1 1 27 27 ILE C C 27 177.700 177.700 177.911 -0.211 25449
7266 1 15 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.985 -1.685 25449
7267 1 15 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.332 0.668 25449
7268 1 15 . 1 1 27 27 ILE H H 27 7.320 7.320 7.537 -0.217 25449
7269 1 15 . 1 1 28 28 PHE N N 28 116.900 116.900 117.116 -0.216 25449
7270 1 15 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.521 -0.151 25449
7271 1 15 . 1 1 28 28 PHE C C 28 179.900 179.900 177.505 2.395 25449
7272 1 15 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.755 3.545 25449
7273 1 15 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.495 -1.194 25449
7274 1 15 . 1 1 28 28 PHE H H 28 8.650 8.650 8.034 0.616 25449
7275 1 15 . 1 1 29 29 SER N N 29 120.100 120.100 114.192 5.908 25449
7276 1 15 . 1 1 29 29 SER HA H 29 4.410 4.410 4.548 -0.138 25449
7277 1 15 . 1 1 29 29 SER C C 29 175.600 175.600 175.513 0.087 25449
7278 1 15 . 1 1 29 29 SER CA C 29 61.300 61.300 59.523 1.777 25449
7279 1 15 . 1 1 29 29 SER CB C 29 62.200 62.200 63.165 -0.965 25449
7280 1 15 . 1 1 29 29 SER H H 29 8.880 8.880 7.789 1.091 25449
7281 1 15 . 1 1 30 30 SER N N 30 116.200 116.200 117.273 -1.073 25449
7282 1 15 . 1 1 30 30 SER HA H 30 3.940 3.940 4.249 -0.309 25449
7283 1 15 . 1 1 30 30 SER C C 30 174.900 174.900 175.917 -1.017 25449
7284 1 15 . 1 1 30 30 SER CA C 30 60.400 60.400 60.785 -0.385 25449
7285 1 15 . 1 1 30 30 SER CB C 30 62.400 62.400 63.030 -0.630 25449
7286 1 15 . 1 1 30 30 SER H H 30 7.270 7.270 7.990 -0.720 25449
7287 1 15 . 1 1 31 31 PHE N N 31 115.600 115.600 121.699 -6.099 25449
7288 1 15 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.575 -0.295 25449
7289 1 15 . 1 1 31 31 PHE C C 31 174.100 174.100 176.205 -2.105 25449
7290 1 15 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.236 -0.336 25449
7291 1 15 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.017 -0.717 25449
7292 1 15 . 1 1 31 31 PHE H H 31 6.980 6.980 8.034 -1.054 25449
7293 1 15 . 1 1 32 32 GLY N N 32 104.900 104.900 107.362 -2.462 25449
7294 1 15 . 1 1 32 32 GLY C C 32 171.600 171.600 172.870 -1.270 25449
7295 1 15 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.608 -0.308 25449
7296 1 15 . 1 1 32 32 GLY H H 32 7.300 7.300 7.655 -0.355 25449
7297 1 15 . 1 1 33 33 ASP N N 33 116.100 116.100 126.773 -10.673 25449
7298 1 15 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.567 -0.057 25449
7299 1 15 . 1 1 33 33 ASP C C 33 176.800 176.800 174.654 2.146 25449
7300 1 15 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.591 -0.191 25449
7301 1 15 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.041 -1.441 25449
7302 1 15 . 1 1 33 33 ASP H H 33 8.120 8.120 8.500 -0.380 25449
7303 1 15 . 1 1 34 34 ILE N N 34 126.400 126.400 118.363 8.037 25449
7304 1 15 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.145 -0.295 25449
7305 1 15 . 1 1 34 34 ILE C C 34 176.200 176.200 175.812 0.388 25449
7306 1 15 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.134 2.066 25449
7307 1 15 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.952 0.948 25449
7308 1 15 . 1 1 34 34 ILE H H 34 8.670 8.670 8.309 0.361 25449
7309 1 15 . 1 1 35 35 ARG N N 35 128.900 128.900 124.919 3.981 25449
7310 1 15 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.211 -0.051 25449
7311 1 15 . 1 1 35 35 ARG C C 35 175.600 175.600 176.443 -0.843 25449
7312 1 15 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.900 -0.400 25449
7313 1 15 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.361 0.339 25449
7314 1 15 . 1 1 35 35 ARG H H 35 9.320 9.320 8.410 0.910 25449
7315 1 15 . 1 1 36 36 ASN N N 36 114.300 114.300 114.436 -0.136 25449
7316 1 15 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.799 -0.089 25449
7317 1 15 . 1 1 36 36 ASN C C 36 172.000 172.000 172.862 -0.862 25449
7318 1 15 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.066 0.434 25449
7319 1 15 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.880 1.720 25449
7320 1 15 . 1 1 36 36 ASN H H 36 7.620 7.620 8.052 -0.432 25449
7321 1 15 . 1 1 37 37 ILE N N 37 122.700 122.700 121.900 0.800 25449
7322 1 15 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.463 0.307 25449
7323 1 15 . 1 1 37 37 ILE C C 37 173.300 173.300 174.523 -1.223 25449
7324 1 15 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.112 -0.513 25449
7325 1 15 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.552 0.648 25449
7326 1 15 . 1 1 37 37 ILE H H 37 8.030 8.030 8.445 -0.415 25449
7327 1 15 . 1 1 38 38 GLU N N 38 126.700 126.700 128.400 -1.700 25449
7328 1 15 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.701 -0.041 25449
7329 1 15 . 1 1 38 38 GLU C C 38 174.800 174.800 174.245 0.555 25449
7330 1 15 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.471 -1.071 25449
7331 1 15 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.624 1.776 25449
7332 1 15 . 1 1 38 38 GLU H H 38 8.870 8.870 8.565 0.305 25449
7333 1 15 . 1 1 39 39 VAL N N 39 126.400 126.400 127.120 -0.720 25449
7334 1 15 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.009 -0.309 25449
7335 1 15 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.907 -0.307 25449
7336 1 15 . 1 1 39 39 VAL H H 39 8.970 8.970 8.447 0.523 25449
7337 1 15 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.332 -0.102 25449
7338 1 15 . 1 1 40 40 PRO C C 40 176.300 176.300 175.186 1.114 25449
7339 1 15 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.959 0.341 25449
7340 1 15 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.198 0.302 25449
7341 1 15 . 1 1 41 41 LEU N N 41 120.700 120.700 123.177 -2.477 25449
7342 1 15 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.642 -0.122 25449
7343 1 15 . 1 1 41 41 LEU C C 41 177.900 177.900 175.724 2.176 25449
7344 1 15 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.668 -0.568 25449
7345 1 15 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.680 -1.380 25449
7346 1 15 . 1 1 41 41 LEU H H 41 8.520 8.520 8.133 0.387 25449
7347 1 15 . 1 1 42 42 ASN N N 42 121.400 121.400 122.378 -0.978 25449
7348 1 15 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.953 -0.393 25449
7349 1 15 . 1 1 42 42 ASN C C 42 176.700 176.700 176.254 0.446 25449
7350 1 15 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.218 0.682 25449
7351 1 15 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.818 -0.818 25449
7352 1 15 . 1 1 42 42 ASN H H 42 8.740 8.740 8.295 0.445 25449
7353 1 15 . 1 1 43 43 MET N N 43 125.500 125.500 123.816 1.684 25449
7354 1 15 . 1 1 43 43 MET HA H 43 4.210 4.210 4.400 -0.190 25449
7355 1 15 . 1 1 43 43 MET C C 43 177.200 177.200 176.327 0.873 25449
7356 1 15 . 1 1 43 43 MET CA C 43 57.100 57.100 57.069 0.031 25449
7357 1 15 . 1 1 43 43 MET CB C 43 31.600 31.600 31.935 -0.335 25449
7358 1 15 . 1 1 43 43 MET H H 43 9.080 9.080 8.905 0.175 25449
7359 1 15 . 1 1 44 44 THR N N 44 114.400 114.400 112.965 1.435 25449
7360 1 15 . 1 1 44 44 THR HA H 44 4.160 4.160 4.295 -0.135 25449
7361 1 15 . 1 1 44 44 THR C C 44 175.900 175.900 175.652 0.248 25449
7362 1 15 . 1 1 44 44 THR CA C 44 65.200 65.200 64.686 0.514 25449
7363 1 15 . 1 1 44 44 THR CB C 44 68.700 68.700 68.996 -0.296 25449
7364 1 15 . 1 1 44 44 THR H H 44 8.590 8.590 7.969 0.621 25449
7365 1 15 . 1 1 45 45 THR N N 45 110.300 110.300 114.501 -4.201 25449
7366 1 15 . 1 1 45 45 THR HA H 45 4.160 4.160 4.378 -0.218 25449
7367 1 15 . 1 1 45 45 THR C C 45 175.500 175.500 173.456 2.044 25449
7368 1 15 . 1 1 45 45 THR CA C 45 62.000 62.000 61.244 0.756 25449
7369 1 15 . 1 1 45 45 THR CB C 45 70.000 70.000 69.979 0.021 25449
7370 1 15 . 1 1 45 45 THR H H 45 7.610 7.610 7.758 -0.148 25449
7371 1 15 . 1 1 46 46 LYS N N 46 115.700 115.700 122.314 -6.614 25449
7372 1 15 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.917 -0.197 25449
7373 1 15 . 1 1 46 46 LYS C C 46 174.600 174.600 173.717 0.883 25449
7374 1 15 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.361 0.239 25449
7375 1 15 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.195 -2.295 25449
7376 1 15 . 1 1 46 46 LYS H H 46 8.460 8.460 8.193 0.267 25449
7377 1 15 . 1 1 47 47 LYS N N 47 117.100 117.100 121.523 -4.423 25449
7378 1 15 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.580 0.100 25449
7379 1 15 . 1 1 47 47 LYS C C 47 176.300 176.300 176.707 -0.407 25449
7380 1 15 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.077 -0.077 25449
7381 1 15 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.451 0.649 25449
7382 1 15 . 1 1 47 47 LYS H H 47 7.610 7.610 8.052 -0.442 25449
7383 1 15 . 1 1 48 48 ASN N N 48 117.700 117.700 120.969 -3.269 25449
7384 1 15 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.877 -0.177 25449
7385 1 15 . 1 1 48 48 ASN C C 48 174.000 174.000 175.554 -1.554 25449
7386 1 15 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.620 0.980 25449
7387 1 15 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.963 -1.263 25449
7388 1 15 . 1 1 48 48 ASN H H 48 8.740 8.740 8.791 -0.051 25449
7389 1 15 . 1 1 49 49 ARG N N 49 116.800 116.800 116.248 0.552 25449
7390 1 15 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.975 0.375 25449
7391 1 15 . 1 1 49 49 ARG C C 49 177.500 177.500 176.458 1.042 25449
7392 1 15 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.622 -1.022 25449
7393 1 15 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.093 4.507 25449
7394 1 15 . 1 1 49 49 ARG H H 49 8.530 8.530 8.368 0.162 25449
7395 1 15 . 1 1 50 50 GLY N N 50 108.300 108.300 105.913 2.387 25449
7396 1 15 . 1 1 50 50 GLY C C 50 173.500 173.500 173.213 0.287 25449
7397 1 15 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.222 0.578 25449
7398 1 15 . 1 1 50 50 GLY H H 50 8.900 8.900 8.870 0.030 25449
7399 1 15 . 1 1 51 51 PHE N N 51 113.900 113.900 115.824 -1.924 25449
7400 1 15 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.677 0.793 25449
7401 1 15 . 1 1 51 51 PHE C C 51 172.000 172.000 172.288 -0.288 25449
7402 1 15 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.947 -0.947 25449
7403 1 15 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.588 2.112 25449
7404 1 15 . 1 1 51 51 PHE H H 51 6.910 6.910 7.191 -0.281 25449
7405 1 15 . 1 1 52 52 ALA N N 52 120.500 120.500 124.927 -4.427 25449
7406 1 15 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.560 0.070 25449
7407 1 15 . 1 1 52 52 ALA C C 52 173.900 173.900 174.609 -0.709 25449
7408 1 15 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.385 -0.185 25449
7409 1 15 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.380 2.720 25449
7410 1 15 . 1 1 52 52 ALA H H 52 8.810 8.810 7.727 1.083 25449
7411 1 15 . 1 1 53 53 PHE N N 53 115.000 115.000 119.999 -4.999 25449
7412 1 15 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.768 0.892 25449
7413 1 15 . 1 1 53 53 PHE C C 53 175.600 175.600 174.917 0.683 25449
7414 1 15 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.729 -0.529 25449
7415 1 15 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.153 1.247 25449
7416 1 15 . 1 1 53 53 PHE H H 53 8.730 8.730 7.917 0.813 25449
7417 1 15 . 1 1 54 54 VAL N N 54 122.300 122.300 121.835 0.465 25449
7418 1 15 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.335 -0.235 25449
7419 1 15 . 1 1 54 54 VAL C C 54 173.000 173.000 174.193 -1.193 25449
7420 1 15 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.517 0.183 25449
7421 1 15 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.391 0.009 25449
7422 1 15 . 1 1 54 54 VAL H H 54 9.060 9.060 8.440 0.620 25449
7423 1 15 . 1 1 55 55 GLU N N 55 127.300 127.300 127.330 -0.030 25449
7424 1 15 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.656 0.504 25449
7425 1 15 . 1 1 55 55 GLU C C 55 175.900 175.900 175.595 0.305 25449
7426 1 15 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.286 -1.286 25449
7427 1 15 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.103 -0.403 25449
7428 1 15 . 1 1 55 55 GLU H H 55 8.860 8.860 8.291 0.569 25449
7429 1 15 . 1 1 56 56 TYR N N 56 127.500 127.500 125.183 2.317 25449
7430 1 15 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.483 0.037 25449
7431 1 15 . 1 1 56 56 TYR C C 56 175.000 175.000 175.931 -0.931 25449
7432 1 15 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.382 0.318 25449
7433 1 15 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.039 0.161 25449
7434 1 15 . 1 1 56 56 TYR H H 56 9.470 9.470 8.087 1.383 25449
7435 1 15 . 1 1 57 57 VAL N N 57 119.200 119.200 120.721 -1.521 25449
7436 1 15 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.949 -0.379 25449
7437 1 15 . 1 1 57 57 VAL C C 57 177.000 177.000 176.476 0.524 25449
7438 1 15 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.929 1.371 25449
7439 1 15 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.228 -0.229 25449
7440 1 15 . 1 1 57 57 VAL H H 57 7.800 7.800 7.948 -0.148 25449
7441 1 15 . 1 1 58 58 GLU N N 58 118.500 118.500 117.045 1.455 25449
7442 1 15 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.661 0.119 25449
7443 1 15 . 1 1 58 58 GLU C C 58 177.500 177.500 177.434 0.066 25449
7444 1 15 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.434 -1.634 25449
7445 1 15 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.595 -1.095 25449
7446 1 15 . 1 1 58 58 GLU H H 58 9.530 9.530 8.128 1.402 25449
7447 1 15 . 1 1 59 59 VAL N N 59 125.200 125.200 121.304 3.896 25449
7448 1 15 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.978 -0.448 25449
7449 1 15 . 1 1 59 59 VAL C C 59 177.600 177.600 176.967 0.633 25449
7450 1 15 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.453 0.647 25449
7451 1 15 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.519 -0.819 25449
7452 1 15 . 1 1 59 59 VAL H H 59 8.650 8.650 8.451 0.199 25449
7453 1 15 . 1 1 60 60 ASP N N 60 118.500 118.500 119.893 -1.393 25449
7454 1 15 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.303 -0.083 25449
7455 1 15 . 1 1 60 60 ASP C C 60 178.300 178.300 177.541 0.759 25449
7456 1 15 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.863 -0.263 25449
7457 1 15 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.723 -0.223 25449
7458 1 15 . 1 1 60 60 ASP H H 60 8.970 8.970 8.744 0.226 25449
7459 1 15 . 1 1 61 61 ASP N N 61 119.900 119.900 119.260 0.640 25449
7460 1 15 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.349 0.011 25449
7461 1 15 . 1 1 61 61 ASP C C 61 176.800 176.800 178.136 -1.336 25449
7462 1 15 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.363 -0.463 25449
7463 1 15 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.383 -0.583 25449
7464 1 15 . 1 1 61 61 ASP H H 61 6.920 6.920 8.657 -1.737 25449
7465 1 15 . 1 1 62 62 ALA N N 62 122.700 122.700 122.152 0.548 25449
7466 1 15 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.262 0.118 25449
7467 1 15 . 1 1 62 62 ALA C C 62 171.600 171.600 179.107 -7.507 25449
7468 1 15 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.789 0.311 25449
7469 1 15 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.251 -0.051 25449
7470 1 15 . 1 1 62 62 ALA H H 62 6.910 6.910 7.498 -0.588 25449
7471 1 15 . 1 1 63 63 LYS N N 63 116.200 116.200 116.396 -0.196 25449
7472 1 15 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.860 0.330 25449
7473 1 15 . 1 1 63 63 LYS C C 63 179.200 179.200 179.053 0.147 25449
7474 1 15 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.054 0.246 25449
7475 1 15 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.859 0.741 25449
7476 1 15 . 1 1 63 63 LYS H H 63 8.020 8.020 7.335 0.685 25449
7477 1 15 . 1 1 64 64 HIS N N 64 117.400 117.400 118.618 -1.218 25449
7478 1 15 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.429 -0.119 25449
7479 1 15 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.718 -0.718 25449
7480 1 15 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.268 -1.168 25449
7481 1 15 . 1 1 64 64 HIS H H 64 7.460 7.460 7.564 -0.104 25449
7482 1 15 . 1 1 65 65 ALA N N 65 123.700 123.700 122.135 1.565 25449
7483 1 15 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.893 -1.723 25449
7484 1 15 . 1 1 65 65 ALA C C 65 178.700 178.700 178.961 -0.261 25449
7485 1 15 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.715 0.085 25449
7486 1 15 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.431 0.969 25449
7487 1 15 . 1 1 65 65 ALA H H 65 8.190 8.190 7.476 0.714 25449
7488 1 15 . 1 1 66 66 LEU N N 66 119.800 119.800 117.437 2.363 25449
7489 1 15 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.055 -0.625 25449
7490 1 15 . 1 1 66 66 LEU C C 66 178.700 178.700 178.984 -0.284 25449
7491 1 15 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.727 1.972 25449
7492 1 15 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.578 -0.478 25449
7493 1 15 . 1 1 66 66 LEU H H 66 8.340 8.340 7.391 0.949 25449
7494 1 15 . 1 1 67 67 TYR N N 67 116.200 116.200 119.894 -3.694 25449
7495 1 15 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449
7496 1 15 . 1 1 67 67 TYR C C 67 177.700 177.700 177.281 0.419 25449
7497 1 15 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.388 -1.888 25449
7498 1 15 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.420 -0.320 25449
7499 1 15 . 1 1 67 67 TYR H H 67 7.760 7.760 7.975 -0.215 25449
7500 1 15 . 1 1 68 68 ASN N N 68 113.900 113.900 115.029 -1.129 25449
7501 1 15 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.656 -0.226 25449
7502 1 15 . 1 1 68 68 ASN C C 68 176.400 176.400 176.045 0.355 25449
7503 1 15 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.801 0.799 25449
7504 1 15 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.360 3.040 25449
7505 1 15 . 1 1 68 68 ASN H H 68 7.480 7.480 8.136 -0.656 25449
7506 1 15 . 1 1 69 69 MET N N 69 114.900 114.900 115.920 -1.020 25449
7507 1 15 . 1 1 69 69 MET HA H 69 4.760 4.760 4.536 0.224 25449
7508 1 15 . 1 1 69 69 MET C C 69 177.000 177.000 176.373 0.627 25449
7509 1 15 . 1 1 69 69 MET CA C 69 53.500 53.500 54.379 -0.879 25449
7510 1 15 . 1 1 69 69 MET CB C 69 31.100 31.100 32.475 -1.375 25449
7511 1 15 . 1 1 69 69 MET H H 69 8.310 8.310 7.432 0.878 25449
7512 1 15 . 1 1 70 70 ASN N N 70 117.700 117.700 117.523 0.177 25449
7513 1 15 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.538 -0.168 25449
7514 1 15 . 1 1 70 70 ASN C C 70 176.400 176.400 175.748 0.652 25449
7515 1 15 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.934 0.166 25449
7516 1 15 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.160 -0.460 25449
7517 1 15 . 1 1 70 70 ASN H H 70 7.660 7.660 7.758 -0.098 25449
7518 1 15 . 1 1 71 71 ASN N N 71 121.500 121.500 115.721 5.779 25449
7519 1 15 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.627 -0.117 25449
7520 1 15 . 1 1 71 71 ASN C C 71 173.300 173.300 175.281 -1.981 25449
7521 1 15 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.746 2.054 25449
7522 1 15 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.805 -0.605 25449
7523 1 15 . 1 1 71 71 ASN H H 71 8.600 8.600 8.305 0.295 25449
7524 1 15 . 1 1 72 72 PHE N N 72 122.300 122.300 122.234 0.066 25449
7525 1 15 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.505 -0.315 25449
7526 1 15 . 1 1 72 72 PHE C C 72 174.100 174.100 174.162 -0.062 25449
7527 1 15 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.659 1.041 25449
7528 1 15 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.206 1.094 25449
7529 1 15 . 1 1 72 72 PHE H H 72 7.870 7.870 7.758 0.112 25449
7530 1 15 . 1 1 73 73 GLU N N 73 126.100 126.100 127.306 -1.206 25449
7531 1 15 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.391 -0.161 25449
7532 1 15 . 1 1 73 73 GLU C C 73 173.000 173.000 174.355 -1.355 25449
7533 1 15 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.987 1.613 25449
7534 1 15 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.745 -1.445 25449
7535 1 15 . 1 1 73 73 GLU H H 73 7.690 7.690 8.130 -0.440 25449
7536 1 15 . 1 1 74 74 LEU N N 74 128.900 128.900 123.198 5.702 25449
7537 1 15 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.344 0.176 25449
7538 1 15 . 1 1 74 74 LEU C C 74 175.500 175.500 175.476 0.024 25449
7539 1 15 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.439 -1.139 25449
7540 1 15 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.993 1.607 25449
7541 1 15 . 1 1 74 74 LEU H H 74 8.620 8.620 7.936 0.684 25449
7542 1 15 . 1 1 75 75 ASN N N 75 126.800 126.800 121.488 5.312 25449
7543 1 15 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.420 -0.210 25449
7544 1 15 . 1 1 75 75 ASN C C 75 175.600 175.600 175.581 0.019 25449
7545 1 15 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.633 0.267 25449
7546 1 15 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.374 -0.474 25449
7547 1 15 . 1 1 75 75 ASN H H 75 9.520 9.520 8.938 0.582 25449
7548 1 15 . 1 1 76 76 GLY N N 76 102.300 102.300 105.171 -2.871 25449
7549 1 15 . 1 1 76 76 GLY C C 76 173.600 173.600 173.196 0.404 25449
7550 1 15 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.203 0.097 25449
7551 1 15 . 1 1 76 76 GLY H H 76 8.500 8.500 8.344 0.156 25449
7552 1 15 . 1 1 77 77 LYS N N 77 120.800 120.800 119.003 1.797 25449
7553 1 15 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.462 0.108 25449
7554 1 15 . 1 1 77 77 LYS C C 77 175.100 175.100 174.683 0.417 25449
7555 1 15 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.538 -0.337 25449
7556 1 15 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.273 0.227 25449
7557 1 15 . 1 1 77 77 LYS H H 77 7.580 7.580 7.440 0.140 25449
7558 1 15 . 1 1 78 78 ARG N N 78 123.300 123.300 123.971 -0.671 25449
7559 1 15 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.594 -0.114 25449
7560 1 15 . 1 1 78 78 ARG C C 78 176.600 176.600 175.662 0.938 25449
7561 1 15 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.405 0.895 25449
7562 1 15 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.604 -0.304 25449
7563 1 15 . 1 1 78 78 ARG H H 78 8.580 8.580 8.495 0.085 25449
7564 1 15 . 1 1 79 79 ILE N N 79 120.100 120.100 123.768 -3.668 25449
7565 1 15 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.305 0.395 25449
7566 1 15 . 1 1 79 79 ILE C C 79 175.200 175.200 174.953 0.247 25449
7567 1 15 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.601 -0.601 25449
7568 1 15 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.592 0.808 25449
7569 1 15 . 1 1 79 79 ILE H H 79 8.450 8.450 8.382 0.068 25449
7570 1 15 . 1 1 80 80 HIS N N 80 119.900 119.900 125.992 -6.092 25449
7571 1 15 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.698 0.492 25449
7572 1 15 . 1 1 80 80 HIS C C 80 173.600 173.600 174.231 -0.631 25449
7573 1 15 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.795 -1.995 25449
7574 1 15 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.864 0.436 25449
7575 1 15 . 1 1 80 80 HIS H H 80 8.580 8.580 8.527 0.053 25449
7576 1 15 . 1 1 81 81 VAL N N 81 123.800 123.800 126.752 -2.952 25449
7577 1 15 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.301 0.979 25449
7578 1 15 . 1 1 81 81 VAL C C 81 173.600 173.600 174.244 -0.644 25449
7579 1 15 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.090 -0.890 25449
7580 1 15 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.114 1.886 25449
7581 1 15 . 1 1 81 81 VAL H H 81 8.650 8.650 8.095 0.555 25449
7582 1 15 . 1 1 82 82 ASN N N 82 121.100 121.100 124.314 -3.214 25449
7583 1 15 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.097 -0.347 25449
7584 1 15 . 1 1 82 82 ASN C C 82 174.000 174.000 172.940 1.060 25449
7585 1 15 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.850 0.050 25449
7586 1 15 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.130 0.770 25449
7587 1 15 . 1 1 82 82 ASN H H 82 8.890 8.890 8.097 0.793 25449
7588 1 15 . 1 1 83 83 TYR N N 83 120.400 120.400 121.072 -0.672 25449
7589 1 15 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.803 -0.003 25449
7590 1 15 . 1 1 83 83 TYR C C 83 177.100 177.100 174.969 2.131 25449
7591 1 15 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.014 1.386 25449
7592 1 15 . 1 1 83 83 TYR CB C 83 38.700 38.700 40.270 -1.570 25449
7593 1 15 . 1 1 83 83 TYR H H 83 8.480 8.480 8.736 -0.256 25449
7594 1 15 . 1 1 84 84 SER N N 84 118.000 118.000 117.352 0.648 25449
7595 1 15 . 1 1 84 84 SER HA H 84 4.520 4.520 4.686 -0.166 25449
7596 1 15 . 1 1 84 84 SER C C 84 174.100 174.100 173.386 0.714 25449
7597 1 15 . 1 1 84 84 SER CA C 84 57.700 57.700 56.416 1.284 25449
7598 1 15 . 1 1 84 84 SER CB C 84 64.300 64.300 65.317 -1.017 25449
7599 1 15 . 1 1 84 84 SER H H 84 9.040 9.040 7.372 1.668 25449
7600 1 15 . 1 1 85 85 LYS N N 85 125.300 125.300 126.406 -1.106 25449
7601 1 15 . 1 1 85 85 LYS HA H 85 4.440 4.440 3.983 0.457 25449
7602 1 15 . 1 1 85 85 LYS C C 85 175.600 175.600 176.009 -0.409 25449
7603 1 15 . 1 1 85 85 LYS CA C 85 56.300 56.300 57.037 -0.737 25449
7604 1 15 . 1 1 85 85 LYS CB C 85 33.700 33.700 31.919 1.781 25449
7605 1 15 . 1 1 85 85 LYS H H 85 8.410 8.410 8.541 -0.131 25449
7606 1 16 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.848 -0.248 25449
7607 1 16 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.709 -0.299 25449
7608 1 16 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.747 -1.747 25449
7609 1 16 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.919 -0.719 25449
7610 1 16 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.566 -0.666 25449
7611 1 16 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.638 0.032 25449
7612 1 16 . 1 1 0 0 HIS N N 0 121.200 121.200 119.741 1.459 25449
7613 1 16 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.696 -0.106 25449
7614 1 16 . 1 1 0 0 HIS C C 0 174.800 174.800 173.535 1.265 25449
7615 1 16 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.621 -0.521 25449
7616 1 16 . 1 1 0 0 HIS CB C 0 29.900 29.900 32.189 -2.289 25449
7617 1 16 . 1 1 0 0 HIS H H 0 8.730 8.730 7.727 1.003 25449
7618 1 16 . 1 1 1 1 MET N N 1 121.800 121.800 118.352 3.448 25449
7619 1 16 . 1 1 1 1 MET HA H 1 4.370 4.370 4.465 -0.095 25449
7620 1 16 . 1 1 1 1 MET C C 1 176.300 176.300 175.165 1.135 25449
7621 1 16 . 1 1 1 1 MET CA C 1 55.700 55.700 55.547 0.153 25449
7622 1 16 . 1 1 1 1 MET CB C 1 32.800 32.800 34.391 -1.591 25449
7623 1 16 . 1 1 1 1 MET H H 1 8.450 8.450 7.844 0.606 25449
7624 1 16 . 1 1 2 2 SER N N 2 116.700 116.700 114.835 1.865 25449
7625 1 16 . 1 1 2 2 SER HA H 2 4.370 4.370 4.167 0.203 25449
7626 1 16 . 1 1 2 2 SER C C 2 174.200 174.200 172.986 1.214 25449
7627 1 16 . 1 1 2 2 SER CA C 2 58.400 58.400 59.098 -0.698 25449
7628 1 16 . 1 1 2 2 SER CB C 2 63.800 63.800 63.186 0.614 25449
7629 1 16 . 1 1 2 2 SER H H 2 8.410 8.410 7.509 0.901 25449
7630 1 16 . 1 1 3 3 ASP N N 3 122.100 122.100 122.733 -0.633 25449
7631 1 16 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.865 -0.315 25449
7632 1 16 . 1 1 3 3 ASP C C 3 176.100 176.100 174.829 1.271 25449
7633 1 16 . 1 1 3 3 ASP CA C 3 54.500 54.500 53.425 1.075 25449
7634 1 16 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.278 -0.078 25449
7635 1 16 . 1 1 3 3 ASP H H 3 8.340 8.340 8.419 -0.079 25449
7636 1 16 . 1 1 4 4 ASN N N 4 119.100 119.100 121.031 -1.931 25449
7637 1 16 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.738 -0.158 25449
7638 1 16 . 1 1 4 4 ASN C C 4 174.900 174.900 174.112 0.788 25449
7639 1 16 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.459 1.241 25449
7640 1 16 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.700 -0.800 25449
7641 1 16 . 1 1 4 4 ASN H H 4 8.420 8.420 8.374 0.046 25449
7642 1 16 . 1 1 5 5 ASN N N 5 118.400 118.400 117.833 0.567 25449
7643 1 16 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.680 -0.140 25449
7644 1 16 . 1 1 5 5 ASN C C 5 173.900 173.900 174.594 -0.694 25449
7645 1 16 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.925 0.276 25449
7646 1 16 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.761 -0.061 25449
7647 1 16 . 1 1 5 5 ASN H H 5 8.340 8.340 8.431 -0.091 25449
7648 1 16 . 1 1 6 6 ALA N N 6 122.100 122.100 123.880 -1.780 25449
7649 1 16 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.298 -1.558 25449
7650 1 16 . 1 1 6 6 ALA C C 6 177.000 177.000 177.142 -0.142 25449
7651 1 16 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.917 -0.617 25449
7652 1 16 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.756 1.244 25449
7653 1 16 . 1 1 6 6 ALA H H 6 7.590 7.590 7.697 -0.107 25449
7654 1 16 . 1 1 7 7 THR N N 7 112.700 112.700 118.824 -6.124 25449
7655 1 16 . 1 1 7 7 THR HA H 7 4.390 4.390 4.358 0.032 25449
7656 1 16 . 1 1 7 7 THR C C 7 171.700 171.700 175.045 -3.345 25449
7657 1 16 . 1 1 7 7 THR CA C 7 59.800 59.800 61.219 -1.419 25449
7658 1 16 . 1 1 7 7 THR CB C 7 70.600 70.600 69.847 0.754 25449
7659 1 16 . 1 1 7 7 THR H H 7 6.840 6.840 7.974 -1.134 25449
7660 1 16 . 1 1 8 8 ASP N N 8 114.600 114.600 122.691 -8.091 25449
7661 1 16 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.231 0.259 25449
7662 1 16 . 1 1 8 8 ASP C C 8 174.300 174.300 174.449 -0.149 25449
7663 1 16 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.657 -2.157 25449
7664 1 16 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.650 0.150 25449
7665 1 16 . 1 1 8 8 ASP H H 8 8.170 8.170 8.810 -0.640 25449
7666 1 16 . 1 1 9 9 ILE N N 9 117.800 117.800 118.914 -1.114 25449
7667 1 16 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.101 -0.291 25449
7668 1 16 . 1 1 9 9 ILE C C 9 174.700 174.700 174.447 0.253 25449
7669 1 16 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.079 0.521 25449
7670 1 16 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.143 0.157 25449
7671 1 16 . 1 1 9 9 ILE H H 9 7.890 7.890 7.412 0.478 25449
7672 1 16 . 1 1 10 10 LEU N N 10 125.300 125.300 126.728 -1.428 25449
7673 1 16 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.874 0.086 25449
7674 1 16 . 1 1 10 10 LEU C C 10 176.100 176.100 174.953 1.147 25449
7675 1 16 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.823 -0.923 25449
7676 1 16 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.340 -2.240 25449
7677 1 16 . 1 1 10 10 LEU H H 10 9.370 9.370 8.089 1.281 25449
7678 1 16 . 1 1 11 11 PHE N N 11 124.300 124.300 126.621 -2.321 25449
7679 1 16 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.794 -0.124 25449
7680 1 16 . 1 1 11 11 PHE C C 11 173.400 173.400 174.270 -0.870 25449
7681 1 16 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.624 -0.624 25449
7682 1 16 . 1 1 11 11 PHE CB C 11 40.700 40.700 41.268 -0.568 25449
7683 1 16 . 1 1 11 11 PHE H H 11 9.310 9.310 8.337 0.973 25449
7684 1 16 . 1 1 12 12 VAL N N 12 128.300 128.300 124.679 3.621 25449
7685 1 16 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.304 0.116 25449
7686 1 16 . 1 1 12 12 VAL C C 12 173.900 173.900 174.360 -0.460 25449
7687 1 16 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.077 0.123 25449
7688 1 16 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.698 -2.598 25449
7689 1 16 . 1 1 12 12 VAL H H 12 8.380 8.380 7.575 0.805 25449
7690 1 16 . 1 1 13 13 GLY N N 13 111.800 111.800 111.055 0.745 25449
7691 1 16 . 1 1 13 13 GLY C C 13 173.800 173.800 173.689 0.111 25449
7692 1 16 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.711 -0.311 25449
7693 1 16 . 1 1 13 13 GLY H H 13 9.150 9.150 8.526 0.624 25449
7694 1 16 . 1 1 14 14 GLY N N 14 107.600 107.600 107.048 0.552 25449
7695 1 16 . 1 1 14 14 GLY C C 14 175.400 175.400 173.987 1.413 25449
7696 1 16 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.427 1.373 25449
7697 1 16 . 1 1 14 14 GLY H H 14 8.260 8.260 8.339 -0.079 25449
7698 1 16 . 1 1 15 15 ILE N N 15 111.100 111.100 121.106 -10.006 25449
7699 1 16 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.378 -0.338 25449
7700 1 16 . 1 1 15 15 ILE C C 15 175.500 175.500 175.362 0.138 25449
7701 1 16 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.805 1.695 25449
7702 1 16 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.095 -1.595 25449
7703 1 16 . 1 1 15 15 ILE H H 15 6.930 6.930 7.496 -0.566 25449
7704 1 16 . 1 1 16 16 ASP N N 16 122.800 122.800 120.114 2.686 25449
7705 1 16 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.473 0.107 25449
7706 1 16 . 1 1 16 16 ASP C C 16 177.200 177.200 176.936 0.264 25449
7707 1 16 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.477 -0.777 25449
7708 1 16 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.529 0.972 25449
7709 1 16 . 1 1 16 16 ASP H H 16 8.320 8.320 8.619 -0.299 25449
7710 1 16 . 1 1 17 17 GLU N N 17 119.600 119.600 117.094 2.506 25449
7711 1 16 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.323 -0.183 25449
7712 1 16 . 1 1 17 17 GLU C C 17 176.800 176.800 176.396 0.404 25449
7713 1 16 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.036 1.564 25449
7714 1 16 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.175 0.625 25449
7715 1 16 . 1 1 17 17 GLU H H 17 8.830 8.830 8.639 0.191 25449
7716 1 16 . 1 1 18 18 THR N N 18 111.300 111.300 114.472 -3.172 25449
7717 1 16 . 1 1 18 18 THR HA H 18 4.250 4.250 4.453 -0.203 25449
7718 1 16 . 1 1 18 18 THR C C 18 175.200 175.200 174.112 1.088 25449
7719 1 16 . 1 1 18 18 THR CA C 18 62.600 62.600 61.197 1.403 25449
7720 1 16 . 1 1 18 18 THR CB C 18 69.600 69.600 68.870 0.730 25449
7721 1 16 . 1 1 18 18 THR H H 18 8.740 8.740 7.777 0.963 25449
7722 1 16 . 1 1 19 19 ILE N N 19 123.300 123.300 116.977 6.323 25449
7723 1 16 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.367 -0.487 25449
7724 1 16 . 1 1 19 19 ILE C C 19 174.300 174.300 173.981 0.319 25449
7725 1 16 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.124 1.776 25449
7726 1 16 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.188 -3.588 25449
7727 1 16 . 1 1 19 19 ILE H H 19 7.220 7.220 7.339 -0.119 25449
7728 1 16 . 1 1 20 20 ASP N N 20 125.600 125.600 121.376 4.224 25449
7729 1 16 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.713 -0.073 25449
7730 1 16 . 1 1 20 20 ASP C C 20 175.300 175.300 177.287 -1.987 25449
7731 1 16 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.238 -1.738 25449
7732 1 16 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.872 -0.872 25449
7733 1 16 . 1 1 20 20 ASP H H 20 7.790 7.790 8.286 -0.496 25449
7734 1 16 . 1 1 21 21 GLU N N 21 118.400 118.400 120.722 -2.322 25449
7735 1 16 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.016 -0.386 25449
7736 1 16 . 1 1 21 21 GLU C C 21 177.900 177.900 177.993 -0.093 25449
7737 1 16 . 1 1 21 21 GLU CA C 21 60.900 60.900 59.956 0.944 25449
7738 1 16 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.597 -0.397 25449
7739 1 16 . 1 1 21 21 GLU H H 21 9.220 9.220 8.849 0.371 25449
7740 1 16 . 1 1 22 22 LYS N N 22 119.700 119.700 117.258 2.442 25449
7741 1 16 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.161 -0.101 25449
7742 1 16 . 1 1 22 22 LYS C C 22 178.500 178.500 178.646 -0.146 25449
7743 1 16 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.024 0.276 25449
7744 1 16 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.433 0.366 25449
7745 1 16 . 1 1 22 22 LYS H H 22 8.040 8.040 8.546 -0.506 25449
7746 1 16 . 1 1 23 23 SER N N 23 114.900 114.900 115.856 -0.956 25449
7747 1 16 . 1 1 23 23 SER HA H 23 4.300 4.300 4.304 -0.004 25449
7748 1 16 . 1 1 23 23 SER C C 23 177.600 177.600 176.126 1.474 25449
7749 1 16 . 1 1 23 23 SER CA C 23 61.800 61.800 61.320 0.480 25449
7750 1 16 . 1 1 23 23 SER CB C 23 62.900 62.900 62.379 0.521 25449
7751 1 16 . 1 1 23 23 SER H H 23 8.240 8.240 8.400 -0.160 25449
7752 1 16 . 1 1 24 24 LEU N N 24 118.800 118.800 120.432 -1.632 25449
7753 1 16 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.299 -0.119 25449
7754 1 16 . 1 1 24 24 LEU C C 24 178.700 178.700 178.519 0.181 25449
7755 1 16 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.288 1.012 25449
7756 1 16 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.920 0.180 25449
7757 1 16 . 1 1 24 24 LEU H H 24 7.750 7.750 7.455 0.295 25449
7758 1 16 . 1 1 25 25 TYR N N 25 123.200 123.200 120.862 2.338 25449
7759 1 16 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.123 -0.493 25449
7760 1 16 . 1 1 25 25 TYR C C 25 178.600 178.600 177.054 1.546 25449
7761 1 16 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.597 2.603 25449
7762 1 16 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.809 -0.609 25449
7763 1 16 . 1 1 25 25 TYR H H 25 8.970 8.970 7.364 1.606 25449
7764 1 16 . 1 1 26 26 ASP N N 26 119.800 119.800 118.441 1.359 25449
7765 1 16 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.605 -0.335 25449
7766 1 16 . 1 1 26 26 ASP C C 26 177.900 177.900 178.259 -0.359 25449
7767 1 16 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.780 -0.080 25449
7768 1 16 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.090 -1.090 25449
7769 1 16 . 1 1 26 26 ASP H H 26 8.510 8.510 7.765 0.745 25449
7770 1 16 . 1 1 27 27 ILE N N 27 114.700 114.700 119.092 -4.392 25449
7771 1 16 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.879 0.081 25449
7772 1 16 . 1 1 27 27 ILE C C 27 177.700 177.700 177.860 -0.160 25449
7773 1 16 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.990 -1.690 25449
7774 1 16 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.378 0.622 25449
7775 1 16 . 1 1 27 27 ILE H H 27 7.320 7.320 7.625 -0.305 25449
7776 1 16 . 1 1 28 28 PHE N N 28 116.900 116.900 116.210 0.690 25449
7777 1 16 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.540 -0.170 25449
7778 1 16 . 1 1 28 28 PHE C C 28 179.900 179.900 176.398 3.502 25449
7779 1 16 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.038 3.263 25449
7780 1 16 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.710 -1.410 25449
7781 1 16 . 1 1 28 28 PHE H H 28 8.650 8.650 8.250 0.400 25449
7782 1 16 . 1 1 29 29 SER N N 29 120.100 120.100 112.148 7.952 25449
7783 1 16 . 1 1 29 29 SER HA H 29 4.410 4.410 4.648 -0.238 25449
7784 1 16 . 1 1 29 29 SER C C 29 175.600 175.600 175.474 0.126 25449
7785 1 16 . 1 1 29 29 SER CA C 29 61.300 61.300 59.097 2.203 25449
7786 1 16 . 1 1 29 29 SER CB C 29 62.200 62.200 63.490 -1.290 25449
7787 1 16 . 1 1 29 29 SER H H 29 8.880 8.880 7.514 1.366 25449
7788 1 16 . 1 1 30 30 SER N N 30 116.200 116.200 117.304 -1.104 25449
7789 1 16 . 1 1 30 30 SER HA H 30 3.940 3.940 4.235 -0.295 25449
7790 1 16 . 1 1 30 30 SER C C 30 174.900 174.900 175.229 -0.329 25449
7791 1 16 . 1 1 30 30 SER CA C 30 60.400 60.400 60.702 -0.302 25449
7792 1 16 . 1 1 30 30 SER CB C 30 62.400 62.400 63.161 -0.761 25449
7793 1 16 . 1 1 30 30 SER H H 30 7.270 7.270 8.017 -0.747 25449
7794 1 16 . 1 1 31 31 PHE N N 31 115.600 115.600 121.553 -5.953 25449
7795 1 16 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.610 -0.330 25449
7796 1 16 . 1 1 31 31 PHE C C 31 174.100 174.100 176.279 -2.179 25449
7797 1 16 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.345 -0.445 25449
7798 1 16 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.495 -1.195 25449
7799 1 16 . 1 1 31 31 PHE H H 31 6.980 6.980 7.697 -0.717 25449
7800 1 16 . 1 1 32 32 GLY N N 32 104.900 104.900 107.051 -2.151 25449
7801 1 16 . 1 1 32 32 GLY C C 32 171.600 171.600 172.708 -1.108 25449
7802 1 16 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.399 -0.099 25449
7803 1 16 . 1 1 32 32 GLY H H 32 7.300 7.300 7.648 -0.348 25449
7804 1 16 . 1 1 33 33 ASP N N 33 116.100 116.100 126.283 -10.183 25449
7805 1 16 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.441 0.069 25449
7806 1 16 . 1 1 33 33 ASP C C 33 176.800 176.800 174.481 2.319 25449
7807 1 16 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.786 -0.386 25449
7808 1 16 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.176 -1.576 25449
7809 1 16 . 1 1 33 33 ASP H H 33 8.120 8.120 8.453 -0.333 25449
7810 1 16 . 1 1 34 34 ILE N N 34 126.400 126.400 119.324 7.076 25449
7811 1 16 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.096 -0.246 25449
7812 1 16 . 1 1 34 34 ILE C C 34 176.200 176.200 176.270 -0.070 25449
7813 1 16 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.300 1.899 25449
7814 1 16 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.873 1.028 25449
7815 1 16 . 1 1 34 34 ILE H H 34 8.670 8.670 8.005 0.665 25449
7816 1 16 . 1 1 35 35 ARG N N 35 128.900 128.900 127.374 1.526 25449
7817 1 16 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.212 -0.052 25449
7818 1 16 . 1 1 35 35 ARG C C 35 175.600 175.600 175.847 -0.247 25449
7819 1 16 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.712 -0.212 25449
7820 1 16 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.218 0.482 25449
7821 1 16 . 1 1 35 35 ARG H H 35 9.320 9.320 8.494 0.826 25449
7822 1 16 . 1 1 36 36 ASN N N 36 114.300 114.300 114.103 0.197 25449
7823 1 16 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.783 -0.073 25449
7824 1 16 . 1 1 36 36 ASN C C 36 172.000 172.000 172.799 -0.799 25449
7825 1 16 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.124 0.376 25449
7826 1 16 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.516 2.084 25449
7827 1 16 . 1 1 36 36 ASN H H 36 7.620 7.620 7.980 -0.360 25449
7828 1 16 . 1 1 37 37 ILE N N 37 122.700 122.700 120.799 1.901 25449
7829 1 16 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.327 0.443 25449
7830 1 16 . 1 1 37 37 ILE C C 37 173.300 173.300 174.238 -0.938 25449
7831 1 16 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.769 -1.169 25449
7832 1 16 . 1 1 37 37 ILE CB C 37 41.200 41.200 41.530 -0.330 25449
7833 1 16 . 1 1 37 37 ILE H H 37 8.030 8.030 8.470 -0.440 25449
7834 1 16 . 1 1 38 38 GLU N N 38 126.700 126.700 129.167 -2.467 25449
7835 1 16 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.720 -0.060 25449
7836 1 16 . 1 1 38 38 GLU C C 38 174.800 174.800 174.187 0.613 25449
7837 1 16 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.753 -1.353 25449
7838 1 16 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.706 1.694 25449
7839 1 16 . 1 1 38 38 GLU H H 38 8.870 8.870 8.617 0.253 25449
7840 1 16 . 1 1 39 39 VAL N N 39 126.400 126.400 126.438 -0.038 25449
7841 1 16 . 1 1 39 39 VAL CA C 39 58.700 58.700 57.969 0.731 25449
7842 1 16 . 1 1 39 39 VAL CB C 39 32.600 32.600 34.193 -1.593 25449
7843 1 16 . 1 1 39 39 VAL H H 39 8.970 8.970 8.354 0.616 25449
7844 1 16 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.616 -0.386 25449
7845 1 16 . 1 1 40 40 PRO C C 40 176.300 176.300 175.177 1.123 25449
7846 1 16 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.709 0.591 25449
7847 1 16 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.502 -0.002 25449
7848 1 16 . 1 1 41 41 LEU N N 41 120.700 120.700 122.804 -2.104 25449
7849 1 16 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.601 -0.081 25449
7850 1 16 . 1 1 41 41 LEU C C 41 177.900 177.900 175.958 1.942 25449
7851 1 16 . 1 1 41 41 LEU CA C 41 53.100 53.100 54.075 -0.975 25449
7852 1 16 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.236 -0.936 25449
7853 1 16 . 1 1 41 41 LEU H H 41 8.520 8.520 8.271 0.249 25449
7854 1 16 . 1 1 42 42 ASN N N 42 121.400 121.400 122.096 -0.696 25449
7855 1 16 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.969 -0.409 25449
7856 1 16 . 1 1 42 42 ASN C C 42 176.700 176.700 176.233 0.467 25449
7857 1 16 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.329 0.571 25449
7858 1 16 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.107 -1.107 25449
7859 1 16 . 1 1 42 42 ASN H H 42 8.740 8.740 8.536 0.204 25449
7860 1 16 . 1 1 43 43 MET N N 43 125.500 125.500 124.312 1.188 25449
7861 1 16 . 1 1 43 43 MET HA H 43 4.210 4.210 4.384 -0.174 25449
7862 1 16 . 1 1 43 43 MET C C 43 177.200 177.200 176.108 1.092 25449
7863 1 16 . 1 1 43 43 MET CA C 43 57.100 57.100 57.200 -0.100 25449
7864 1 16 . 1 1 43 43 MET CB C 43 31.600 31.600 31.900 -0.300 25449
7865 1 16 . 1 1 43 43 MET H H 43 9.080 9.080 9.001 0.079 25449
7866 1 16 . 1 1 44 44 THR N N 44 114.400 114.400 113.117 1.283 25449
7867 1 16 . 1 1 44 44 THR HA H 44 4.160 4.160 4.329 -0.169 25449
7868 1 16 . 1 1 44 44 THR C C 44 175.900 175.900 175.505 0.395 25449
7869 1 16 . 1 1 44 44 THR CA C 44 65.200 65.200 64.542 0.658 25449
7870 1 16 . 1 1 44 44 THR CB C 44 68.700 68.700 69.117 -0.417 25449
7871 1 16 . 1 1 44 44 THR H H 44 8.590 8.590 7.935 0.655 25449
7872 1 16 . 1 1 45 45 THR N N 45 110.300 110.300 114.360 -4.060 25449
7873 1 16 . 1 1 45 45 THR HA H 45 4.160 4.160 4.426 -0.266 25449
7874 1 16 . 1 1 45 45 THR C C 45 175.500 175.500 173.817 1.683 25449
7875 1 16 . 1 1 45 45 THR CA C 45 62.000 62.000 61.377 0.623 25449
7876 1 16 . 1 1 45 45 THR CB C 45 70.000 70.000 69.680 0.320 25449
7877 1 16 . 1 1 45 45 THR H H 45 7.610 7.610 7.841 -0.231 25449
7878 1 16 . 1 1 46 46 LYS N N 46 115.700 115.700 121.184 -5.484 25449
7879 1 16 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.862 -0.142 25449
7880 1 16 . 1 1 46 46 LYS C C 46 174.600 174.600 174.691 -0.091 25449
7881 1 16 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.485 0.115 25449
7882 1 16 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.846 -1.946 25449
7883 1 16 . 1 1 46 46 LYS H H 46 8.460 8.460 8.000 0.460 25449
7884 1 16 . 1 1 47 47 LYS N N 47 117.100 117.100 116.800 0.300 25449
7885 1 16 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.222 0.458 25449
7886 1 16 . 1 1 47 47 LYS C C 47 176.300 176.300 177.113 -0.813 25449
7887 1 16 . 1 1 47 47 LYS CA C 47 54.000 54.000 56.223 -2.223 25449
7888 1 16 . 1 1 47 47 LYS CB C 47 35.100 35.100 32.592 2.508 25449
7889 1 16 . 1 1 47 47 LYS H H 47 7.610 7.610 8.029 -0.419 25449
7890 1 16 . 1 1 48 48 ASN N N 48 117.700 117.700 119.985 -2.285 25449
7891 1 16 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.684 0.016 25449
7892 1 16 . 1 1 48 48 ASN C C 48 174.000 174.000 175.389 -1.389 25449
7893 1 16 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.268 1.332 25449
7894 1 16 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.157 -1.457 25449
7895 1 16 . 1 1 48 48 ASN H H 48 8.740 8.740 8.817 -0.077 25449
7896 1 16 . 1 1 49 49 ARG N N 49 116.800 116.800 116.800 0.000 25449
7897 1 16 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.062 0.288 25449
7898 1 16 . 1 1 49 49 ARG C C 49 177.500 177.500 176.394 1.106 25449
7899 1 16 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.541 -0.941 25449
7900 1 16 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.201 4.399 25449
7901 1 16 . 1 1 49 49 ARG H H 49 8.530 8.530 8.112 0.418 25449
7902 1 16 . 1 1 50 50 GLY N N 50 108.300 108.300 105.404 2.896 25449
7903 1 16 . 1 1 50 50 GLY C C 50 173.500 173.500 173.298 0.202 25449
7904 1 16 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.558 0.242 25449
7905 1 16 . 1 1 50 50 GLY H H 50 8.900 8.900 8.838 0.062 25449
7906 1 16 . 1 1 51 51 PHE N N 51 113.900 113.900 116.900 -3.000 25449
7907 1 16 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.762 0.708 25449
7908 1 16 . 1 1 51 51 PHE C C 51 172.000 172.000 172.237 -0.237 25449
7909 1 16 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.639 -0.639 25449
7910 1 16 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.978 1.722 25449
7911 1 16 . 1 1 51 51 PHE H H 51 6.910 6.910 7.234 -0.324 25449
7912 1 16 . 1 1 52 52 ALA N N 52 120.500 120.500 125.753 -5.253 25449
7913 1 16 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.411 0.219 25449
7914 1 16 . 1 1 52 52 ALA C C 52 173.900 173.900 174.366 -0.466 25449
7915 1 16 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.414 -0.214 25449
7916 1 16 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.461 2.639 25449
7917 1 16 . 1 1 52 52 ALA H H 52 8.810 8.810 7.877 0.933 25449
7918 1 16 . 1 1 53 53 PHE N N 53 115.000 115.000 119.048 -4.048 25449
7919 1 16 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.842 0.818 25449
7920 1 16 . 1 1 53 53 PHE C C 53 175.600 175.600 175.326 0.274 25449
7921 1 16 . 1 1 53 53 PHE CA C 53 56.200 56.200 57.259 -1.059 25449
7922 1 16 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.909 0.491 25449
7923 1 16 . 1 1 53 53 PHE H H 53 8.730 8.730 7.987 0.743 25449
7924 1 16 . 1 1 54 54 VAL N N 54 122.300 122.300 121.844 0.456 25449
7925 1 16 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.260 -0.160 25449
7926 1 16 . 1 1 54 54 VAL C C 54 173.000 173.000 174.086 -1.086 25449
7927 1 16 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.617 0.083 25449
7928 1 16 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.817 -0.417 25449
7929 1 16 . 1 1 54 54 VAL H H 54 9.060 9.060 8.585 0.475 25449
7930 1 16 . 1 1 55 55 GLU N N 55 127.300 127.300 127.381 -0.081 25449
7931 1 16 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.869 0.291 25449
7932 1 16 . 1 1 55 55 GLU C C 55 175.900 175.900 175.484 0.416 25449
7933 1 16 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.365 -0.365 25449
7934 1 16 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.440 0.260 25449
7935 1 16 . 1 1 55 55 GLU H H 55 8.860 8.860 8.170 0.690 25449
7936 1 16 . 1 1 56 56 TYR N N 56 127.500 127.500 123.904 3.596 25449
7937 1 16 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.459 0.061 25449
7938 1 16 . 1 1 56 56 TYR C C 56 175.000 175.000 176.506 -1.506 25449
7939 1 16 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.200 0.500 25449
7940 1 16 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.055 0.145 25449
7941 1 16 . 1 1 56 56 TYR H H 56 9.470 9.470 8.879 0.591 25449
7942 1 16 . 1 1 57 57 VAL N N 57 119.200 119.200 119.310 -0.110 25449
7943 1 16 . 1 1 57 57 VAL HA H 57 3.570 3.570 4.001 -0.431 25449
7944 1 16 . 1 1 57 57 VAL C C 57 177.000 177.000 175.431 1.569 25449
7945 1 16 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.581 1.719 25449
7946 1 16 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.317 -0.317 25449
7947 1 16 . 1 1 57 57 VAL H H 57 7.800 7.800 8.016 -0.216 25449
7948 1 16 . 1 1 58 58 GLU N N 58 118.500 118.500 118.381 0.119 25449
7949 1 16 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.573 0.207 25449
7950 1 16 . 1 1 58 58 GLU C C 58 177.500 177.500 176.330 1.170 25449
7951 1 16 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.205 -1.405 25449
7952 1 16 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.573 -0.073 25449
7953 1 16 . 1 1 58 58 GLU H H 58 9.530 9.530 8.086 1.444 25449
7954 1 16 . 1 1 59 59 VAL N N 59 125.200 125.200 124.282 0.918 25449
7955 1 16 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.833 -0.303 25449
7956 1 16 . 1 1 59 59 VAL C C 59 177.600 177.600 176.737 0.863 25449
7957 1 16 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.005 1.095 25449
7958 1 16 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.319 -0.619 25449
7959 1 16 . 1 1 59 59 VAL H H 59 8.650 8.650 8.727 -0.077 25449
7960 1 16 . 1 1 60 60 ASP N N 60 118.500 118.500 119.459 -0.959 25449
7961 1 16 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449
7962 1 16 . 1 1 60 60 ASP C C 60 178.300 178.300 177.659 0.641 25449
7963 1 16 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.707 -0.107 25449
7964 1 16 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.516 -0.016 25449
7965 1 16 . 1 1 60 60 ASP H H 60 8.970 8.970 8.514 0.456 25449
7966 1 16 . 1 1 61 61 ASP N N 61 119.900 119.900 120.048 -0.148 25449
7967 1 16 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.296 0.064 25449
7968 1 16 . 1 1 61 61 ASP C C 61 176.800 176.800 178.239 -1.439 25449
7969 1 16 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.294 -0.394 25449
7970 1 16 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.421 -0.621 25449
7971 1 16 . 1 1 61 61 ASP H H 61 6.920 6.920 8.550 -1.630 25449
7972 1 16 . 1 1 62 62 ALA N N 62 122.700 122.700 122.610 0.090 25449
7973 1 16 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.129 0.251 25449
7974 1 16 . 1 1 62 62 ALA C C 62 171.600 171.600 179.191 -7.591 25449
7975 1 16 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.056 0.044 25449
7976 1 16 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.373 -0.173 25449
7977 1 16 . 1 1 62 62 ALA H H 62 6.910 6.910 7.719 -0.809 25449
7978 1 16 . 1 1 63 63 LYS N N 63 116.200 116.200 118.185 -1.985 25449
7979 1 16 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.871 0.319 25449
7980 1 16 . 1 1 63 63 LYS C C 63 179.200 179.200 178.991 0.209 25449
7981 1 16 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.361 -0.061 25449
7982 1 16 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.988 0.612 25449
7983 1 16 . 1 1 63 63 LYS H H 63 8.020 8.020 7.466 0.554 25449
7984 1 16 . 1 1 64 64 HIS N N 64 117.400 117.400 117.293 0.107 25449
7985 1 16 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.298 0.012 25449
7986 1 16 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.424 -0.424 25449
7987 1 16 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.740 -0.640 25449
7988 1 16 . 1 1 64 64 HIS H H 64 7.460 7.460 7.426 0.034 25449
7989 1 16 . 1 1 65 65 ALA N N 65 123.700 123.700 122.001 1.699 25449
7990 1 16 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.886 -1.716 25449
7991 1 16 . 1 1 65 65 ALA C C 65 178.700 178.700 178.716 -0.016 25449
7992 1 16 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.859 -0.059 25449
7993 1 16 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.710 0.690 25449
7994 1 16 . 1 1 65 65 ALA H H 65 8.190 8.190 7.631 0.559 25449
7995 1 16 . 1 1 66 66 LEU N N 66 119.800 119.800 117.809 1.991 25449
7996 1 16 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.123 -0.693 25449
7997 1 16 . 1 1 66 66 LEU C C 66 178.700 178.700 178.950 -0.250 25449
7998 1 16 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.526 2.174 25449
7999 1 16 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.792 -0.692 25449
8000 1 16 . 1 1 66 66 LEU H H 66 8.340 8.340 7.422 0.918 25449
8001 1 16 . 1 1 67 67 TYR N N 67 116.200 116.200 120.592 -4.392 25449
8002 1 16 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.180 -0.170 25449
8003 1 16 . 1 1 67 67 TYR C C 67 177.700 177.700 177.850 -0.150 25449
8004 1 16 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.112 -1.612 25449
8005 1 16 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.438 -0.338 25449
8006 1 16 . 1 1 67 67 TYR H H 67 7.760 7.760 7.773 -0.013 25449
8007 1 16 . 1 1 68 68 ASN N N 68 113.900 113.900 115.962 -2.062 25449
8008 1 16 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.624 -0.194 25449
8009 1 16 . 1 1 68 68 ASN C C 68 176.400 176.400 176.016 0.384 25449
8010 1 16 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.908 0.692 25449
8011 1 16 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.590 2.810 25449
8012 1 16 . 1 1 68 68 ASN H H 68 7.480 7.480 7.884 -0.404 25449
8013 1 16 . 1 1 69 69 MET N N 69 114.900 114.900 115.686 -0.786 25449
8014 1 16 . 1 1 69 69 MET HA H 69 4.760 4.760 4.575 0.185 25449
8015 1 16 . 1 1 69 69 MET C C 69 177.000 177.000 176.132 0.868 25449
8016 1 16 . 1 1 69 69 MET CA C 69 53.500 53.500 53.596 -0.096 25449
8017 1 16 . 1 1 69 69 MET CB C 69 31.100 31.100 32.281 -1.181 25449
8018 1 16 . 1 1 69 69 MET H H 69 8.310 8.310 7.523 0.787 25449
8019 1 16 . 1 1 70 70 ASN N N 70 117.700 117.700 116.955 0.745 25449
8020 1 16 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.670 -0.300 25449
8021 1 16 . 1 1 70 70 ASN C C 70 176.400 176.400 176.045 0.355 25449
8022 1 16 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.605 1.495 25449
8023 1 16 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.406 0.294 25449
8024 1 16 . 1 1 70 70 ASN H H 70 7.660 7.660 7.637 0.023 25449
8025 1 16 . 1 1 71 71 ASN N N 71 121.500 121.500 116.601 4.899 25449
8026 1 16 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.699 -0.189 25449
8027 1 16 . 1 1 71 71 ASN C C 71 173.300 173.300 174.603 -1.303 25449
8028 1 16 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.191 2.610 25449
8029 1 16 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.588 -0.388 25449
8030 1 16 . 1 1 71 71 ASN H H 71 8.600 8.600 8.365 0.235 25449
8031 1 16 . 1 1 72 72 PHE N N 72 122.300 122.300 121.322 0.978 25449
8032 1 16 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.541 -0.351 25449
8033 1 16 . 1 1 72 72 PHE C C 72 174.100 174.100 173.794 0.306 25449
8034 1 16 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.068 1.632 25449
8035 1 16 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.415 0.885 25449
8036 1 16 . 1 1 72 72 PHE H H 72 7.870 7.870 7.614 0.256 25449
8037 1 16 . 1 1 73 73 GLU N N 73 126.100 126.100 128.555 -2.455 25449
8038 1 16 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.603 -0.373 25449
8039 1 16 . 1 1 73 73 GLU C C 73 173.000 173.000 174.525 -1.525 25449
8040 1 16 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.469 1.131 25449
8041 1 16 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.748 -1.448 25449
8042 1 16 . 1 1 73 73 GLU H H 73 7.690 7.690 8.258 -0.568 25449
8043 1 16 . 1 1 74 74 LEU N N 74 128.900 128.900 127.504 1.396 25449
8044 1 16 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.239 0.281 25449
8045 1 16 . 1 1 74 74 LEU C C 74 175.500 175.500 176.042 -0.542 25449
8046 1 16 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.463 -1.163 25449
8047 1 16 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.668 1.932 25449
8048 1 16 . 1 1 74 74 LEU H H 74 8.620 8.620 7.973 0.647 25449
8049 1 16 . 1 1 75 75 ASN N N 75 126.800 126.800 121.500 5.300 25449
8050 1 16 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.491 -0.281 25449
8051 1 16 . 1 1 75 75 ASN C C 75 175.600 175.600 175.696 -0.096 25449
8052 1 16 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.812 0.088 25449
8053 1 16 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.889 0.011 25449
8054 1 16 . 1 1 75 75 ASN H H 75 9.520 9.520 9.088 0.432 25449
8055 1 16 . 1 1 76 76 GLY N N 76 102.300 102.300 101.484 0.816 25449
8056 1 16 . 1 1 76 76 GLY C C 76 173.600 173.600 173.553 0.047 25449
8057 1 16 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.458 -0.158 25449
8058 1 16 . 1 1 76 76 GLY H H 76 8.500 8.500 8.613 -0.113 25449
8059 1 16 . 1 1 77 77 LYS N N 77 120.800 120.800 118.078 2.722 25449
8060 1 16 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.444 0.126 25449
8061 1 16 . 1 1 77 77 LYS C C 77 175.100 175.100 174.307 0.793 25449
8062 1 16 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.711 -0.511 25449
8063 1 16 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.270 -0.770 25449
8064 1 16 . 1 1 77 77 LYS H H 77 7.580 7.580 7.276 0.304 25449
8065 1 16 . 1 1 78 78 ARG N N 78 123.300 123.300 124.056 -0.756 25449
8066 1 16 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.457 0.023 25449
8067 1 16 . 1 1 78 78 ARG C C 78 176.600 176.600 175.907 0.693 25449
8068 1 16 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.160 0.140 25449
8069 1 16 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.305 -1.005 25449
8070 1 16 . 1 1 78 78 ARG H H 78 8.580 8.580 8.349 0.231 25449
8071 1 16 . 1 1 79 79 ILE N N 79 120.100 120.100 122.627 -2.527 25449
8072 1 16 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.401 0.299 25449
8073 1 16 . 1 1 79 79 ILE C C 79 175.200 175.200 175.015 0.185 25449
8074 1 16 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.121 -0.121 25449
8075 1 16 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.410 -0.010 25449
8076 1 16 . 1 1 79 79 ILE H H 79 8.450 8.450 8.339 0.111 25449
8077 1 16 . 1 1 80 80 HIS N N 80 119.900 119.900 124.778 -4.878 25449
8078 1 16 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.675 0.515 25449
8079 1 16 . 1 1 80 80 HIS C C 80 173.600 173.600 174.693 -1.093 25449
8080 1 16 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.742 -1.942 25449
8081 1 16 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.504 0.796 25449
8082 1 16 . 1 1 80 80 HIS H H 80 8.580 8.580 8.467 0.113 25449
8083 1 16 . 1 1 81 81 VAL N N 81 123.800 123.800 126.573 -2.773 25449
8084 1 16 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.581 0.699 25449
8085 1 16 . 1 1 81 81 VAL C C 81 173.600 173.600 174.456 -0.856 25449
8086 1 16 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.351 -1.151 25449
8087 1 16 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.247 1.753 25449
8088 1 16 . 1 1 81 81 VAL H H 81 8.650 8.650 8.671 -0.021 25449
8089 1 16 . 1 1 82 82 ASN N N 82 121.100 121.100 124.107 -3.007 25449
8090 1 16 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.532 -0.782 25449
8091 1 16 . 1 1 82 82 ASN C C 82 174.000 174.000 173.608 0.392 25449
8092 1 16 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.862 0.038 25449
8093 1 16 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.235 1.665 25449
8094 1 16 . 1 1 82 82 ASN H H 82 8.890 8.890 8.202 0.688 25449
8095 1 16 . 1 1 83 83 TYR N N 83 120.400 120.400 119.992 0.408 25449
8096 1 16 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.737 0.063 25449
8097 1 16 . 1 1 83 83 TYR C C 83 177.100 177.100 175.340 1.760 25449
8098 1 16 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.910 0.490 25449
8099 1 16 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.315 -0.615 25449
8100 1 16 . 1 1 83 83 TYR H H 83 8.480 8.480 8.217 0.263 25449
8101 1 16 . 1 1 84 84 SER N N 84 118.000 118.000 117.760 0.240 25449
8102 1 16 . 1 1 84 84 SER HA H 84 4.520 4.520 4.379 0.141 25449
8103 1 16 . 1 1 84 84 SER C C 84 174.100 174.100 172.894 1.206 25449
8104 1 16 . 1 1 84 84 SER CA C 84 57.700 57.700 56.596 1.104 25449
8105 1 16 . 1 1 84 84 SER CB C 84 64.300 64.300 65.019 -0.719 25449
8106 1 16 . 1 1 84 84 SER H H 84 9.040 9.040 7.982 1.058 25449
8107 1 16 . 1 1 85 85 LYS N N 85 125.300 125.300 121.069 4.231 25449
8108 1 16 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.269 0.171 25449
8109 1 16 . 1 1 85 85 LYS C C 85 175.600 175.600 175.066 0.534 25449
8110 1 16 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.955 0.345 25449
8111 1 16 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.855 0.845 25449
8112 1 16 . 1 1 85 85 LYS H H 85 8.410 8.410 8.304 0.106 25449
8113 1 17 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.673 -1.073 25449
8114 1 17 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.769 -0.359 25449
8115 1 17 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.886 -1.886 25449
8116 1 17 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.532 0.668 25449
8117 1 17 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.710 -1.810 25449
8118 1 17 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.400 0.270 25449
8119 1 17 . 1 1 0 0 HIS N N 0 121.200 121.200 120.167 1.033 25449
8120 1 17 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.720 -0.130 25449
8121 1 17 . 1 1 0 0 HIS C C 0 174.800 174.800 174.530 0.270 25449
8122 1 17 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.457 0.643 25449
8123 1 17 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.648 -1.748 25449
8124 1 17 . 1 1 0 0 HIS H H 0 8.730 8.730 8.576 0.154 25449
8125 1 17 . 1 1 1 1 MET N N 1 121.800 121.800 120.949 0.851 25449
8126 1 17 . 1 1 1 1 MET HA H 1 4.370 4.370 4.415 -0.045 25449
8127 1 17 . 1 1 1 1 MET C C 1 176.300 176.300 176.252 0.048 25449
8128 1 17 . 1 1 1 1 MET CA C 1 55.700 55.700 55.547 0.153 25449
8129 1 17 . 1 1 1 1 MET CB C 1 32.800 32.800 31.759 1.041 25449
8130 1 17 . 1 1 1 1 MET H H 1 8.450 8.450 8.370 0.080 25449
8131 1 17 . 1 1 2 2 SER N N 2 116.700 116.700 119.558 -2.858 25449
8132 1 17 . 1 1 2 2 SER HA H 2 4.370 4.370 4.523 -0.153 25449
8133 1 17 . 1 1 2 2 SER C C 2 174.200 174.200 173.908 0.292 25449
8134 1 17 . 1 1 2 2 SER CA C 2 58.400 58.400 57.761 0.639 25449
8135 1 17 . 1 1 2 2 SER CB C 2 63.800 63.800 64.500 -0.700 25449
8136 1 17 . 1 1 2 2 SER H H 2 8.410 8.410 8.242 0.168 25449
8137 1 17 . 1 1 3 3 ASP N N 3 122.100 122.100 120.300 1.800 25449
8138 1 17 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.492 0.058 25449
8139 1 17 . 1 1 3 3 ASP C C 3 176.100 176.100 174.189 1.911 25449
8140 1 17 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.637 -0.137 25449
8141 1 17 . 1 1 3 3 ASP CB C 3 41.200 41.200 40.599 0.601 25449
8142 1 17 . 1 1 3 3 ASP H H 3 8.340 8.340 8.652 -0.312 25449
8143 1 17 . 1 1 4 4 ASN N N 4 119.100 119.100 119.805 -0.705 25449
8144 1 17 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.737 -0.157 25449
8145 1 17 . 1 1 4 4 ASN C C 4 174.900 174.900 175.099 -0.199 25449
8146 1 17 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.369 1.331 25449
8147 1 17 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.205 -1.305 25449
8148 1 17 . 1 1 4 4 ASN H H 4 8.420 8.420 8.201 0.219 25449
8149 1 17 . 1 1 5 5 ASN N N 5 118.400 118.400 118.553 -0.153 25449
8150 1 17 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.614 -0.074 25449
8151 1 17 . 1 1 5 5 ASN C C 5 173.900 173.900 174.424 -0.524 25449
8152 1 17 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.808 0.392 25449
8153 1 17 . 1 1 5 5 ASN CB C 5 38.700 38.700 37.320 1.380 25449
8154 1 17 . 1 1 5 5 ASN H H 5 8.340 8.340 8.528 -0.188 25449
8155 1 17 . 1 1 6 6 ALA N N 6 122.100 122.100 123.614 -1.514 25449
8156 1 17 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.014 -1.274 25449
8157 1 17 . 1 1 6 6 ALA C C 6 177.000 177.000 176.899 0.101 25449
8158 1 17 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.555 -0.255 25449
8159 1 17 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.622 1.378 25449
8160 1 17 . 1 1 6 6 ALA H H 6 7.590 7.590 7.115 0.475 25449
8161 1 17 . 1 1 7 7 THR N N 7 112.700 112.700 118.724 -6.024 25449
8162 1 17 . 1 1 7 7 THR HA H 7 4.390 4.390 4.409 -0.019 25449
8163 1 17 . 1 1 7 7 THR C C 7 171.700 171.700 175.101 -3.401 25449
8164 1 17 . 1 1 7 7 THR CA C 7 59.800 59.800 61.387 -1.587 25449
8165 1 17 . 1 1 7 7 THR CB C 7 70.600 70.600 70.405 0.195 25449
8166 1 17 . 1 1 7 7 THR H H 7 6.840 6.840 7.666 -0.826 25449
8167 1 17 . 1 1 8 8 ASP N N 8 114.600 114.600 124.272 -9.672 25449
8168 1 17 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.302 0.188 25449
8169 1 17 . 1 1 8 8 ASP C C 8 174.300 174.300 174.331 -0.031 25449
8170 1 17 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.872 -2.372 25449
8171 1 17 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.464 -0.664 25449
8172 1 17 . 1 1 8 8 ASP H H 8 8.170 8.170 8.902 -0.732 25449
8173 1 17 . 1 1 9 9 ILE N N 9 117.800 117.800 118.313 -0.513 25449
8174 1 17 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.397 0.413 25449
8175 1 17 . 1 1 9 9 ILE C C 9 174.700 174.700 174.004 0.696 25449
8176 1 17 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.225 0.375 25449
8177 1 17 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.447 -0.147 25449
8178 1 17 . 1 1 9 9 ILE H H 9 7.890 7.890 7.500 0.391 25449
8179 1 17 . 1 1 10 10 LEU N N 10 125.300 125.300 127.515 -2.215 25449
8180 1 17 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.880 0.080 25449
8181 1 17 . 1 1 10 10 LEU C C 10 176.100 176.100 175.393 0.707 25449
8182 1 17 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.116 -1.216 25449
8183 1 17 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.684 -1.584 25449
8184 1 17 . 1 1 10 10 LEU H H 10 9.370 9.370 8.339 1.031 25449
8185 1 17 . 1 1 11 11 PHE N N 11 124.300 124.300 127.118 -2.818 25449
8186 1 17 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.784 -0.114 25449
8187 1 17 . 1 1 11 11 PHE C C 11 173.400 173.400 173.917 -0.517 25449
8188 1 17 . 1 1 11 11 PHE CA C 11 57.000 57.000 56.943 0.057 25449
8189 1 17 . 1 1 11 11 PHE CB C 11 40.700 40.700 39.906 0.794 25449
8190 1 17 . 1 1 11 11 PHE H H 11 9.310 9.310 8.730 0.580 25449
8191 1 17 . 1 1 12 12 VAL N N 12 128.300 128.300 127.651 0.649 25449
8192 1 17 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.428 -0.008 25449
8193 1 17 . 1 1 12 12 VAL C C 12 173.900 173.900 175.315 -1.415 25449
8194 1 17 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.863 -0.663 25449
8195 1 17 . 1 1 12 12 VAL CB C 12 33.100 33.100 31.507 1.593 25449
8196 1 17 . 1 1 12 12 VAL H H 12 8.380 8.380 7.738 0.642 25449
8197 1 17 . 1 1 13 13 GLY N N 13 111.800 111.800 112.455 -0.655 25449
8198 1 17 . 1 1 13 13 GLY C C 13 173.800 173.800 173.675 0.125 25449
8199 1 17 . 1 1 13 13 GLY CA C 13 43.400 43.400 42.849 0.551 25449
8200 1 17 . 1 1 13 13 GLY H H 13 9.150 9.150 7.226 1.924 25449
8201 1 17 . 1 1 14 14 GLY N N 14 107.600 107.600 107.956 -0.356 25449
8202 1 17 . 1 1 14 14 GLY C C 14 175.400 175.400 174.053 1.347 25449
8203 1 17 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.808 0.992 25449
8204 1 17 . 1 1 14 14 GLY H H 14 8.260 8.260 8.424 -0.164 25449
8205 1 17 . 1 1 15 15 ILE N N 15 111.100 111.100 117.004 -5.904 25449
8206 1 17 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.474 -0.434 25449
8207 1 17 . 1 1 15 15 ILE C C 15 175.500 175.500 174.617 0.883 25449
8208 1 17 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.932 1.568 25449
8209 1 17 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.288 -0.787 25449
8210 1 17 . 1 1 15 15 ILE H H 15 6.930 6.930 7.139 -0.209 25449
8211 1 17 . 1 1 16 16 ASP N N 16 122.800 122.800 124.024 -1.224 25449
8212 1 17 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.457 0.123 25449
8213 1 17 . 1 1 16 16 ASP C C 16 177.200 177.200 176.930 0.270 25449
8214 1 17 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.964 -0.264 25449
8215 1 17 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.080 0.420 25449
8216 1 17 . 1 1 16 16 ASP H H 16 8.320 8.320 8.528 -0.208 25449
8217 1 17 . 1 1 17 17 GLU N N 17 119.600 119.600 114.427 5.173 25449
8218 1 17 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.153 -0.013 25449
8219 1 17 . 1 1 17 17 GLU C C 17 176.800 176.800 176.037 0.763 25449
8220 1 17 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.353 1.247 25449
8221 1 17 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.023 0.777 25449
8222 1 17 . 1 1 17 17 GLU H H 17 8.830 8.830 8.609 0.221 25449
8223 1 17 . 1 1 18 18 THR N N 18 111.300 111.300 113.721 -2.421 25449
8224 1 17 . 1 1 18 18 THR HA H 18 4.250 4.250 4.542 -0.292 25449
8225 1 17 . 1 1 18 18 THR C C 18 175.200 175.200 174.309 0.891 25449
8226 1 17 . 1 1 18 18 THR CA C 18 62.600 62.600 61.365 1.235 25449
8227 1 17 . 1 1 18 18 THR CB C 18 69.600 69.600 68.921 0.679 25449
8228 1 17 . 1 1 18 18 THR H H 18 8.740 8.740 7.684 1.056 25449
8229 1 17 . 1 1 19 19 ILE N N 19 123.300 123.300 119.156 4.144 25449
8230 1 17 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.542 -0.662 25449
8231 1 17 . 1 1 19 19 ILE C C 19 174.300 174.300 174.563 -0.263 25449
8232 1 17 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.598 1.302 25449
8233 1 17 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.425 -3.825 25449
8234 1 17 . 1 1 19 19 ILE H H 19 7.220 7.220 7.300 -0.080 25449
8235 1 17 . 1 1 20 20 ASP N N 20 125.600 125.600 122.671 2.929 25449
8236 1 17 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.800 -0.160 25449
8237 1 17 . 1 1 20 20 ASP C C 20 175.300 175.300 176.478 -1.178 25449
8238 1 17 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.895 -1.395 25449
8239 1 17 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.881 -0.881 25449
8240 1 17 . 1 1 20 20 ASP H H 20 7.790 7.790 7.895 -0.105 25449
8241 1 17 . 1 1 21 21 GLU N N 21 118.400 118.400 120.913 -2.513 25449
8242 1 17 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.930 -0.300 25449
8243 1 17 . 1 1 21 21 GLU C C 21 177.900 177.900 178.368 -0.468 25449
8244 1 17 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.007 0.893 25449
8245 1 17 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.731 -0.531 25449
8246 1 17 . 1 1 21 21 GLU H H 21 9.220 9.220 8.856 0.364 25449
8247 1 17 . 1 1 22 22 LYS N N 22 119.700 119.700 117.303 2.397 25449
8248 1 17 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.165 -0.105 25449
8249 1 17 . 1 1 22 22 LYS C C 22 178.500 178.500 178.750 -0.250 25449
8250 1 17 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.143 0.157 25449
8251 1 17 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.429 0.371 25449
8252 1 17 . 1 1 22 22 LYS H H 22 8.040 8.040 8.481 -0.441 25449
8253 1 17 . 1 1 23 23 SER N N 23 114.900 114.900 116.052 -1.152 25449
8254 1 17 . 1 1 23 23 SER HA H 23 4.300 4.300 4.304 -0.004 25449
8255 1 17 . 1 1 23 23 SER C C 23 177.600 177.600 176.786 0.814 25449
8256 1 17 . 1 1 23 23 SER CA C 23 61.800 61.800 61.006 0.794 25449
8257 1 17 . 1 1 23 23 SER CB C 23 62.900 62.900 62.774 0.126 25449
8258 1 17 . 1 1 23 23 SER H H 23 8.240 8.240 8.123 0.117 25449
8259 1 17 . 1 1 24 24 LEU N N 24 118.800 118.800 120.831 -2.031 25449
8260 1 17 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.262 -0.082 25449
8261 1 17 . 1 1 24 24 LEU C C 24 178.700 178.700 178.905 -0.205 25449
8262 1 17 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.682 0.618 25449
8263 1 17 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.744 0.356 25449
8264 1 17 . 1 1 24 24 LEU H H 24 7.750 7.750 7.569 0.181 25449
8265 1 17 . 1 1 25 25 TYR N N 25 123.200 123.200 120.379 2.821 25449
8266 1 17 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.102 -0.472 25449
8267 1 17 . 1 1 25 25 TYR C C 25 178.600 178.600 177.243 1.357 25449
8268 1 17 . 1 1 25 25 TYR CA C 25 63.200 63.200 60.515 2.685 25449
8269 1 17 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.667 -0.467 25449
8270 1 17 . 1 1 25 25 TYR H H 25 8.970 8.970 7.353 1.617 25449
8271 1 17 . 1 1 26 26 ASP N N 26 119.800 119.800 118.316 1.484 25449
8272 1 17 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.539 -0.269 25449
8273 1 17 . 1 1 26 26 ASP C C 26 177.900 177.900 178.136 -0.236 25449
8274 1 17 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.398 0.302 25449
8275 1 17 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.160 -1.160 25449
8276 1 17 . 1 1 26 26 ASP H H 26 8.510 8.510 7.747 0.763 25449
8277 1 17 . 1 1 27 27 ILE N N 27 114.700 114.700 119.012 -4.312 25449
8278 1 17 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.934 0.026 25449
8279 1 17 . 1 1 27 27 ILE C C 27 177.700 177.700 177.879 -0.179 25449
8280 1 17 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.934 -1.635 25449
8281 1 17 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.454 0.546 25449
8282 1 17 . 1 1 27 27 ILE H H 27 7.320 7.320 7.600 -0.280 25449
8283 1 17 . 1 1 28 28 PHE N N 28 116.900 116.900 117.037 -0.137 25449
8284 1 17 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.535 -0.165 25449
8285 1 17 . 1 1 28 28 PHE C C 28 179.900 179.900 177.036 2.864 25449
8286 1 17 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.420 2.880 25449
8287 1 17 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.505 -1.205 25449
8288 1 17 . 1 1 28 28 PHE H H 28 8.650 8.650 8.233 0.417 25449
8289 1 17 . 1 1 29 29 SER N N 29 120.100 120.100 112.478 7.622 25449
8290 1 17 . 1 1 29 29 SER HA H 29 4.410 4.410 4.761 -0.351 25449
8291 1 17 . 1 1 29 29 SER C C 29 175.600 175.600 175.521 0.079 25449
8292 1 17 . 1 1 29 29 SER CA C 29 61.300 61.300 59.296 2.004 25449
8293 1 17 . 1 1 29 29 SER CB C 29 62.200 62.200 63.243 -1.043 25449
8294 1 17 . 1 1 29 29 SER H H 29 8.880 8.880 7.770 1.110 25449
8295 1 17 . 1 1 30 30 SER N N 30 116.200 116.200 117.995 -1.795 25449
8296 1 17 . 1 1 30 30 SER HA H 30 3.940 3.940 4.265 -0.325 25449
8297 1 17 . 1 1 30 30 SER C C 30 174.900 174.900 175.716 -0.816 25449
8298 1 17 . 1 1 30 30 SER CA C 30 60.400 60.400 60.877 -0.477 25449
8299 1 17 . 1 1 30 30 SER CB C 30 62.400 62.400 63.173 -0.773 25449
8300 1 17 . 1 1 30 30 SER H H 30 7.270 7.270 7.770 -0.500 25449
8301 1 17 . 1 1 31 31 PHE N N 31 115.600 115.600 121.602 -6.002 25449
8302 1 17 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.560 -0.280 25449
8303 1 17 . 1 1 31 31 PHE C C 31 174.100 174.100 176.075 -1.975 25449
8304 1 17 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.170 -0.270 25449
8305 1 17 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.027 -0.727 25449
8306 1 17 . 1 1 31 31 PHE H H 31 6.980 6.980 8.072 -1.093 25449
8307 1 17 . 1 1 32 32 GLY N N 32 104.900 104.900 107.438 -2.538 25449
8308 1 17 . 1 1 32 32 GLY C C 32 171.600 171.600 172.780 -1.180 25449
8309 1 17 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.494 -0.194 25449
8310 1 17 . 1 1 32 32 GLY H H 32 7.300 7.300 7.617 -0.317 25449
8311 1 17 . 1 1 33 33 ASP N N 33 116.100 116.100 127.063 -10.963 25449
8312 1 17 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.570 -0.060 25449
8313 1 17 . 1 1 33 33 ASP C C 33 176.800 176.800 174.672 2.128 25449
8314 1 17 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.445 -0.045 25449
8315 1 17 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.188 -1.588 25449
8316 1 17 . 1 1 33 33 ASP H H 33 8.120 8.120 8.463 -0.343 25449
8317 1 17 . 1 1 34 34 ILE N N 34 126.400 126.400 118.445 7.955 25449
8318 1 17 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.182 -0.332 25449
8319 1 17 . 1 1 34 34 ILE C C 34 176.200 176.200 176.033 0.167 25449
8320 1 17 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.178 2.022 25449
8321 1 17 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.516 0.384 25449
8322 1 17 . 1 1 34 34 ILE H H 34 8.670 8.670 8.242 0.428 25449
8323 1 17 . 1 1 35 35 ARG N N 35 128.900 128.900 124.237 4.663 25449
8324 1 17 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.199 -0.039 25449
8325 1 17 . 1 1 35 35 ARG C C 35 175.600 175.600 176.294 -0.694 25449
8326 1 17 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.319 -0.819 25449
8327 1 17 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.206 0.494 25449
8328 1 17 . 1 1 35 35 ARG H H 35 9.320 9.320 8.424 0.896 25449
8329 1 17 . 1 1 36 36 ASN N N 36 114.300 114.300 114.556 -0.256 25449
8330 1 17 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.749 -0.039 25449
8331 1 17 . 1 1 36 36 ASN C C 36 172.000 172.000 172.849 -0.849 25449
8332 1 17 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.287 0.213 25449
8333 1 17 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.451 2.149 25449
8334 1 17 . 1 1 36 36 ASN H H 36 7.620 7.620 8.139 -0.519 25449
8335 1 17 . 1 1 37 37 ILE N N 37 122.700 122.700 122.746 -0.046 25449
8336 1 17 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.430 0.340 25449
8337 1 17 . 1 1 37 37 ILE C C 37 173.300 173.300 174.539 -1.239 25449
8338 1 17 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.169 -0.570 25449
8339 1 17 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.729 0.471 25449
8340 1 17 . 1 1 37 37 ILE H H 37 8.030 8.030 8.466 -0.436 25449
8341 1 17 . 1 1 38 38 GLU N N 38 126.700 126.700 128.907 -2.207 25449
8342 1 17 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.622 0.038 25449
8343 1 17 . 1 1 38 38 GLU C C 38 174.800 174.800 174.127 0.673 25449
8344 1 17 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.323 -0.923 25449
8345 1 17 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.043 2.357 25449
8346 1 17 . 1 1 38 38 GLU H H 38 8.870 8.870 8.605 0.265 25449
8347 1 17 . 1 1 39 39 VAL N N 39 126.400 126.400 127.148 -0.748 25449
8348 1 17 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.971 -0.271 25449
8349 1 17 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.177 -0.577 25449
8350 1 17 . 1 1 39 39 VAL H H 39 8.970 8.970 8.378 0.592 25449
8351 1 17 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.354 -0.124 25449
8352 1 17 . 1 1 40 40 PRO C C 40 176.300 176.300 175.266 1.034 25449
8353 1 17 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.653 0.647 25449
8354 1 17 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.227 0.272 25449
8355 1 17 . 1 1 41 41 LEU N N 41 120.700 120.700 122.769 -2.069 25449
8356 1 17 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.444 0.076 25449
8357 1 17 . 1 1 41 41 LEU C C 41 177.900 177.900 175.523 2.377 25449
8358 1 17 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.499 -0.399 25449
8359 1 17 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.391 -1.091 25449
8360 1 17 . 1 1 41 41 LEU H H 41 8.520 8.520 8.103 0.417 25449
8361 1 17 . 1 1 42 42 ASN N N 42 121.400 121.400 122.243 -0.843 25449
8362 1 17 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.922 -0.362 25449
8363 1 17 . 1 1 42 42 ASN C C 42 176.700 176.700 176.373 0.327 25449
8364 1 17 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.393 0.507 25449
8365 1 17 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.066 -1.066 25449
8366 1 17 . 1 1 42 42 ASN H H 42 8.740 8.740 8.257 0.483 25449
8367 1 17 . 1 1 43 43 MET N N 43 125.500 125.500 123.810 1.690 25449
8368 1 17 . 1 1 43 43 MET HA H 43 4.210 4.210 4.367 -0.157 25449
8369 1 17 . 1 1 43 43 MET C C 43 177.200 177.200 176.186 1.014 25449
8370 1 17 . 1 1 43 43 MET CA C 43 57.100 57.100 57.401 -0.301 25449
8371 1 17 . 1 1 43 43 MET CB C 43 31.600 31.600 32.374 -0.774 25449
8372 1 17 . 1 1 43 43 MET H H 43 9.080 9.080 8.872 0.208 25449
8373 1 17 . 1 1 44 44 THR N N 44 114.400 114.400 113.045 1.355 25449
8374 1 17 . 1 1 44 44 THR HA H 44 4.160 4.160 4.301 -0.141 25449
8375 1 17 . 1 1 44 44 THR C C 44 175.900 175.900 175.494 0.406 25449
8376 1 17 . 1 1 44 44 THR CA C 44 65.200 65.200 64.673 0.527 25449
8377 1 17 . 1 1 44 44 THR CB C 44 68.700 68.700 69.074 -0.374 25449
8378 1 17 . 1 1 44 44 THR H H 44 8.590 8.590 7.907 0.683 25449
8379 1 17 . 1 1 45 45 THR N N 45 110.300 110.300 115.039 -4.739 25449
8380 1 17 . 1 1 45 45 THR HA H 45 4.160 4.160 4.423 -0.263 25449
8381 1 17 . 1 1 45 45 THR C C 45 175.500 175.500 172.844 2.656 25449
8382 1 17 . 1 1 45 45 THR CA C 45 62.000 62.000 61.340 0.659 25449
8383 1 17 . 1 1 45 45 THR CB C 45 70.000 70.000 70.013 -0.013 25449
8384 1 17 . 1 1 45 45 THR H H 45 7.610 7.610 7.756 -0.146 25449
8385 1 17 . 1 1 46 46 LYS N N 46 115.700 115.700 121.278 -5.578 25449
8386 1 17 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.920 -0.200 25449
8387 1 17 . 1 1 46 46 LYS C C 46 174.600 174.600 173.835 0.765 25449
8388 1 17 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.346 0.254 25449
8389 1 17 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.757 -2.857 25449
8390 1 17 . 1 1 46 46 LYS H H 46 8.460 8.460 8.033 0.427 25449
8391 1 17 . 1 1 47 47 LYS N N 47 117.100 117.100 120.154 -3.054 25449
8392 1 17 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.521 0.159 25449
8393 1 17 . 1 1 47 47 LYS C C 47 176.300 176.300 175.964 0.336 25449
8394 1 17 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.684 -0.684 25449
8395 1 17 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.018 1.082 25449
8396 1 17 . 1 1 47 47 LYS H H 47 7.610 7.610 7.877 -0.267 25449
8397 1 17 . 1 1 48 48 ASN N N 48 117.700 117.700 120.379 -2.679 25449
8398 1 17 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.855 -0.155 25449
8399 1 17 . 1 1 48 48 ASN C C 48 174.000 174.000 175.429 -1.429 25449
8400 1 17 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.564 1.036 25449
8401 1 17 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.349 -1.649 25449
8402 1 17 . 1 1 48 48 ASN H H 48 8.740 8.740 8.810 -0.070 25449
8403 1 17 . 1 1 49 49 ARG N N 49 116.800 116.800 117.456 -0.656 25449
8404 1 17 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.060 0.290 25449
8405 1 17 . 1 1 49 49 ARG C C 49 177.500 177.500 176.446 1.054 25449
8406 1 17 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.543 -0.943 25449
8407 1 17 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.139 4.462 25449
8408 1 17 . 1 1 49 49 ARG H H 49 8.530 8.530 8.373 0.157 25449
8409 1 17 . 1 1 50 50 GLY N N 50 108.300 108.300 105.686 2.614 25449
8410 1 17 . 1 1 50 50 GLY C C 50 173.500 173.500 173.523 -0.023 25449
8411 1 17 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.301 0.499 25449
8412 1 17 . 1 1 50 50 GLY H H 50 8.900 8.900 8.830 0.070 25449
8413 1 17 . 1 1 51 51 PHE N N 51 113.900 113.900 116.593 -2.693 25449
8414 1 17 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.730 0.740 25449
8415 1 17 . 1 1 51 51 PHE C C 51 172.000 172.000 172.108 -0.108 25449
8416 1 17 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.868 -0.868 25449
8417 1 17 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.520 2.180 25449
8418 1 17 . 1 1 51 51 PHE H H 51 6.910 6.910 7.312 -0.402 25449
8419 1 17 . 1 1 52 52 ALA N N 52 120.500 120.500 125.129 -4.629 25449
8420 1 17 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.025 0.605 25449
8421 1 17 . 1 1 52 52 ALA C C 52 173.900 173.900 174.529 -0.629 25449
8422 1 17 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.937 -0.737 25449
8423 1 17 . 1 1 52 52 ALA CB C 52 25.100 25.100 21.791 3.309 25449
8424 1 17 . 1 1 52 52 ALA H H 52 8.810 8.810 7.622 1.188 25449
8425 1 17 . 1 1 53 53 PHE N N 53 115.000 115.000 119.648 -4.648 25449
8426 1 17 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.806 0.854 25449
8427 1 17 . 1 1 53 53 PHE C C 53 175.600 175.600 174.709 0.891 25449
8428 1 17 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.029 0.171 25449
8429 1 17 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.604 0.796 25449
8430 1 17 . 1 1 53 53 PHE H H 53 8.730 8.730 7.743 0.987 25449
8431 1 17 . 1 1 54 54 VAL N N 54 122.300 122.300 121.228 1.072 25449
8432 1 17 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.313 -0.213 25449
8433 1 17 . 1 1 54 54 VAL C C 54 173.000 173.000 174.116 -1.116 25449
8434 1 17 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.693 0.007 25449
8435 1 17 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.927 0.473 25449
8436 1 17 . 1 1 54 54 VAL H H 54 9.060 9.060 8.454 0.606 25449
8437 1 17 . 1 1 55 55 GLU N N 55 127.300 127.300 127.620 -0.320 25449
8438 1 17 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.928 0.232 25449
8439 1 17 . 1 1 55 55 GLU C C 55 175.900 175.900 175.839 0.061 25449
8440 1 17 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.082 -1.082 25449
8441 1 17 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.886 -0.185 25449
8442 1 17 . 1 1 55 55 GLU H H 55 8.860 8.860 8.332 0.528 25449
8443 1 17 . 1 1 56 56 TYR N N 56 127.500 127.500 124.325 3.175 25449
8444 1 17 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.374 0.146 25449
8445 1 17 . 1 1 56 56 TYR C C 56 175.000 175.000 176.098 -1.098 25449
8446 1 17 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.994 0.706 25449
8447 1 17 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.268 0.932 25449
8448 1 17 . 1 1 56 56 TYR H H 56 9.470 9.470 8.957 0.513 25449
8449 1 17 . 1 1 57 57 VAL N N 57 119.200 119.200 119.595 -0.395 25449
8450 1 17 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.894 -0.324 25449
8451 1 17 . 1 1 57 57 VAL C C 57 177.000 177.000 176.402 0.598 25449
8452 1 17 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.482 0.818 25449
8453 1 17 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.219 -0.219 25449
8454 1 17 . 1 1 57 57 VAL H H 57 7.800 7.800 7.833 -0.033 25449
8455 1 17 . 1 1 58 58 GLU N N 58 118.500 118.500 116.326 2.174 25449
8456 1 17 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.652 0.128 25449
8457 1 17 . 1 1 58 58 GLU C C 58 177.500 177.500 177.518 -0.018 25449
8458 1 17 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.415 -1.615 25449
8459 1 17 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.498 -0.998 25449
8460 1 17 . 1 1 58 58 GLU H H 58 9.530 9.530 8.188 1.342 25449
8461 1 17 . 1 1 59 59 VAL N N 59 125.200 125.200 120.818 4.382 25449
8462 1 17 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.993 -0.463 25449
8463 1 17 . 1 1 59 59 VAL C C 59 177.600 177.600 177.004 0.596 25449
8464 1 17 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.134 0.966 25449
8465 1 17 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.473 -0.773 25449
8466 1 17 . 1 1 59 59 VAL H H 59 8.650 8.650 8.538 0.112 25449
8467 1 17 . 1 1 60 60 ASP N N 60 118.500 118.500 121.446 -2.946 25449
8468 1 17 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.338 -0.118 25449
8469 1 17 . 1 1 60 60 ASP C C 60 178.300 178.300 177.714 0.586 25449
8470 1 17 . 1 1 60 60 ASP CA C 60 57.600 57.600 58.430 -0.830 25449
8471 1 17 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.077 0.423 25449
8472 1 17 . 1 1 60 60 ASP H H 60 8.970 8.970 8.532 0.438 25449
8473 1 17 . 1 1 61 61 ASP N N 61 119.900 119.900 119.390 0.510 25449
8474 1 17 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.450 -0.090 25449
8475 1 17 . 1 1 61 61 ASP C C 61 176.800 176.800 177.982 -1.182 25449
8476 1 17 . 1 1 61 61 ASP CA C 61 56.900 56.900 56.624 0.276 25449
8477 1 17 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.504 -0.704 25449
8478 1 17 . 1 1 61 61 ASP H H 61 6.920 6.920 8.534 -1.614 25449
8479 1 17 . 1 1 62 62 ALA N N 62 122.700 122.700 122.697 0.003 25449
8480 1 17 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.497 -0.117 25449
8481 1 17 . 1 1 62 62 ALA C C 62 171.600 171.600 179.432 -7.832 25449
8482 1 17 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.025 0.075 25449
8483 1 17 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.238 -0.038 25449
8484 1 17 . 1 1 62 62 ALA H H 62 6.910 6.910 7.670 -0.760 25449
8485 1 17 . 1 1 63 63 LYS N N 63 116.200 116.200 118.201 -2.001 25449
8486 1 17 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.914 0.276 25449
8487 1 17 . 1 1 63 63 LYS C C 63 179.200 179.200 179.162 0.038 25449
8488 1 17 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.349 -0.049 25449
8489 1 17 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.871 0.729 25449
8490 1 17 . 1 1 63 63 LYS H H 63 8.020 8.020 7.692 0.328 25449
8491 1 17 . 1 1 64 64 HIS N N 64 117.400 117.400 117.647 -0.247 25449
8492 1 17 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.356 -0.046 25449
8493 1 17 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.327 -0.327 25449
8494 1 17 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.744 -0.643 25449
8495 1 17 . 1 1 64 64 HIS H H 64 7.460 7.460 7.443 0.017 25449
8496 1 17 . 1 1 65 65 ALA N N 65 123.700 123.700 122.188 1.512 25449
8497 1 17 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.868 -1.698 25449
8498 1 17 . 1 1 65 65 ALA C C 65 178.700 178.700 178.678 0.022 25449
8499 1 17 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.827 -0.027 25449
8500 1 17 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.739 0.661 25449
8501 1 17 . 1 1 65 65 ALA H H 65 8.190 8.190 7.425 0.765 25449
8502 1 17 . 1 1 66 66 LEU N N 66 119.800 119.800 117.934 1.866 25449
8503 1 17 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.109 -0.679 25449
8504 1 17 . 1 1 66 66 LEU C C 66 178.700 178.700 178.973 -0.273 25449
8505 1 17 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.458 2.242 25449
8506 1 17 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.800 -0.700 25449
8507 1 17 . 1 1 66 66 LEU H H 66 8.340 8.340 7.470 0.870 25449
8508 1 17 . 1 1 67 67 TYR N N 67 116.200 116.200 120.219 -4.019 25449
8509 1 17 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.121 -0.111 25449
8510 1 17 . 1 1 67 67 TYR C C 67 177.700 177.700 177.698 0.002 25449
8511 1 17 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.307 -1.808 25449
8512 1 17 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.549 -0.449 25449
8513 1 17 . 1 1 67 67 TYR H H 67 7.760 7.760 7.798 -0.038 25449
8514 1 17 . 1 1 68 68 ASN N N 68 113.900 113.900 115.510 -1.610 25449
8515 1 17 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.617 -0.187 25449
8516 1 17 . 1 1 68 68 ASN C C 68 176.400 176.400 176.074 0.326 25449
8517 1 17 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.756 0.844 25449
8518 1 17 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.555 2.845 25449
8519 1 17 . 1 1 68 68 ASN H H 68 7.480 7.480 7.892 -0.412 25449
8520 1 17 . 1 1 69 69 MET N N 69 114.900 114.900 116.802 -1.902 25449
8521 1 17 . 1 1 69 69 MET HA H 69 4.760 4.760 4.561 0.199 25449
8522 1 17 . 1 1 69 69 MET C C 69 177.000 177.000 176.331 0.669 25449
8523 1 17 . 1 1 69 69 MET CA C 69 53.500 53.500 54.027 -0.527 25449
8524 1 17 . 1 1 69 69 MET CB C 69 31.100 31.100 32.531 -1.431 25449
8525 1 17 . 1 1 69 69 MET H H 69 8.310 8.310 7.403 0.907 25449
8526 1 17 . 1 1 70 70 ASN N N 70 117.700 117.700 117.951 -0.251 25449
8527 1 17 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.558 -0.188 25449
8528 1 17 . 1 1 70 70 ASN C C 70 176.400 176.400 175.578 0.822 25449
8529 1 17 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.962 0.139 25449
8530 1 17 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.238 -0.538 25449
8531 1 17 . 1 1 70 70 ASN H H 70 7.660 7.660 7.833 -0.173 25449
8532 1 17 . 1 1 71 71 ASN N N 71 121.500 121.500 115.610 5.890 25449
8533 1 17 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.691 -0.181 25449
8534 1 17 . 1 1 71 71 ASN C C 71 173.300 173.300 174.527 -1.227 25449
8535 1 17 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.830 2.970 25449
8536 1 17 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.606 -0.406 25449
8537 1 17 . 1 1 71 71 ASN H H 71 8.600 8.600 8.361 0.239 25449
8538 1 17 . 1 1 72 72 PHE N N 72 122.300 122.300 121.809 0.491 25449
8539 1 17 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.502 -0.312 25449
8540 1 17 . 1 1 72 72 PHE C C 72 174.100 174.100 173.948 0.152 25449
8541 1 17 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.272 1.428 25449
8542 1 17 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.017 1.283 25449
8543 1 17 . 1 1 72 72 PHE H H 72 7.870 7.870 7.596 0.274 25449
8544 1 17 . 1 1 73 73 GLU N N 73 126.100 126.100 127.265 -1.165 25449
8545 1 17 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.553 -0.323 25449
8546 1 17 . 1 1 73 73 GLU C C 73 173.000 173.000 174.292 -1.292 25449
8547 1 17 . 1 1 73 73 GLU CA C 73 55.600 55.600 53.853 1.747 25449
8548 1 17 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.493 -1.193 25449
8549 1 17 . 1 1 73 73 GLU H H 73 7.690 7.690 8.197 -0.507 25449
8550 1 17 . 1 1 74 74 LEU N N 74 128.900 128.900 123.282 5.618 25449
8551 1 17 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.310 0.210 25449
8552 1 17 . 1 1 74 74 LEU C C 74 175.500 175.500 175.673 -0.173 25449
8553 1 17 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.629 -1.329 25449
8554 1 17 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.694 0.906 25449
8555 1 17 . 1 1 74 74 LEU H H 74 8.620 8.620 7.863 0.757 25449
8556 1 17 . 1 1 75 75 ASN N N 75 126.800 126.800 121.266 5.534 25449
8557 1 17 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.489 -0.279 25449
8558 1 17 . 1 1 75 75 ASN C C 75 175.600 175.600 175.540 0.060 25449
8559 1 17 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.467 0.433 25449
8560 1 17 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.674 -0.774 25449
8561 1 17 . 1 1 75 75 ASN H H 75 9.520 9.520 8.712 0.808 25449
8562 1 17 . 1 1 76 76 GLY N N 76 102.300 102.300 105.227 -2.927 25449
8563 1 17 . 1 1 76 76 GLY C C 76 173.600 173.600 173.374 0.226 25449
8564 1 17 . 1 1 76 76 GLY CA C 76 45.300 45.300 44.959 0.341 25449
8565 1 17 . 1 1 76 76 GLY H H 76 8.500 8.500 8.196 0.304 25449
8566 1 17 . 1 1 77 77 LYS N N 77 120.800 120.800 119.321 1.479 25449
8567 1 17 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.455 0.115 25449
8568 1 17 . 1 1 77 77 LYS C C 77 175.100 175.100 174.740 0.360 25449
8569 1 17 . 1 1 77 77 LYS CA C 77 54.200 54.200 55.221 -1.021 25449
8570 1 17 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.521 -0.021 25449
8571 1 17 . 1 1 77 77 LYS H H 77 7.580 7.580 7.649 -0.069 25449
8572 1 17 . 1 1 78 78 ARG N N 78 123.300 123.300 125.058 -1.758 25449
8573 1 17 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.498 -0.018 25449
8574 1 17 . 1 1 78 78 ARG C C 78 176.600 176.600 175.577 1.023 25449
8575 1 17 . 1 1 78 78 ARG CA C 78 55.300 55.300 54.787 0.513 25449
8576 1 17 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.824 -0.524 25449
8577 1 17 . 1 1 78 78 ARG H H 78 8.580 8.580 8.440 0.140 25449
8578 1 17 . 1 1 79 79 ILE N N 79 120.100 120.100 123.225 -3.125 25449
8579 1 17 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.374 0.326 25449
8580 1 17 . 1 1 79 79 ILE C C 79 175.200 175.200 174.832 0.368 25449
8581 1 17 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.216 -0.216 25449
8582 1 17 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.583 -0.183 25449
8583 1 17 . 1 1 79 79 ILE H H 79 8.450 8.450 8.525 -0.075 25449
8584 1 17 . 1 1 80 80 HIS N N 80 119.900 119.900 124.306 -4.406 25449
8585 1 17 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.789 0.401 25449
8586 1 17 . 1 1 80 80 HIS C C 80 173.600 173.600 174.139 -0.539 25449
8587 1 17 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.282 -1.482 25449
8588 1 17 . 1 1 80 80 HIS CB C 80 31.300 31.300 31.299 0.001 25449
8589 1 17 . 1 1 80 80 HIS H H 80 8.580 8.580 7.976 0.604 25449
8590 1 17 . 1 1 81 81 VAL N N 81 123.800 123.800 124.465 -0.665 25449
8591 1 17 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.943 0.337 25449
8592 1 17 . 1 1 81 81 VAL C C 81 173.600 173.600 174.918 -1.318 25449
8593 1 17 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.161 -0.961 25449
8594 1 17 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.559 1.441 25449
8595 1 17 . 1 1 81 81 VAL H H 81 8.650 8.650 8.526 0.124 25449
8596 1 17 . 1 1 82 82 ASN N N 82 121.100 121.100 122.699 -1.599 25449
8597 1 17 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.219 -0.469 25449
8598 1 17 . 1 1 82 82 ASN C C 82 174.000 174.000 173.493 0.507 25449
8599 1 17 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.852 0.048 25449
8600 1 17 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.160 0.741 25449
8601 1 17 . 1 1 82 82 ASN H H 82 8.890 8.890 8.254 0.636 25449
8602 1 17 . 1 1 83 83 TYR N N 83 120.400 120.400 119.885 0.515 25449
8603 1 17 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.737 0.063 25449
8604 1 17 . 1 1 83 83 TYR C C 83 177.100 177.100 175.118 1.982 25449
8605 1 17 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.332 1.068 25449
8606 1 17 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.944 -1.244 25449
8607 1 17 . 1 1 83 83 TYR H H 83 8.480 8.480 8.600 -0.120 25449
8608 1 17 . 1 1 84 84 SER N N 84 118.000 118.000 118.062 -0.062 25449
8609 1 17 . 1 1 84 84 SER HA H 84 4.520 4.520 4.475 0.045 25449
8610 1 17 . 1 1 84 84 SER C C 84 174.100 174.100 172.032 2.068 25449
8611 1 17 . 1 1 84 84 SER CA C 84 57.700 57.700 56.688 1.012 25449
8612 1 17 . 1 1 84 84 SER CB C 84 64.300 64.300 66.343 -2.043 25449
8613 1 17 . 1 1 84 84 SER H H 84 9.040 9.040 7.539 1.501 25449
8614 1 17 . 1 1 85 85 LYS N N 85 125.300 125.300 120.009 5.291 25449
8615 1 17 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.332 0.108 25449
8616 1 17 . 1 1 85 85 LYS C C 85 175.600 175.600 175.412 0.188 25449
8617 1 17 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.364 0.936 25449
8618 1 17 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.260 0.440 25449
8619 1 17 . 1 1 85 85 LYS H H 85 8.410 8.410 8.196 0.214 25449
8620 1 18 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.200 -0.600 25449
8621 1 18 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.512 -0.102 25449
8622 1 18 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.625 -1.625 25449
8623 1 18 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.397 -0.197 25449
8624 1 18 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.549 -0.649 25449
8625 1 18 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.376 0.294 25449
8626 1 18 . 1 1 0 0 HIS N N 0 121.200 121.200 121.385 -0.185 25449
8627 1 18 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.824 -0.234 25449
8628 1 18 . 1 1 0 0 HIS C C 0 174.800 174.800 174.300 0.500 25449
8629 1 18 . 1 1 0 0 HIS CA C 0 56.100 56.100 55.703 0.397 25449
8630 1 18 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.785 0.115 25449
8631 1 18 . 1 1 0 0 HIS H H 0 8.730 8.730 8.382 0.348 25449
8632 1 18 . 1 1 1 1 MET N N 1 121.800 121.800 124.098 -2.298 25449
8633 1 18 . 1 1 1 1 MET HA H 1 4.370 4.370 4.520 -0.150 25449
8634 1 18 . 1 1 1 1 MET C C 1 176.300 176.300 175.980 0.320 25449
8635 1 18 . 1 1 1 1 MET CA C 1 55.700 55.700 54.364 1.336 25449
8636 1 18 . 1 1 1 1 MET CB C 1 32.800 32.800 33.322 -0.522 25449
8637 1 18 . 1 1 1 1 MET H H 1 8.450 8.450 8.662 -0.212 25449
8638 1 18 . 1 1 2 2 SER N N 2 116.700 116.700 115.767 0.933 25449
8639 1 18 . 1 1 2 2 SER HA H 2 4.370 4.370 4.687 -0.317 25449
8640 1 18 . 1 1 2 2 SER C C 2 174.200 174.200 173.577 0.623 25449
8641 1 18 . 1 1 2 2 SER CA C 2 58.400 58.400 58.180 0.220 25449
8642 1 18 . 1 1 2 2 SER CB C 2 63.800 63.800 63.847 -0.047 25449
8643 1 18 . 1 1 2 2 SER H H 2 8.410 8.410 8.294 0.116 25449
8644 1 18 . 1 1 3 3 ASP N N 3 122.100 122.100 122.753 -0.653 25449
8645 1 18 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.680 -0.130 25449
8646 1 18 . 1 1 3 3 ASP C C 3 176.100 176.100 175.622 0.478 25449
8647 1 18 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.428 0.072 25449
8648 1 18 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.564 -0.364 25449
8649 1 18 . 1 1 3 3 ASP H H 3 8.340 8.340 8.738 -0.398 25449
8650 1 18 . 1 1 4 4 ASN N N 4 119.100 119.100 117.478 1.622 25449
8651 1 18 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.648 -0.068 25449
8652 1 18 . 1 1 4 4 ASN C C 4 174.900 174.900 173.359 1.541 25449
8653 1 18 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.542 1.158 25449
8654 1 18 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.540 -0.640 25449
8655 1 18 . 1 1 4 4 ASN H H 4 8.420 8.420 7.784 0.636 25449
8656 1 18 . 1 1 5 5 ASN N N 5 118.400 118.400 118.142 0.258 25449
8657 1 18 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.686 -0.146 25449
8658 1 18 . 1 1 5 5 ASN C C 5 173.900 173.900 174.668 -0.768 25449
8659 1 18 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.838 0.362 25449
8660 1 18 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.395 0.305 25449
8661 1 18 . 1 1 5 5 ASN H H 5 8.340 8.340 8.568 -0.228 25449
8662 1 18 . 1 1 6 6 ALA N N 6 122.100 122.100 120.296 1.804 25449
8663 1 18 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.759 -1.019 25449
8664 1 18 . 1 1 6 6 ALA C C 6 177.000 177.000 176.251 0.749 25449
8665 1 18 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.762 -0.462 25449
8666 1 18 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.387 1.613 25449
8667 1 18 . 1 1 6 6 ALA H H 6 7.590 7.590 7.452 0.138 25449
8668 1 18 . 1 1 7 7 THR N N 7 112.700 112.700 118.305 -5.605 25449
8669 1 18 . 1 1 7 7 THR HA H 7 4.390 4.390 4.421 -0.031 25449
8670 1 18 . 1 1 7 7 THR C C 7 171.700 171.700 175.440 -3.740 25449
8671 1 18 . 1 1 7 7 THR CA C 7 59.800 59.800 61.425 -1.625 25449
8672 1 18 . 1 1 7 7 THR CB C 7 70.600 70.600 70.057 0.543 25449
8673 1 18 . 1 1 7 7 THR H H 7 6.840 6.840 8.348 -1.508 25449
8674 1 18 . 1 1 8 8 ASP N N 8 114.600 114.600 123.597 -8.997 25449
8675 1 18 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.334 0.156 25449
8676 1 18 . 1 1 8 8 ASP C C 8 174.300 174.300 174.785 -0.485 25449
8677 1 18 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.789 -2.289 25449
8678 1 18 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.281 -0.481 25449
8679 1 18 . 1 1 8 8 ASP H H 8 8.170 8.170 8.728 -0.558 25449
8680 1 18 . 1 1 9 9 ILE N N 9 117.800 117.800 118.651 -0.851 25449
8681 1 18 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.931 -0.121 25449
8682 1 18 . 1 1 9 9 ILE C C 9 174.700 174.700 174.401 0.299 25449
8683 1 18 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.268 0.332 25449
8684 1 18 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.615 -0.315 25449
8685 1 18 . 1 1 9 9 ILE H H 9 7.890 7.890 7.426 0.465 25449
8686 1 18 . 1 1 10 10 LEU N N 10 125.300 125.300 126.725 -1.425 25449
8687 1 18 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.928 0.032 25449
8688 1 18 . 1 1 10 10 LEU C C 10 176.100 176.100 175.163 0.937 25449
8689 1 18 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.850 -0.950 25449
8690 1 18 . 1 1 10 10 LEU CB C 10 43.100 43.100 45.333 -2.233 25449
8691 1 18 . 1 1 10 10 LEU H H 10 9.370 9.370 8.183 1.187 25449
8692 1 18 . 1 1 11 11 PHE N N 11 124.300 124.300 127.058 -2.758 25449
8693 1 18 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.831 -0.161 25449
8694 1 18 . 1 1 11 11 PHE C C 11 173.400 173.400 174.005 -0.605 25449
8695 1 18 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.955 -0.955 25449
8696 1 18 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.809 -0.109 25449
8697 1 18 . 1 1 11 11 PHE H H 11 9.310 9.310 8.594 0.716 25449
8698 1 18 . 1 1 12 12 VAL N N 12 128.300 128.300 125.515 2.785 25449
8699 1 18 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.182 0.238 25449
8700 1 18 . 1 1 12 12 VAL C C 12 173.900 173.900 174.554 -0.654 25449
8701 1 18 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.141 0.059 25449
8702 1 18 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.335 -2.235 25449
8703 1 18 . 1 1 12 12 VAL H H 12 8.380 8.380 7.941 0.439 25449
8704 1 18 . 1 1 13 13 GLY N N 13 111.800 111.800 111.225 0.575 25449
8705 1 18 . 1 1 13 13 GLY C C 13 173.800 173.800 173.672 0.128 25449
8706 1 18 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.611 -0.211 25449
8707 1 18 . 1 1 13 13 GLY H H 13 9.150 9.150 8.423 0.727 25449
8708 1 18 . 1 1 14 14 GLY N N 14 107.600 107.600 107.191 0.409 25449
8709 1 18 . 1 1 14 14 GLY C C 14 175.400 175.400 173.739 1.661 25449
8710 1 18 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.828 0.972 25449
8711 1 18 . 1 1 14 14 GLY H H 14 8.260 8.260 8.344 -0.084 25449
8712 1 18 . 1 1 15 15 ILE N N 15 111.100 111.100 122.647 -11.547 25449
8713 1 18 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.180 -0.140 25449
8714 1 18 . 1 1 15 15 ILE C C 15 175.500 175.500 175.184 0.316 25449
8715 1 18 . 1 1 15 15 ILE CA C 15 60.500 60.500 59.090 1.410 25449
8716 1 18 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.260 -1.760 25449
8717 1 18 . 1 1 15 15 ILE H H 15 6.930 6.930 8.128 -1.198 25449
8718 1 18 . 1 1 16 16 ASP N N 16 122.800 122.800 122.349 0.451 25449
8719 1 18 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.518 0.062 25449
8720 1 18 . 1 1 16 16 ASP C C 16 177.200 177.200 176.922 0.278 25449
8721 1 18 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.267 -0.567 25449
8722 1 18 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.778 -0.278 25449
8723 1 18 . 1 1 16 16 ASP H H 16 8.320 8.320 8.708 -0.388 25449
8724 1 18 . 1 1 17 17 GLU N N 17 119.600 119.600 121.369 -1.769 25449
8725 1 18 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.244 -0.104 25449
8726 1 18 . 1 1 17 17 GLU C C 17 176.800 176.800 176.555 0.245 25449
8727 1 18 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.640 0.960 25449
8728 1 18 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.233 0.567 25449
8729 1 18 . 1 1 17 17 GLU H H 17 8.830 8.830 8.739 0.091 25449
8730 1 18 . 1 1 18 18 THR N N 18 111.300 111.300 115.356 -4.056 25449
8731 1 18 . 1 1 18 18 THR HA H 18 4.250 4.250 4.505 -0.255 25449
8732 1 18 . 1 1 18 18 THR C C 18 175.200 175.200 174.541 0.659 25449
8733 1 18 . 1 1 18 18 THR CA C 18 62.600 62.600 61.064 1.536 25449
8734 1 18 . 1 1 18 18 THR CB C 18 69.600 69.600 68.944 0.656 25449
8735 1 18 . 1 1 18 18 THR H H 18 8.740 8.740 7.756 0.984 25449
8736 1 18 . 1 1 19 19 ILE N N 19 123.300 123.300 118.356 4.944 25449
8737 1 18 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.328 -0.448 25449
8738 1 18 . 1 1 19 19 ILE C C 19 174.300 174.300 174.559 -0.259 25449
8739 1 18 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.976 0.924 25449
8740 1 18 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.340 -2.740 25449
8741 1 18 . 1 1 19 19 ILE H H 19 7.220 7.220 7.520 -0.300 25449
8742 1 18 . 1 1 20 20 ASP N N 20 125.600 125.600 122.383 3.217 25449
8743 1 18 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.769 -0.129 25449
8744 1 18 . 1 1 20 20 ASP C C 20 175.300 175.300 176.444 -1.144 25449
8745 1 18 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.222 -1.722 25449
8746 1 18 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.130 -0.130 25449
8747 1 18 . 1 1 20 20 ASP H H 20 7.790 7.790 8.119 -0.329 25449
8748 1 18 . 1 1 21 21 GLU N N 21 118.400 118.400 122.005 -3.605 25449
8749 1 18 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.994 -0.364 25449
8750 1 18 . 1 1 21 21 GLU C C 21 177.900 177.900 178.068 -0.168 25449
8751 1 18 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.091 0.809 25449
8752 1 18 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.799 -0.599 25449
8753 1 18 . 1 1 21 21 GLU H H 21 9.220 9.220 8.956 0.264 25449
8754 1 18 . 1 1 22 22 LYS N N 22 119.700 119.700 118.016 1.684 25449
8755 1 18 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.217 -0.157 25449
8756 1 18 . 1 1 22 22 LYS C C 22 178.500 178.500 178.820 -0.320 25449
8757 1 18 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.480 0.820 25449
8758 1 18 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.612 0.188 25449
8759 1 18 . 1 1 22 22 LYS H H 22 8.040 8.040 8.384 -0.344 25449
8760 1 18 . 1 1 23 23 SER N N 23 114.900 114.900 117.125 -2.225 25449
8761 1 18 . 1 1 23 23 SER HA H 23 4.300 4.300 4.252 0.048 25449
8762 1 18 . 1 1 23 23 SER C C 23 177.600 177.600 176.093 1.507 25449
8763 1 18 . 1 1 23 23 SER CA C 23 61.800 61.800 61.699 0.101 25449
8764 1 18 . 1 1 23 23 SER CB C 23 62.900 62.900 62.636 0.264 25449
8765 1 18 . 1 1 23 23 SER H H 23 8.240 8.240 8.071 0.169 25449
8766 1 18 . 1 1 24 24 LEU N N 24 118.800 118.800 120.933 -2.133 25449
8767 1 18 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.154 0.026 25449
8768 1 18 . 1 1 24 24 LEU C C 24 178.700 178.700 178.741 -0.041 25449
8769 1 18 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.887 0.413 25449
8770 1 18 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.476 0.624 25449
8771 1 18 . 1 1 24 24 LEU H H 24 7.750 7.750 7.413 0.337 25449
8772 1 18 . 1 1 25 25 TYR N N 25 123.200 123.200 120.407 2.793 25449
8773 1 18 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.031 -0.401 25449
8774 1 18 . 1 1 25 25 TYR C C 25 178.600 178.600 177.233 1.367 25449
8775 1 18 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.855 1.345 25449
8776 1 18 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.541 -0.341 25449
8777 1 18 . 1 1 25 25 TYR H H 25 8.970 8.970 7.612 1.358 25449
8778 1 18 . 1 1 26 26 ASP N N 26 119.800 119.800 118.494 1.306 25449
8779 1 18 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.487 -0.217 25449
8780 1 18 . 1 1 26 26 ASP C C 26 177.900 177.900 178.452 -0.552 25449
8781 1 18 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.508 0.192 25449
8782 1 18 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.304 -1.304 25449
8783 1 18 . 1 1 26 26 ASP H H 26 8.510 8.510 7.760 0.750 25449
8784 1 18 . 1 1 27 27 ILE N N 27 114.700 114.700 118.325 -3.625 25449
8785 1 18 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.869 0.091 25449
8786 1 18 . 1 1 27 27 ILE C C 27 177.700 177.700 178.062 -0.362 25449
8787 1 18 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.656 -1.357 25449
8788 1 18 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.369 0.631 25449
8789 1 18 . 1 1 27 27 ILE H H 27 7.320 7.320 7.584 -0.264 25449
8790 1 18 . 1 1 28 28 PHE N N 28 116.900 116.900 115.824 1.076 25449
8791 1 18 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.474 -0.104 25449
8792 1 18 . 1 1 28 28 PHE C C 28 179.900 179.900 176.564 3.336 25449
8793 1 18 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.949 3.352 25449
8794 1 18 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.813 -1.513 25449
8795 1 18 . 1 1 28 28 PHE H H 28 8.650 8.650 8.100 0.550 25449
8796 1 18 . 1 1 29 29 SER N N 29 120.100 120.100 112.441 7.659 25449
8797 1 18 . 1 1 29 29 SER HA H 29 4.410 4.410 4.673 -0.263 25449
8798 1 18 . 1 1 29 29 SER C C 29 175.600 175.600 175.471 0.129 25449
8799 1 18 . 1 1 29 29 SER CA C 29 61.300 61.300 59.220 2.080 25449
8800 1 18 . 1 1 29 29 SER CB C 29 62.200 62.200 63.501 -1.301 25449
8801 1 18 . 1 1 29 29 SER H H 29 8.880 8.880 7.495 1.385 25449
8802 1 18 . 1 1 30 30 SER N N 30 116.200 116.200 117.475 -1.275 25449
8803 1 18 . 1 1 30 30 SER HA H 30 3.940 3.940 4.327 -0.387 25449
8804 1 18 . 1 1 30 30 SER C C 30 174.900 174.900 175.441 -0.541 25449
8805 1 18 . 1 1 30 30 SER CA C 30 60.400 60.400 60.738 -0.338 25449
8806 1 18 . 1 1 30 30 SER CB C 30 62.400 62.400 63.121 -0.721 25449
8807 1 18 . 1 1 30 30 SER H H 30 7.270 7.270 7.977 -0.707 25449
8808 1 18 . 1 1 31 31 PHE N N 31 115.600 115.600 121.878 -6.278 25449
8809 1 18 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.568 -0.288 25449
8810 1 18 . 1 1 31 31 PHE C C 31 174.100 174.100 176.382 -2.282 25449
8811 1 18 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.364 -0.464 25449
8812 1 18 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.306 -1.006 25449
8813 1 18 . 1 1 31 31 PHE H H 31 6.980 6.980 7.838 -0.858 25449
8814 1 18 . 1 1 32 32 GLY N N 32 104.900 104.900 107.230 -2.330 25449
8815 1 18 . 1 1 32 32 GLY C C 32 171.600 171.600 172.834 -1.234 25449
8816 1 18 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.569 -0.269 25449
8817 1 18 . 1 1 32 32 GLY H H 32 7.300 7.300 7.624 -0.324 25449
8818 1 18 . 1 1 33 33 ASP N N 33 116.100 116.100 125.765 -9.665 25449
8819 1 18 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.479 0.031 25449
8820 1 18 . 1 1 33 33 ASP C C 33 176.800 176.800 174.623 2.177 25449
8821 1 18 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.537 -0.137 25449
8822 1 18 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.407 -1.807 25449
8823 1 18 . 1 1 33 33 ASP H H 33 8.120 8.120 8.271 -0.151 25449
8824 1 18 . 1 1 34 34 ILE N N 34 126.400 126.400 119.047 7.353 25449
8825 1 18 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.083 -0.233 25449
8826 1 18 . 1 1 34 34 ILE C C 34 176.200 176.200 175.995 0.205 25449
8827 1 18 . 1 1 34 34 ILE CA C 34 60.200 60.200 57.966 2.234 25449
8828 1 18 . 1 1 34 34 ILE CB C 34 39.900 39.900 38.956 0.944 25449
8829 1 18 . 1 1 34 34 ILE H H 34 8.670 8.670 8.146 0.524 25449
8830 1 18 . 1 1 35 35 ARG N N 35 128.900 128.900 125.991 2.909 25449
8831 1 18 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.155 0.004 25449
8832 1 18 . 1 1 35 35 ARG C C 35 175.600 175.600 176.260 -0.660 25449
8833 1 18 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.539 -1.039 25449
8834 1 18 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.072 0.628 25449
8835 1 18 . 1 1 35 35 ARG H H 35 9.320 9.320 8.375 0.945 25449
8836 1 18 . 1 1 36 36 ASN N N 36 114.300 114.300 113.916 0.384 25449
8837 1 18 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.820 -0.110 25449
8838 1 18 . 1 1 36 36 ASN C C 36 172.000 172.000 172.882 -0.882 25449
8839 1 18 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.190 0.311 25449
8840 1 18 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.656 1.944 25449
8841 1 18 . 1 1 36 36 ASN H H 36 7.620 7.620 8.197 -0.577 25449
8842 1 18 . 1 1 37 37 ILE N N 37 122.700 122.700 122.456 0.244 25449
8843 1 18 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.441 0.329 25449
8844 1 18 . 1 1 37 37 ILE C C 37 173.300 173.300 174.517 -1.217 25449
8845 1 18 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.931 -0.331 25449
8846 1 18 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.313 0.887 25449
8847 1 18 . 1 1 37 37 ILE H H 37 8.030 8.030 8.500 -0.470 25449
8848 1 18 . 1 1 38 38 GLU N N 38 126.700 126.700 128.765 -2.065 25449
8849 1 18 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.681 -0.021 25449
8850 1 18 . 1 1 38 38 GLU C C 38 174.800 174.800 174.290 0.510 25449
8851 1 18 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.343 -0.943 25449
8852 1 18 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.148 2.252 25449
8853 1 18 . 1 1 38 38 GLU H H 38 8.870 8.870 8.583 0.287 25449
8854 1 18 . 1 1 39 39 VAL N N 39 126.400 126.400 127.166 -0.766 25449
8855 1 18 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.987 -0.287 25449
8856 1 18 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.965 -0.365 25449
8857 1 18 . 1 1 39 39 VAL H H 39 8.970 8.970 8.430 0.540 25449
8858 1 18 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.331 -0.101 25449
8859 1 18 . 1 1 40 40 PRO C C 40 176.300 176.300 175.234 1.066 25449
8860 1 18 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.022 0.278 25449
8861 1 18 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.187 0.313 25449
8862 1 18 . 1 1 41 41 LEU N N 41 120.700 120.700 123.468 -2.768 25449
8863 1 18 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.747 -0.227 25449
8864 1 18 . 1 1 41 41 LEU C C 41 177.900 177.900 175.801 2.099 25449
8865 1 18 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.547 -0.447 25449
8866 1 18 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.876 -1.576 25449
8867 1 18 . 1 1 41 41 LEU H H 41 8.520 8.520 8.121 0.399 25449
8868 1 18 . 1 1 42 42 ASN N N 42 121.400 121.400 122.646 -1.246 25449
8869 1 18 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.990 -0.430 25449
8870 1 18 . 1 1 42 42 ASN C C 42 176.700 176.700 176.118 0.582 25449
8871 1 18 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.205 0.695 25449
8872 1 18 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.814 -0.814 25449
8873 1 18 . 1 1 42 42 ASN H H 42 8.740 8.740 8.375 0.365 25449
8874 1 18 . 1 1 43 43 MET N N 43 125.500 125.500 124.807 0.693 25449
8875 1 18 . 1 1 43 43 MET HA H 43 4.210 4.210 4.266 -0.056 25449
8876 1 18 . 1 1 43 43 MET C C 43 177.200 177.200 175.847 1.353 25449
8877 1 18 . 1 1 43 43 MET CA C 43 57.100 57.100 57.052 0.048 25449
8878 1 18 . 1 1 43 43 MET CB C 43 31.600 31.600 32.117 -0.517 25449
8879 1 18 . 1 1 43 43 MET H H 43 9.080 9.080 8.935 0.145 25449
8880 1 18 . 1 1 44 44 THR N N 44 114.400 114.400 113.419 0.981 25449
8881 1 18 . 1 1 44 44 THR HA H 44 4.160 4.160 4.227 -0.067 25449
8882 1 18 . 1 1 44 44 THR C C 44 175.900 175.900 175.638 0.262 25449
8883 1 18 . 1 1 44 44 THR CA C 44 65.200 65.200 64.648 0.552 25449
8884 1 18 . 1 1 44 44 THR CB C 44 68.700 68.700 69.076 -0.376 25449
8885 1 18 . 1 1 44 44 THR H H 44 8.590 8.590 7.945 0.645 25449
8886 1 18 . 1 1 45 45 THR N N 45 110.300 110.300 115.198 -4.898 25449
8887 1 18 . 1 1 45 45 THR HA H 45 4.160 4.160 4.445 -0.285 25449
8888 1 18 . 1 1 45 45 THR C C 45 175.500 175.500 172.706 2.794 25449
8889 1 18 . 1 1 45 45 THR CA C 45 62.000 62.000 61.343 0.657 25449
8890 1 18 . 1 1 45 45 THR CB C 45 70.000 70.000 69.769 0.231 25449
8891 1 18 . 1 1 45 45 THR H H 45 7.610 7.610 7.770 -0.160 25449
8892 1 18 . 1 1 46 46 LYS N N 46 115.700 115.700 121.806 -6.106 25449
8893 1 18 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.908 -0.188 25449
8894 1 18 . 1 1 46 46 LYS C C 46 174.600 174.600 173.737 0.863 25449
8895 1 18 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.401 0.199 25449
8896 1 18 . 1 1 46 46 LYS CB C 46 28.900 28.900 31.586 -2.686 25449
8897 1 18 . 1 1 46 46 LYS H H 46 8.460 8.460 7.948 0.512 25449
8898 1 18 . 1 1 47 47 LYS N N 47 117.100 117.100 121.897 -4.797 25449
8899 1 18 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.584 0.096 25449
8900 1 18 . 1 1 47 47 LYS C C 47 176.300 176.300 176.771 -0.471 25449
8901 1 18 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.981 0.019 25449
8902 1 18 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.755 0.345 25449
8903 1 18 . 1 1 47 47 LYS H H 47 7.610 7.610 8.101 -0.491 25449
8904 1 18 . 1 1 48 48 ASN N N 48 117.700 117.700 120.785 -3.085 25449
8905 1 18 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.902 -0.202 25449
8906 1 18 . 1 1 48 48 ASN C C 48 174.000 174.000 175.576 -1.576 25449
8907 1 18 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.588 1.012 25449
8908 1 18 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.132 -1.432 25449
8909 1 18 . 1 1 48 48 ASN H H 48 8.740 8.740 8.796 -0.056 25449
8910 1 18 . 1 1 49 49 ARG N N 49 116.800 116.800 116.674 0.126 25449
8911 1 18 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.965 0.385 25449
8912 1 18 . 1 1 49 49 ARG C C 49 177.500 177.500 176.523 0.977 25449
8913 1 18 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.520 -0.920 25449
8914 1 18 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.090 4.510 25449
8915 1 18 . 1 1 49 49 ARG H H 49 8.530 8.530 8.398 0.132 25449
8916 1 18 . 1 1 50 50 GLY N N 50 108.300 108.300 106.373 1.927 25449
8917 1 18 . 1 1 50 50 GLY C C 50 173.500 173.500 173.190 0.310 25449
8918 1 18 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.480 0.320 25449
8919 1 18 . 1 1 50 50 GLY H H 50 8.900 8.900 8.759 0.141 25449
8920 1 18 . 1 1 51 51 PHE N N 51 113.900 113.900 116.086 -2.186 25449
8921 1 18 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.840 0.630 25449
8922 1 18 . 1 1 51 51 PHE C C 51 172.000 172.000 172.367 -0.367 25449
8923 1 18 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.756 -0.756 25449
8924 1 18 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.867 1.833 25449
8925 1 18 . 1 1 51 51 PHE H H 51 6.910 6.910 7.331 -0.421 25449
8926 1 18 . 1 1 52 52 ALA N N 52 120.500 120.500 125.115 -4.615 25449
8927 1 18 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.326 0.304 25449
8928 1 18 . 1 1 52 52 ALA C C 52 173.900 173.900 174.528 -0.628 25449
8929 1 18 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.555 -0.355 25449
8930 1 18 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.481 2.619 25449
8931 1 18 . 1 1 52 52 ALA H H 52 8.810 8.810 7.985 0.825 25449
8932 1 18 . 1 1 53 53 PHE N N 53 115.000 115.000 119.198 -4.198 25449
8933 1 18 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.935 0.725 25449
8934 1 18 . 1 1 53 53 PHE C C 53 175.600 175.600 175.201 0.399 25449
8935 1 18 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.514 0.686 25449
8936 1 18 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.515 0.885 25449
8937 1 18 . 1 1 53 53 PHE H H 53 8.730 8.730 7.999 0.731 25449
8938 1 18 . 1 1 54 54 VAL N N 54 122.300 122.300 121.566 0.734 25449
8939 1 18 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.257 -0.157 25449
8940 1 18 . 1 1 54 54 VAL C C 54 173.000 173.000 174.047 -1.047 25449
8941 1 18 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.573 0.127 25449
8942 1 18 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.839 -0.439 25449
8943 1 18 . 1 1 54 54 VAL H H 54 9.060 9.060 8.476 0.584 25449
8944 1 18 . 1 1 55 55 GLU N N 55 127.300 127.300 126.614 0.686 25449
8945 1 18 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.725 0.435 25449
8946 1 18 . 1 1 55 55 GLU C C 55 175.900 175.900 175.428 0.472 25449
8947 1 18 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.711 -0.711 25449
8948 1 18 . 1 1 55 55 GLU CB C 55 31.700 31.700 32.030 -0.330 25449
8949 1 18 . 1 1 55 55 GLU H H 55 8.860 8.860 8.335 0.525 25449
8950 1 18 . 1 1 56 56 TYR N N 56 127.500 127.500 122.488 5.012 25449
8951 1 18 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.508 0.012 25449
8952 1 18 . 1 1 56 56 TYR C C 56 175.000 175.000 176.232 -1.232 25449
8953 1 18 . 1 1 56 56 TYR CA C 56 59.700 59.700 59.007 0.693 25449
8954 1 18 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.908 -0.708 25449
8955 1 18 . 1 1 56 56 TYR H H 56 9.470 9.470 8.065 1.405 25449
8956 1 18 . 1 1 57 57 VAL N N 57 119.200 119.200 119.763 -0.563 25449
8957 1 18 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.992 -0.422 25449
8958 1 18 . 1 1 57 57 VAL C C 57 177.000 177.000 175.334 1.666 25449
8959 1 18 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.049 2.251 25449
8960 1 18 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.533 -0.533 25449
8961 1 18 . 1 1 57 57 VAL H H 57 7.800 7.800 8.022 -0.222 25449
8962 1 18 . 1 1 58 58 GLU N N 58 118.500 118.500 119.201 -0.701 25449
8963 1 18 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.605 0.175 25449
8964 1 18 . 1 1 58 58 GLU C C 58 177.500 177.500 176.522 0.978 25449
8965 1 18 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.155 -1.355 25449
8966 1 18 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.834 -0.334 25449
8967 1 18 . 1 1 58 58 GLU H H 58 9.530 9.530 8.073 1.457 25449
8968 1 18 . 1 1 59 59 VAL N N 59 125.200 125.200 124.124 1.076 25449
8969 1 18 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.821 -0.291 25449
8970 1 18 . 1 1 59 59 VAL C C 59 177.600 177.600 176.830 0.770 25449
8971 1 18 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.199 0.901 25449
8972 1 18 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.254 -0.554 25449
8973 1 18 . 1 1 59 59 VAL H H 59 8.650 8.650 8.748 -0.098 25449
8974 1 18 . 1 1 60 60 ASP N N 60 118.500 118.500 119.495 -0.995 25449
8975 1 18 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.491 -0.271 25449
8976 1 18 . 1 1 60 60 ASP C C 60 178.300 178.300 177.858 0.442 25449
8977 1 18 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.402 0.198 25449
8978 1 18 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.468 0.032 25449
8979 1 18 . 1 1 60 60 ASP H H 60 8.970 8.970 8.590 0.380 25449
8980 1 18 . 1 1 61 61 ASP N N 61 119.900 119.900 120.062 -0.162 25449
8981 1 18 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.438 -0.078 25449
8982 1 18 . 1 1 61 61 ASP C C 61 176.800 176.800 178.338 -1.538 25449
8983 1 18 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.349 -0.449 25449
8984 1 18 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.514 -0.714 25449
8985 1 18 . 1 1 61 61 ASP H H 61 6.920 6.920 8.534 -1.614 25449
8986 1 18 . 1 1 62 62 ALA N N 62 122.700 122.700 122.153 0.547 25449
8987 1 18 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.287 0.093 25449
8988 1 18 . 1 1 62 62 ALA C C 62 171.600 171.600 179.296 -7.696 25449
8989 1 18 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.809 0.291 25449
8990 1 18 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.305 -0.105 25449
8991 1 18 . 1 1 62 62 ALA H H 62 6.910 6.910 7.770 -0.860 25449
8992 1 18 . 1 1 63 63 LYS N N 63 116.200 116.200 118.212 -2.012 25449
8993 1 18 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.919 0.271 25449
8994 1 18 . 1 1 63 63 LYS C C 63 179.200 179.200 179.105 0.095 25449
8995 1 18 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.566 -0.266 25449
8996 1 18 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.091 0.509 25449
8997 1 18 . 1 1 63 63 LYS H H 63 8.020 8.020 7.654 0.366 25449
8998 1 18 . 1 1 64 64 HIS N N 64 117.400 117.400 117.159 0.241 25449
8999 1 18 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.342 -0.032 25449
9000 1 18 . 1 1 64 64 HIS CA C 64 58.000 58.000 59.207 -1.207 25449
9001 1 18 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.131 -1.031 25449
9002 1 18 . 1 1 64 64 HIS H H 64 7.460 7.460 7.525 -0.065 25449
9003 1 18 . 1 1 65 65 ALA N N 65 123.700 123.700 122.424 1.276 25449
9004 1 18 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.348 -2.178 25449
9005 1 18 . 1 1 65 65 ALA C C 65 178.700 178.700 179.542 -0.842 25449
9006 1 18 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.570 0.230 25449
9007 1 18 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.651 0.749 25449
9008 1 18 . 1 1 65 65 ALA H H 65 8.190 8.190 7.729 0.461 25449
9009 1 18 . 1 1 66 66 LEU N N 66 119.800 119.800 119.126 0.674 25449
9010 1 18 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.022 -0.592 25449
9011 1 18 . 1 1 66 66 LEU C C 66 178.700 178.700 178.133 0.567 25449
9012 1 18 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.759 1.941 25449
9013 1 18 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.389 -0.289 25449
9014 1 18 . 1 1 66 66 LEU H H 66 8.340 8.340 7.454 0.886 25449
9015 1 18 . 1 1 67 67 TYR N N 67 116.200 116.200 117.311 -1.111 25449
9016 1 18 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.069 -0.059 25449
9017 1 18 . 1 1 67 67 TYR C C 67 177.700 177.700 178.281 -0.581 25449
9018 1 18 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.757 -1.257 25449
9019 1 18 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.861 -0.761 25449
9020 1 18 . 1 1 67 67 TYR H H 67 7.760 7.760 7.545 0.215 25449
9021 1 18 . 1 1 68 68 ASN N N 68 113.900 113.900 117.771 -3.871 25449
9022 1 18 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.486 -0.056 25449
9023 1 18 . 1 1 68 68 ASN C C 68 176.400 176.400 176.446 -0.046 25449
9024 1 18 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.685 -0.085 25449
9025 1 18 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.367 3.033 25449
9026 1 18 . 1 1 68 68 ASN H H 68 7.480 7.480 7.776 -0.296 25449
9027 1 18 . 1 1 69 69 MET N N 69 114.900 114.900 116.966 -2.066 25449
9028 1 18 . 1 1 69 69 MET HA H 69 4.760 4.760 4.505 0.255 25449
9029 1 18 . 1 1 69 69 MET C C 69 177.000 177.000 176.601 0.399 25449
9030 1 18 . 1 1 69 69 MET CA C 69 53.500 53.500 53.925 -0.425 25449
9031 1 18 . 1 1 69 69 MET CB C 69 31.100 31.100 31.025 0.075 25449
9032 1 18 . 1 1 69 69 MET H H 69 8.310 8.310 7.922 0.388 25449
9033 1 18 . 1 1 70 70 ASN N N 70 117.700 117.700 118.894 -1.194 25449
9034 1 18 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.594 -0.224 25449
9035 1 18 . 1 1 70 70 ASN C C 70 176.400 176.400 175.412 0.988 25449
9036 1 18 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.371 0.729 25449
9037 1 18 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.244 0.456 25449
9038 1 18 . 1 1 70 70 ASN H H 70 7.660 7.660 7.708 -0.048 25449
9039 1 18 . 1 1 71 71 ASN N N 71 121.500 121.500 117.292 4.208 25449
9040 1 18 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.712 -0.202 25449
9041 1 18 . 1 1 71 71 ASN C C 71 173.300 173.300 174.260 -0.960 25449
9042 1 18 . 1 1 71 71 ASN CA C 71 55.800 55.800 52.581 3.220 25449
9043 1 18 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.290 -0.090 25449
9044 1 18 . 1 1 71 71 ASN H H 71 8.600 8.600 8.130 0.470 25449
9045 1 18 . 1 1 72 72 PHE N N 72 122.300 122.300 121.864 0.436 25449
9046 1 18 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.568 -0.378 25449
9047 1 18 . 1 1 72 72 PHE C C 72 174.100 174.100 173.831 0.269 25449
9048 1 18 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.085 1.615 25449
9049 1 18 . 1 1 72 72 PHE CB C 72 41.300 41.300 41.068 0.232 25449
9050 1 18 . 1 1 72 72 PHE H H 72 7.870 7.870 7.506 0.364 25449
9051 1 18 . 1 1 73 73 GLU N N 73 126.100 126.100 128.550 -2.450 25449
9052 1 18 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.614 -0.384 25449
9053 1 18 . 1 1 73 73 GLU C C 73 173.000 173.000 174.442 -1.442 25449
9054 1 18 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.520 1.080 25449
9055 1 18 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.782 -1.482 25449
9056 1 18 . 1 1 73 73 GLU H H 73 7.690 7.690 8.115 -0.425 25449
9057 1 18 . 1 1 74 74 LEU N N 74 128.900 128.900 126.536 2.364 25449
9058 1 18 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449
9059 1 18 . 1 1 74 74 LEU C C 74 175.500 175.500 176.303 -0.803 25449
9060 1 18 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.370 -1.070 25449
9061 1 18 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.777 1.823 25449
9062 1 18 . 1 1 74 74 LEU H H 74 8.620 8.620 8.007 0.613 25449
9063 1 18 . 1 1 75 75 ASN N N 75 126.800 126.800 121.694 5.106 25449
9064 1 18 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.456 -0.246 25449
9065 1 18 . 1 1 75 75 ASN C C 75 175.600 175.600 175.779 -0.179 25449
9066 1 18 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.778 0.122 25449
9067 1 18 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.778 0.122 25449
9068 1 18 . 1 1 75 75 ASN H H 75 9.520 9.520 9.096 0.424 25449
9069 1 18 . 1 1 76 76 GLY N N 76 102.300 102.300 101.683 0.617 25449
9070 1 18 . 1 1 76 76 GLY C C 76 173.600 173.600 173.571 0.029 25449
9071 1 18 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.545 -0.245 25449
9072 1 18 . 1 1 76 76 GLY H H 76 8.500 8.500 8.659 -0.159 25449
9073 1 18 . 1 1 77 77 LYS N N 77 120.800 120.800 118.164 2.636 25449
9074 1 18 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.451 0.119 25449
9075 1 18 . 1 1 77 77 LYS C C 77 175.100 175.100 174.294 0.806 25449
9076 1 18 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.670 -0.470 25449
9077 1 18 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.282 -0.782 25449
9078 1 18 . 1 1 77 77 LYS H H 77 7.580 7.580 7.240 0.340 25449
9079 1 18 . 1 1 78 78 ARG N N 78 123.300 123.300 124.419 -1.119 25449
9080 1 18 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.426 0.054 25449
9081 1 18 . 1 1 78 78 ARG C C 78 176.600 176.600 175.920 0.680 25449
9082 1 18 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.108 0.192 25449
9083 1 18 . 1 1 78 78 ARG CB C 78 30.300 30.300 31.115 -0.815 25449
9084 1 18 . 1 1 78 78 ARG H H 78 8.580 8.580 8.348 0.232 25449
9085 1 18 . 1 1 79 79 ILE N N 79 120.100 120.100 123.305 -3.205 25449
9086 1 18 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.348 0.352 25449
9087 1 18 . 1 1 79 79 ILE C C 79 175.200 175.200 175.050 0.150 25449
9088 1 18 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.251 -0.251 25449
9089 1 18 . 1 1 79 79 ILE CB C 79 39.400 39.400 38.941 0.459 25449
9090 1 18 . 1 1 79 79 ILE H H 79 8.450 8.450 8.301 0.149 25449
9091 1 18 . 1 1 80 80 HIS N N 80 119.900 119.900 125.146 -5.246 25449
9092 1 18 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.595 0.595 25449
9093 1 18 . 1 1 80 80 HIS C C 80 173.600 173.600 174.697 -1.097 25449
9094 1 18 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.671 -1.871 25449
9095 1 18 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.170 1.130 25449
9096 1 18 . 1 1 80 80 HIS H H 80 8.580 8.580 8.510 0.070 25449
9097 1 18 . 1 1 81 81 VAL N N 81 123.800 123.800 126.058 -2.258 25449
9098 1 18 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.348 0.932 25449
9099 1 18 . 1 1 81 81 VAL C C 81 173.600 173.600 174.942 -1.342 25449
9100 1 18 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.459 -1.259 25449
9101 1 18 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.381 2.619 25449
9102 1 18 . 1 1 81 81 VAL H H 81 8.650 8.650 8.367 0.283 25449
9103 1 18 . 1 1 82 82 ASN N N 82 121.100 121.100 123.398 -2.298 25449
9104 1 18 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.166 -0.416 25449
9105 1 18 . 1 1 82 82 ASN C C 82 174.000 174.000 173.500 0.500 25449
9106 1 18 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.915 -0.015 25449
9107 1 18 . 1 1 82 82 ASN CB C 82 42.900 42.900 42.361 0.539 25449
9108 1 18 . 1 1 82 82 ASN H H 82 8.890 8.890 8.314 0.576 25449
9109 1 18 . 1 1 83 83 TYR N N 83 120.400 120.400 120.456 -0.056 25449
9110 1 18 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.793 0.007 25449
9111 1 18 . 1 1 83 83 TYR C C 83 177.100 177.100 174.947 2.153 25449
9112 1 18 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.320 1.080 25449
9113 1 18 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.776 -1.076 25449
9114 1 18 . 1 1 83 83 TYR H H 83 8.480 8.480 8.654 -0.174 25449
9115 1 18 . 1 1 84 84 SER N N 84 118.000 118.000 115.858 2.142 25449
9116 1 18 . 1 1 84 84 SER HA H 84 4.520 4.520 4.561 -0.041 25449
9117 1 18 . 1 1 84 84 SER C C 84 174.100 174.100 172.131 1.969 25449
9118 1 18 . 1 1 84 84 SER CA C 84 57.700 57.700 56.541 1.159 25449
9119 1 18 . 1 1 84 84 SER CB C 84 64.300 64.300 65.518 -1.218 25449
9120 1 18 . 1 1 84 84 SER H H 84 9.040 9.040 7.135 1.905 25449
9121 1 18 . 1 1 85 85 LYS N N 85 125.300 125.300 120.308 4.992 25449
9122 1 18 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.383 0.057 25449
9123 1 18 . 1 1 85 85 LYS C C 85 175.600 175.600 175.238 0.362 25449
9124 1 18 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.803 0.497 25449
9125 1 18 . 1 1 85 85 LYS CB C 85 33.700 33.700 32.654 1.046 25449
9126 1 18 . 1 1 85 85 LYS H H 85 8.410 8.410 8.170 0.240 25449
9127 1 19 . 1 1 -1 -1 SER N N -1 115.600 115.600 115.591 0.009 25449
9128 1 19 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.467 -0.057 25449
9129 1 19 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.543 -1.543 25449
9130 1 19 . 1 1 -1 -1 SER CA C -1 58.200 58.200 57.731 0.469 25449
9131 1 19 . 1 1 -1 -1 SER CB C -1 63.900 63.900 65.466 -1.566 25449
9132 1 19 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.372 0.298 25449
9133 1 19 . 1 1 0 0 HIS N N 0 121.200 121.200 118.792 2.408 25449
9134 1 19 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.352 0.238 25449
9135 1 19 . 1 1 0 0 HIS C C 0 174.800 174.800 173.987 0.813 25449
9136 1 19 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.571 -0.471 25449
9137 1 19 . 1 1 0 0 HIS CB C 0 29.900 29.900 29.400 0.500 25449
9138 1 19 . 1 1 0 0 HIS H H 0 8.730 8.730 8.531 0.199 25449
9139 1 19 . 1 1 1 1 MET N N 1 121.800 121.800 121.308 0.492 25449
9140 1 19 . 1 1 1 1 MET HA H 1 4.370 4.370 4.624 -0.254 25449
9141 1 19 . 1 1 1 1 MET C C 1 176.300 176.300 176.802 -0.502 25449
9142 1 19 . 1 1 1 1 MET CA C 1 55.700 55.700 55.745 -0.045 25449
9143 1 19 . 1 1 1 1 MET CB C 1 32.800 32.800 33.824 -1.024 25449
9144 1 19 . 1 1 1 1 MET H H 1 8.450 8.450 8.253 0.197 25449
9145 1 19 . 1 1 2 2 SER N N 2 116.700 116.700 115.429 1.271 25449
9146 1 19 . 1 1 2 2 SER HA H 2 4.370 4.370 4.662 -0.292 25449
9147 1 19 . 1 1 2 2 SER C C 2 174.200 174.200 173.739 0.461 25449
9148 1 19 . 1 1 2 2 SER CA C 2 58.400 58.400 58.367 0.033 25449
9149 1 19 . 1 1 2 2 SER CB C 2 63.800 63.800 63.529 0.271 25449
9150 1 19 . 1 1 2 2 SER H H 2 8.410 8.410 8.022 0.388 25449
9151 1 19 . 1 1 3 3 ASP N N 3 122.100 122.100 125.945 -3.845 25449
9152 1 19 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.786 -0.236 25449
9153 1 19 . 1 1 3 3 ASP C C 3 176.100 176.100 175.062 1.038 25449
9154 1 19 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.171 0.329 25449
9155 1 19 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.318 -0.118 25449
9156 1 19 . 1 1 3 3 ASP H H 3 8.340 8.340 8.964 -0.624 25449
9157 1 19 . 1 1 4 4 ASN N N 4 119.100 119.100 115.175 3.925 25449
9158 1 19 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.707 -0.127 25449
9159 1 19 . 1 1 4 4 ASN C C 4 174.900 174.900 173.983 0.917 25449
9160 1 19 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.829 0.871 25449
9161 1 19 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.085 -0.185 25449
9162 1 19 . 1 1 4 4 ASN H H 4 8.420 8.420 7.725 0.695 25449
9163 1 19 . 1 1 5 5 ASN N N 5 118.400 118.400 116.524 1.876 25449
9164 1 19 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.683 -0.143 25449
9165 1 19 . 1 1 5 5 ASN C C 5 173.900 173.900 174.780 -0.880 25449
9166 1 19 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.670 0.530 25449
9167 1 19 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.749 -0.049 25449
9168 1 19 . 1 1 5 5 ASN H H 5 8.340 8.340 8.436 -0.096 25449
9169 1 19 . 1 1 6 6 ALA N N 6 122.100 122.100 120.703 1.397 25449
9170 1 19 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.817 -1.077 25449
9171 1 19 . 1 1 6 6 ALA C C 6 177.000 177.000 176.520 0.480 25449
9172 1 19 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.462 -0.162 25449
9173 1 19 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.639 1.361 25449
9174 1 19 . 1 1 6 6 ALA H H 6 7.590 7.590 7.571 0.019 25449
9175 1 19 . 1 1 7 7 THR N N 7 112.700 112.700 116.506 -3.806 25449
9176 1 19 . 1 1 7 7 THR HA H 7 4.390 4.390 4.344 0.046 25449
9177 1 19 . 1 1 7 7 THR C C 7 171.700 171.700 175.268 -3.568 25449
9178 1 19 . 1 1 7 7 THR CA C 7 59.800 59.800 61.178 -1.378 25449
9179 1 19 . 1 1 7 7 THR CB C 7 70.600 70.600 70.076 0.524 25449
9180 1 19 . 1 1 7 7 THR H H 7 6.840 6.840 7.825 -0.985 25449
9181 1 19 . 1 1 8 8 ASP N N 8 114.600 114.600 122.533 -7.933 25449
9182 1 19 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.259 0.231 25449
9183 1 19 . 1 1 8 8 ASP C C 8 174.300 174.300 174.410 -0.110 25449
9184 1 19 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.759 -2.259 25449
9185 1 19 . 1 1 8 8 ASP CB C 8 39.800 39.800 39.982 -0.182 25449
9186 1 19 . 1 1 8 8 ASP H H 8 8.170 8.170 8.751 -0.581 25449
9187 1 19 . 1 1 9 9 ILE N N 9 117.800 117.800 118.260 -0.460 25449
9188 1 19 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.299 0.511 25449
9189 1 19 . 1 1 9 9 ILE C C 9 174.700 174.700 174.143 0.557 25449
9190 1 19 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.585 0.015 25449
9191 1 19 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.212 0.088 25449
9192 1 19 . 1 1 9 9 ILE H H 9 7.890 7.890 7.438 0.452 25449
9193 1 19 . 1 1 10 10 LEU N N 10 125.300 125.300 127.249 -1.949 25449
9194 1 19 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.896 0.064 25449
9195 1 19 . 1 1 10 10 LEU C C 10 176.100 176.100 175.315 0.785 25449
9196 1 19 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.160 -1.260 25449
9197 1 19 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.477 -1.377 25449
9198 1 19 . 1 1 10 10 LEU H H 10 9.370 9.370 8.294 1.076 25449
9199 1 19 . 1 1 11 11 PHE N N 11 124.300 124.300 127.042 -2.742 25449
9200 1 19 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.839 -0.169 25449
9201 1 19 . 1 1 11 11 PHE C C 11 173.400 173.400 174.257 -0.857 25449
9202 1 19 . 1 1 11 11 PHE CA C 11 57.000 57.000 58.007 -1.006 25449
9203 1 19 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.779 -0.079 25449
9204 1 19 . 1 1 11 11 PHE H H 11 9.310 9.310 8.717 0.593 25449
9205 1 19 . 1 1 12 12 VAL N N 12 128.300 128.300 125.421 2.879 25449
9206 1 19 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.220 0.200 25449
9207 1 19 . 1 1 12 12 VAL C C 12 173.900 173.900 174.392 -0.492 25449
9208 1 19 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.087 0.113 25449
9209 1 19 . 1 1 12 12 VAL CB C 12 33.100 33.100 35.739 -2.639 25449
9210 1 19 . 1 1 12 12 VAL H H 12 8.380 8.380 7.734 0.646 25449
9211 1 19 . 1 1 13 13 GLY N N 13 111.800 111.800 110.377 1.423 25449
9212 1 19 . 1 1 13 13 GLY C C 13 173.800 173.800 173.833 -0.033 25449
9213 1 19 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.600 -0.200 25449
9214 1 19 . 1 1 13 13 GLY H H 13 9.150 9.150 8.416 0.734 25449
9215 1 19 . 1 1 14 14 GLY N N 14 107.600 107.600 107.166 0.434 25449
9216 1 19 . 1 1 14 14 GLY C C 14 175.400 175.400 173.641 1.759 25449
9217 1 19 . 1 1 14 14 GLY CA C 14 45.800 45.800 45.063 0.737 25449
9218 1 19 . 1 1 14 14 GLY H H 14 8.260 8.260 8.411 -0.151 25449
9219 1 19 . 1 1 15 15 ILE N N 15 111.100 111.100 122.004 -10.904 25449
9220 1 19 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.196 -0.156 25449
9221 1 19 . 1 1 15 15 ILE C C 15 175.500 175.500 175.124 0.376 25449
9222 1 19 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.981 1.519 25449
9223 1 19 . 1 1 15 15 ILE CB C 15 38.500 38.500 40.495 -1.995 25449
9224 1 19 . 1 1 15 15 ILE H H 15 6.930 6.930 7.906 -0.976 25449
9225 1 19 . 1 1 16 16 ASP N N 16 122.800 122.800 122.148 0.652 25449
9226 1 19 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.466 0.114 25449
9227 1 19 . 1 1 16 16 ASP C C 16 177.200 177.200 176.849 0.351 25449
9228 1 19 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.505 -0.805 25449
9229 1 19 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.542 -0.042 25449
9230 1 19 . 1 1 16 16 ASP H H 16 8.320 8.320 8.720 -0.400 25449
9231 1 19 . 1 1 17 17 GLU N N 17 119.600 119.600 120.065 -0.465 25449
9232 1 19 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.190 -0.050 25449
9233 1 19 . 1 1 17 17 GLU C C 17 176.800 176.800 176.301 0.499 25449
9234 1 19 . 1 1 17 17 GLU CA C 17 58.600 58.600 56.919 1.681 25449
9235 1 19 . 1 1 17 17 GLU CB C 17 29.800 29.800 28.725 1.075 25449
9236 1 19 . 1 1 17 17 GLU H H 17 8.830 8.830 8.789 0.041 25449
9237 1 19 . 1 1 18 18 THR N N 18 111.300 111.300 114.973 -3.673 25449
9238 1 19 . 1 1 18 18 THR HA H 18 4.250 4.250 4.591 -0.341 25449
9239 1 19 . 1 1 18 18 THR C C 18 175.200 175.200 174.121 1.079 25449
9240 1 19 . 1 1 18 18 THR CA C 18 62.600 62.600 61.798 0.802 25449
9241 1 19 . 1 1 18 18 THR CB C 18 69.600 69.600 69.570 0.030 25449
9242 1 19 . 1 1 18 18 THR H H 18 8.740 8.740 7.804 0.936 25449
9243 1 19 . 1 1 19 19 ILE N N 19 123.300 123.300 118.059 5.241 25449
9244 1 19 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.397 -0.517 25449
9245 1 19 . 1 1 19 19 ILE C C 19 174.300 174.300 174.485 -0.185 25449
9246 1 19 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.938 0.963 25449
9247 1 19 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.029 -3.429 25449
9248 1 19 . 1 1 19 19 ILE H H 19 7.220 7.220 7.440 -0.220 25449
9249 1 19 . 1 1 20 20 ASP N N 20 125.600 125.600 122.342 3.258 25449
9250 1 19 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.787 -0.147 25449
9251 1 19 . 1 1 20 20 ASP C C 20 175.300 175.300 176.260 -0.960 25449
9252 1 19 . 1 1 20 20 ASP CA C 20 51.500 51.500 52.661 -1.161 25449
9253 1 19 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.701 -0.701 25449
9254 1 19 . 1 1 20 20 ASP H H 20 7.790 7.790 7.964 -0.174 25449
9255 1 19 . 1 1 21 21 GLU N N 21 118.400 118.400 121.689 -3.289 25449
9256 1 19 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.916 -0.286 25449
9257 1 19 . 1 1 21 21 GLU C C 21 177.900 177.900 178.266 -0.366 25449
9258 1 19 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.265 0.635 25449
9259 1 19 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.829 -0.629 25449
9260 1 19 . 1 1 21 21 GLU H H 21 9.220 9.220 8.958 0.262 25449
9261 1 19 . 1 1 22 22 LYS N N 22 119.700 119.700 117.425 2.275 25449
9262 1 19 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.196 -0.136 25449
9263 1 19 . 1 1 22 22 LYS C C 22 178.500 178.500 178.936 -0.436 25449
9264 1 19 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.772 0.528 25449
9265 1 19 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.669 0.131 25449
9266 1 19 . 1 1 22 22 LYS H H 22 8.040 8.040 8.435 -0.395 25449
9267 1 19 . 1 1 23 23 SER N N 23 114.900 114.900 115.960 -1.060 25449
9268 1 19 . 1 1 23 23 SER HA H 23 4.300 4.300 4.296 0.004 25449
9269 1 19 . 1 1 23 23 SER C C 23 177.600 177.600 176.267 1.333 25449
9270 1 19 . 1 1 23 23 SER CA C 23 61.800 61.800 61.023 0.777 25449
9271 1 19 . 1 1 23 23 SER CB C 23 62.900 62.900 62.796 0.104 25449
9272 1 19 . 1 1 23 23 SER H H 23 8.240 8.240 8.161 0.079 25449
9273 1 19 . 1 1 24 24 LEU N N 24 118.800 118.800 121.670 -2.870 25449
9274 1 19 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.255 -0.075 25449
9275 1 19 . 1 1 24 24 LEU C C 24 178.700 178.700 178.850 -0.150 25449
9276 1 19 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.779 0.521 25449
9277 1 19 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.407 0.693 25449
9278 1 19 . 1 1 24 24 LEU H H 24 7.750 7.750 7.605 0.145 25449
9279 1 19 . 1 1 25 25 TYR N N 25 123.200 123.200 120.928 2.272 25449
9280 1 19 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.056 -0.426 25449
9281 1 19 . 1 1 25 25 TYR C C 25 178.600 178.600 177.135 1.465 25449
9282 1 19 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.087 2.113 25449
9283 1 19 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.455 -0.255 25449
9284 1 19 . 1 1 25 25 TYR H H 25 8.970 8.970 7.512 1.458 25449
9285 1 19 . 1 1 26 26 ASP N N 26 119.800 119.800 119.818 -0.018 25449
9286 1 19 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.399 -0.129 25449
9287 1 19 . 1 1 26 26 ASP C C 26 177.900 177.900 179.077 -1.177 25449
9288 1 19 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.415 0.285 25449
9289 1 19 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.137 -1.137 25449
9290 1 19 . 1 1 26 26 ASP H H 26 8.510 8.510 7.697 0.813 25449
9291 1 19 . 1 1 27 27 ILE N N 27 114.700 114.700 118.866 -4.166 25449
9292 1 19 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.861 0.099 25449
9293 1 19 . 1 1 27 27 ILE C C 27 177.700 177.700 178.060 -0.360 25449
9294 1 19 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.485 -1.185 25449
9295 1 19 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.230 0.770 25449
9296 1 19 . 1 1 27 27 ILE H H 27 7.320 7.320 7.622 -0.302 25449
9297 1 19 . 1 1 28 28 PHE N N 28 116.900 116.900 115.275 1.625 25449
9298 1 19 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.612 -0.242 25449
9299 1 19 . 1 1 28 28 PHE C C 28 179.900 179.900 176.439 3.461 25449
9300 1 19 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.560 3.740 25449
9301 1 19 . 1 1 28 28 PHE CB C 28 37.300 37.300 39.430 -2.130 25449
9302 1 19 . 1 1 28 28 PHE H H 28 8.650 8.650 7.948 0.702 25449
9303 1 19 . 1 1 29 29 SER N N 29 120.100 120.100 114.010 6.090 25449
9304 1 19 . 1 1 29 29 SER HA H 29 4.410 4.410 4.791 -0.381 25449
9305 1 19 . 1 1 29 29 SER C C 29 175.600 175.600 175.695 -0.095 25449
9306 1 19 . 1 1 29 29 SER CA C 29 61.300 61.300 59.551 1.749 25449
9307 1 19 . 1 1 29 29 SER CB C 29 62.200 62.200 63.048 -0.848 25449
9308 1 19 . 1 1 29 29 SER H H 29 8.880 8.880 7.784 1.096 25449
9309 1 19 . 1 1 30 30 SER N N 30 116.200 116.200 117.142 -0.942 25449
9310 1 19 . 1 1 30 30 SER HA H 30 3.940 3.940 4.364 -0.424 25449
9311 1 19 . 1 1 30 30 SER C C 30 174.900 174.900 175.714 -0.814 25449
9312 1 19 . 1 1 30 30 SER CA C 30 60.400 60.400 60.730 -0.330 25449
9313 1 19 . 1 1 30 30 SER CB C 30 62.400 62.400 63.151 -0.751 25449
9314 1 19 . 1 1 30 30 SER H H 30 7.270 7.270 7.904 -0.634 25449
9315 1 19 . 1 1 31 31 PHE N N 31 115.600 115.600 121.129 -5.529 25449
9316 1 19 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.623 -0.343 25449
9317 1 19 . 1 1 31 31 PHE C C 31 174.100 174.100 176.433 -2.333 25449
9318 1 19 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.920 -0.020 25449
9319 1 19 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.326 -1.026 25449
9320 1 19 . 1 1 31 31 PHE H H 31 6.980 6.980 7.761 -0.781 25449
9321 1 19 . 1 1 32 32 GLY N N 32 104.900 104.900 107.696 -2.796 25449
9322 1 19 . 1 1 32 32 GLY C C 32 171.600 171.600 172.843 -1.243 25449
9323 1 19 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.409 -0.109 25449
9324 1 19 . 1 1 32 32 GLY H H 32 7.300 7.300 7.724 -0.424 25449
9325 1 19 . 1 1 33 33 ASP N N 33 116.100 116.100 127.104 -11.004 25449
9326 1 19 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.563 -0.053 25449
9327 1 19 . 1 1 33 33 ASP C C 33 176.800 176.800 174.744 2.056 25449
9328 1 19 . 1 1 33 33 ASP CA C 33 55.400 55.400 54.936 0.464 25449
9329 1 19 . 1 1 33 33 ASP CB C 33 40.600 40.600 41.880 -1.280 25449
9330 1 19 . 1 1 33 33 ASP H H 33 8.120 8.120 8.452 -0.332 25449
9331 1 19 . 1 1 34 34 ILE N N 34 126.400 126.400 119.434 6.966 25449
9332 1 19 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.157 -0.307 25449
9333 1 19 . 1 1 34 34 ILE C C 34 176.200 176.200 176.466 -0.266 25449
9334 1 19 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.148 2.052 25449
9335 1 19 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.364 0.536 25449
9336 1 19 . 1 1 34 34 ILE H H 34 8.670 8.670 8.164 0.506 25449
9337 1 19 . 1 1 35 35 ARG N N 35 128.900 128.900 125.120 3.780 25449
9338 1 19 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.216 -0.056 25449
9339 1 19 . 1 1 35 35 ARG C C 35 175.600 175.600 176.212 -0.612 25449
9340 1 19 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.028 -0.528 25449
9341 1 19 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.071 0.629 25449
9342 1 19 . 1 1 35 35 ARG H H 35 9.320 9.320 8.315 1.005 25449
9343 1 19 . 1 1 36 36 ASN N N 36 114.300 114.300 115.162 -0.862 25449
9344 1 19 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.804 -0.094 25449
9345 1 19 . 1 1 36 36 ASN C C 36 172.000 172.000 172.895 -0.895 25449
9346 1 19 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.517 -0.017 25449
9347 1 19 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.755 1.845 25449
9348 1 19 . 1 1 36 36 ASN H H 36 7.620 7.620 8.240 -0.620 25449
9349 1 19 . 1 1 37 37 ILE N N 37 122.700 122.700 123.611 -0.911 25449
9350 1 19 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.513 0.257 25449
9351 1 19 . 1 1 37 37 ILE C C 37 173.300 173.300 174.805 -1.505 25449
9352 1 19 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.765 -0.165 25449
9353 1 19 . 1 1 37 37 ILE CB C 37 41.200 41.200 39.939 1.261 25449
9354 1 19 . 1 1 37 37 ILE H H 37 8.030 8.030 8.472 -0.442 25449
9355 1 19 . 1 1 38 38 GLU N N 38 126.700 126.700 128.608 -1.908 25449
9356 1 19 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.642 0.018 25449
9357 1 19 . 1 1 38 38 GLU C C 38 174.800 174.800 174.157 0.643 25449
9358 1 19 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.462 -1.062 25449
9359 1 19 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.212 2.188 25449
9360 1 19 . 1 1 38 38 GLU H H 38 8.870 8.870 8.586 0.284 25449
9361 1 19 . 1 1 39 39 VAL N N 39 126.400 126.400 127.203 -0.803 25449
9362 1 19 . 1 1 39 39 VAL CA C 39 58.700 58.700 59.040 -0.340 25449
9363 1 19 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.302 -0.702 25449
9364 1 19 . 1 1 39 39 VAL H H 39 8.970 8.970 8.424 0.546 25449
9365 1 19 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.326 -0.096 25449
9366 1 19 . 1 1 40 40 PRO C C 40 176.300 176.300 175.289 1.011 25449
9367 1 19 . 1 1 40 40 PRO CA C 40 63.300 63.300 63.068 0.232 25449
9368 1 19 . 1 1 40 40 PRO CB C 40 32.500 32.500 31.862 0.638 25449
9369 1 19 . 1 1 41 41 LEU N N 41 120.700 120.700 125.177 -4.477 25449
9370 1 19 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.579 -0.059 25449
9371 1 19 . 1 1 41 41 LEU C C 41 177.900 177.900 176.078 1.822 25449
9372 1 19 . 1 1 41 41 LEU CA C 41 53.100 53.100 52.585 0.515 25449
9373 1 19 . 1 1 41 41 LEU CB C 41 44.300 44.300 43.649 0.651 25449
9374 1 19 . 1 1 41 41 LEU H H 41 8.520 8.520 8.266 0.254 25449
9375 1 19 . 1 1 42 42 ASN N N 42 121.400 121.400 123.356 -1.956 25449
9376 1 19 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.770 -0.210 25449
9377 1 19 . 1 1 42 42 ASN C C 42 176.700 176.700 176.234 0.466 25449
9378 1 19 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.957 -0.057 25449
9379 1 19 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.036 -1.036 25449
9380 1 19 . 1 1 42 42 ASN H H 42 8.740 8.740 8.227 0.513 25449
9381 1 19 . 1 1 43 43 MET N N 43 125.500 125.500 124.935 0.565 25449
9382 1 19 . 1 1 43 43 MET HA H 43 4.210 4.210 4.432 -0.222 25449
9383 1 19 . 1 1 43 43 MET C C 43 177.200 177.200 177.019 0.181 25449
9384 1 19 . 1 1 43 43 MET CA C 43 57.100 57.100 57.264 -0.164 25449
9385 1 19 . 1 1 43 43 MET CB C 43 31.600 31.600 32.274 -0.674 25449
9386 1 19 . 1 1 43 43 MET H H 43 9.080 9.080 8.983 0.097 25449
9387 1 19 . 1 1 44 44 THR N N 44 114.400 114.400 115.003 -0.603 25449
9388 1 19 . 1 1 44 44 THR HA H 44 4.160 4.160 4.307 -0.147 25449
9389 1 19 . 1 1 44 44 THR C C 44 175.900 175.900 176.102 -0.202 25449
9390 1 19 . 1 1 44 44 THR CA C 44 65.200 65.200 65.295 -0.095 25449
9391 1 19 . 1 1 44 44 THR CB C 44 68.700 68.700 69.213 -0.513 25449
9392 1 19 . 1 1 44 44 THR H H 44 8.590 8.590 8.060 0.530 25449
9393 1 19 . 1 1 45 45 THR N N 45 110.300 110.300 114.381 -4.081 25449
9394 1 19 . 1 1 45 45 THR HA H 45 4.160 4.160 4.422 -0.262 25449
9395 1 19 . 1 1 45 45 THR C C 45 175.500 175.500 172.953 2.547 25449
9396 1 19 . 1 1 45 45 THR CA C 45 62.000 62.000 61.382 0.618 25449
9397 1 19 . 1 1 45 45 THR CB C 45 70.000 70.000 69.473 0.527 25449
9398 1 19 . 1 1 45 45 THR H H 45 7.610 7.610 7.595 0.015 25449
9399 1 19 . 1 1 46 46 LYS N N 46 115.700 115.700 120.439 -4.739 25449
9400 1 19 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.946 -0.226 25449
9401 1 19 . 1 1 46 46 LYS C C 46 174.600 174.600 173.974 0.626 25449
9402 1 19 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.326 0.274 25449
9403 1 19 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.552 -1.651 25449
9404 1 19 . 1 1 46 46 LYS H H 46 8.460 8.460 7.996 0.464 25449
9405 1 19 . 1 1 47 47 LYS N N 47 117.100 117.100 119.430 -2.330 25449
9406 1 19 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.582 0.098 25449
9407 1 19 . 1 1 47 47 LYS C C 47 176.300 176.300 176.833 -0.533 25449
9408 1 19 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.658 0.342 25449
9409 1 19 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.495 0.605 25449
9410 1 19 . 1 1 47 47 LYS H H 47 7.610 7.610 7.587 0.023 25449
9411 1 19 . 1 1 48 48 ASN N N 48 117.700 117.700 120.671 -2.971 25449
9412 1 19 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.858 -0.158 25449
9413 1 19 . 1 1 48 48 ASN C C 48 174.000 174.000 175.625 -1.625 25449
9414 1 19 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.898 0.702 25449
9415 1 19 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.970 -1.270 25449
9416 1 19 . 1 1 48 48 ASN H H 48 8.740 8.740 8.814 -0.074 25449
9417 1 19 . 1 1 49 49 ARG N N 49 116.800 116.800 116.060 0.740 25449
9418 1 19 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.945 0.405 25449
9419 1 19 . 1 1 49 49 ARG C C 49 177.500 177.500 176.530 0.970 25449
9420 1 19 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.520 -0.920 25449
9421 1 19 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.095 4.505 25449
9422 1 19 . 1 1 49 49 ARG H H 49 8.530 8.530 8.351 0.179 25449
9423 1 19 . 1 1 50 50 GLY N N 50 108.300 108.300 106.407 1.893 25449
9424 1 19 . 1 1 50 50 GLY C C 50 173.500 173.500 173.277 0.223 25449
9425 1 19 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.549 0.251 25449
9426 1 19 . 1 1 50 50 GLY H H 50 8.900 8.900 8.684 0.216 25449
9427 1 19 . 1 1 51 51 PHE N N 51 113.900 113.900 116.115 -2.215 25449
9428 1 19 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.751 0.719 25449
9429 1 19 . 1 1 51 51 PHE C C 51 172.000 172.000 172.358 -0.358 25449
9430 1 19 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.622 -0.622 25449
9431 1 19 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.656 2.044 25449
9432 1 19 . 1 1 51 51 PHE H H 51 6.910 6.910 7.305 -0.395 25449
9433 1 19 . 1 1 52 52 ALA N N 52 120.500 120.500 124.305 -3.805 25449
9434 1 19 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.318 0.312 25449
9435 1 19 . 1 1 52 52 ALA C C 52 173.900 173.900 174.490 -0.590 25449
9436 1 19 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.543 -0.343 25449
9437 1 19 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.449 2.651 25449
9438 1 19 . 1 1 52 52 ALA H H 52 8.810 8.810 7.932 0.878 25449
9439 1 19 . 1 1 53 53 PHE N N 53 115.000 115.000 119.165 -4.165 25449
9440 1 19 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.875 0.785 25449
9441 1 19 . 1 1 53 53 PHE C C 53 175.600 175.600 174.820 0.780 25449
9442 1 19 . 1 1 53 53 PHE CA C 53 56.200 56.200 55.542 0.658 25449
9443 1 19 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.656 0.744 25449
9444 1 19 . 1 1 53 53 PHE H H 53 8.730 8.730 8.156 0.574 25449
9445 1 19 . 1 1 54 54 VAL N N 54 122.300 122.300 121.438 0.862 25449
9446 1 19 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.317 -0.217 25449
9447 1 19 . 1 1 54 54 VAL C C 54 173.000 173.000 174.028 -1.028 25449
9448 1 19 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.506 0.194 25449
9449 1 19 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.892 -0.492 25449
9450 1 19 . 1 1 54 54 VAL H H 54 9.060 9.060 8.508 0.552 25449
9451 1 19 . 1 1 55 55 GLU N N 55 127.300 127.300 128.250 -0.950 25449
9452 1 19 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.711 0.449 25449
9453 1 19 . 1 1 55 55 GLU C C 55 175.900 175.900 175.540 0.360 25449
9454 1 19 . 1 1 55 55 GLU CA C 55 54.000 54.000 55.053 -1.053 25449
9455 1 19 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.794 -0.094 25449
9456 1 19 . 1 1 55 55 GLU H H 55 8.860 8.860 8.306 0.554 25449
9457 1 19 . 1 1 56 56 TYR N N 56 127.500 127.500 124.749 2.751 25449
9458 1 19 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.389 0.131 25449
9459 1 19 . 1 1 56 56 TYR C C 56 175.000 175.000 177.009 -2.009 25449
9460 1 19 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.648 1.052 25449
9461 1 19 . 1 1 56 56 TYR CB C 56 40.200 40.200 39.237 0.963 25449
9462 1 19 . 1 1 56 56 TYR H H 56 9.470 9.470 9.012 0.458 25449
9463 1 19 . 1 1 57 57 VAL N N 57 119.200 119.200 120.825 -1.625 25449
9464 1 19 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.885 -0.315 25449
9465 1 19 . 1 1 57 57 VAL C C 57 177.000 177.000 176.269 0.731 25449
9466 1 19 . 1 1 57 57 VAL CA C 57 66.300 66.300 65.045 1.255 25449
9467 1 19 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.033 -0.033 25449
9468 1 19 . 1 1 57 57 VAL H H 57 7.800 7.800 7.933 -0.133 25449
9469 1 19 . 1 1 58 58 GLU N N 58 118.500 118.500 116.793 1.707 25449
9470 1 19 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.636 0.144 25449
9471 1 19 . 1 1 58 58 GLU C C 58 177.500 177.500 177.324 0.176 25449
9472 1 19 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.441 -1.641 25449
9473 1 19 . 1 1 58 58 GLU CB C 58 30.500 30.500 31.433 -0.933 25449
9474 1 19 . 1 1 58 58 GLU H H 58 9.530 9.530 8.081 1.449 25449
9475 1 19 . 1 1 59 59 VAL N N 59 125.200 125.200 122.642 2.558 25449
9476 1 19 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.977 -0.447 25449
9477 1 19 . 1 1 59 59 VAL C C 59 177.600 177.600 176.696 0.904 25449
9478 1 19 . 1 1 59 59 VAL CA C 59 66.100 66.100 64.957 1.143 25449
9479 1 19 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.698 -0.998 25449
9480 1 19 . 1 1 59 59 VAL H H 59 8.650 8.650 8.610 0.040 25449
9481 1 19 . 1 1 60 60 ASP N N 60 118.500 118.500 120.758 -2.258 25449
9482 1 19 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.366 -0.146 25449
9483 1 19 . 1 1 60 60 ASP C C 60 178.300 178.300 177.467 0.833 25449
9484 1 19 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.638 -0.038 25449
9485 1 19 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.840 -0.340 25449
9486 1 19 . 1 1 60 60 ASP H H 60 8.970 8.970 8.633 0.337 25449
9487 1 19 . 1 1 61 61 ASP N N 61 119.900 119.900 119.531 0.369 25449
9488 1 19 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.490 -0.130 25449
9489 1 19 . 1 1 61 61 ASP C C 61 176.800 176.800 178.181 -1.381 25449
9490 1 19 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.151 -0.251 25449
9491 1 19 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.472 -0.672 25449
9492 1 19 . 1 1 61 61 ASP H H 61 6.920 6.920 8.644 -1.724 25449
9493 1 19 . 1 1 62 62 ALA N N 62 122.700 122.700 122.302 0.398 25449
9494 1 19 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.425 -0.045 25449
9495 1 19 . 1 1 62 62 ALA C C 62 171.600 171.600 179.432 -7.832 25449
9496 1 19 . 1 1 62 62 ALA CA C 62 55.100 55.100 54.921 0.179 25449
9497 1 19 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.271 -0.071 25449
9498 1 19 . 1 1 62 62 ALA H H 62 6.910 6.910 7.659 -0.749 25449
9499 1 19 . 1 1 63 63 LYS N N 63 116.200 116.200 118.690 -2.490 25449
9500 1 19 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.955 0.235 25449
9501 1 19 . 1 1 63 63 LYS C C 63 179.200 179.200 179.183 0.017 25449
9502 1 19 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.356 -0.056 25449
9503 1 19 . 1 1 63 63 LYS CB C 63 32.600 32.600 31.787 0.813 25449
9504 1 19 . 1 1 63 63 LYS H H 63 8.020 8.020 7.868 0.152 25449
9505 1 19 . 1 1 64 64 HIS N N 64 117.400 117.400 117.491 -0.091 25449
9506 1 19 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.422 -0.112 25449
9507 1 19 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.606 -0.606 25449
9508 1 19 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.993 -0.893 25449
9509 1 19 . 1 1 64 64 HIS H H 64 7.460 7.460 7.490 -0.030 25449
9510 1 19 . 1 1 65 65 ALA N N 65 123.700 123.700 122.192 1.508 25449
9511 1 19 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.961 -1.791 25449
9512 1 19 . 1 1 65 65 ALA C C 65 178.700 178.700 178.806 -0.106 25449
9513 1 19 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.735 0.065 25449
9514 1 19 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.544 0.856 25449
9515 1 19 . 1 1 65 65 ALA H H 65 8.190 8.190 7.621 0.569 25449
9516 1 19 . 1 1 66 66 LEU N N 66 119.800 119.800 117.763 2.037 25449
9517 1 19 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.094 -0.664 25449
9518 1 19 . 1 1 66 66 LEU C C 66 178.700 178.700 178.996 -0.296 25449
9519 1 19 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.642 2.058 25449
9520 1 19 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.713 -0.613 25449
9521 1 19 . 1 1 66 66 LEU H H 66 8.340 8.340 7.574 0.766 25449
9522 1 19 . 1 1 67 67 TYR N N 67 116.200 116.200 120.281 -4.081 25449
9523 1 19 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.072 -0.062 25449
9524 1 19 . 1 1 67 67 TYR C C 67 177.700 177.700 177.274 0.426 25449
9525 1 19 . 1 1 67 67 TYR CA C 67 60.500 60.500 62.627 -2.127 25449
9526 1 19 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.587 -0.487 25449
9527 1 19 . 1 1 67 67 TYR H H 67 7.760 7.760 7.657 0.103 25449
9528 1 19 . 1 1 68 68 ASN N N 68 113.900 113.900 116.100 -2.200 25449
9529 1 19 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.595 -0.165 25449
9530 1 19 . 1 1 68 68 ASN C C 68 176.400 176.400 176.187 0.213 25449
9531 1 19 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.023 0.577 25449
9532 1 19 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.553 2.847 25449
9533 1 19 . 1 1 68 68 ASN H H 68 7.480 7.480 7.818 -0.338 25449
9534 1 19 . 1 1 69 69 MET N N 69 114.900 114.900 116.367 -1.467 25449
9535 1 19 . 1 1 69 69 MET HA H 69 4.760 4.760 4.512 0.248 25449
9536 1 19 . 1 1 69 69 MET C C 69 177.000 177.000 176.816 0.184 25449
9537 1 19 . 1 1 69 69 MET CA C 69 53.500 53.500 54.170 -0.671 25449
9538 1 19 . 1 1 69 69 MET CB C 69 31.100 31.100 32.713 -1.613 25449
9539 1 19 . 1 1 69 69 MET H H 69 8.310 8.310 7.396 0.914 25449
9540 1 19 . 1 1 70 70 ASN N N 70 117.700 117.700 119.129 -1.429 25449
9541 1 19 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.612 -0.242 25449
9542 1 19 . 1 1 70 70 ASN C C 70 176.400 176.400 176.596 -0.196 25449
9543 1 19 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.360 0.740 25449
9544 1 19 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.236 -0.536 25449
9545 1 19 . 1 1 70 70 ASN H H 70 7.660 7.660 7.778 -0.118 25449
9546 1 19 . 1 1 71 71 ASN N N 71 121.500 121.500 117.329 4.171 25449
9547 1 19 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.609 -0.099 25449
9548 1 19 . 1 1 71 71 ASN C C 71 173.300 173.300 174.400 -1.100 25449
9549 1 19 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.238 2.562 25449
9550 1 19 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.203 -0.003 25449
9551 1 19 . 1 1 71 71 ASN H H 71 8.600 8.600 8.095 0.505 25449
9552 1 19 . 1 1 72 72 PHE N N 72 122.300 122.300 121.066 1.234 25449
9553 1 19 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.520 -0.330 25449
9554 1 19 . 1 1 72 72 PHE C C 72 174.100 174.100 173.453 0.647 25449
9555 1 19 . 1 1 72 72 PHE CA C 72 58.700 58.700 56.684 2.016 25449
9556 1 19 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.525 0.775 25449
9557 1 19 . 1 1 72 72 PHE H H 72 7.870 7.870 7.555 0.315 25449
9558 1 19 . 1 1 73 73 GLU N N 73 126.100 126.100 128.255 -2.155 25449
9559 1 19 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.524 -0.294 25449
9560 1 19 . 1 1 73 73 GLU C C 73 173.000 173.000 174.323 -1.323 25449
9561 1 19 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.306 1.294 25449
9562 1 19 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.974 -1.675 25449
9563 1 19 . 1 1 73 73 GLU H H 73 7.690 7.690 8.218 -0.528 25449
9564 1 19 . 1 1 74 74 LEU N N 74 128.900 128.900 126.340 2.560 25449
9565 1 19 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.212 0.308 25449
9566 1 19 . 1 1 74 74 LEU C C 74 175.500 175.500 176.133 -0.633 25449
9567 1 19 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.305 -1.005 25449
9568 1 19 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.268 2.332 25449
9569 1 19 . 1 1 74 74 LEU H H 74 8.620 8.620 7.914 0.706 25449
9570 1 19 . 1 1 75 75 ASN N N 75 126.800 126.800 121.699 5.101 25449
9571 1 19 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.464 -0.254 25449
9572 1 19 . 1 1 75 75 ASN C C 75 175.600 175.600 175.923 -0.323 25449
9573 1 19 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.770 0.130 25449
9574 1 19 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.903 -0.003 25449
9575 1 19 . 1 1 75 75 ASN H H 75 9.520 9.520 9.055 0.465 25449
9576 1 19 . 1 1 76 76 GLY N N 76 102.300 102.300 103.571 -1.271 25449
9577 1 19 . 1 1 76 76 GLY C C 76 173.600 173.600 173.972 -0.372 25449
9578 1 19 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.554 -0.254 25449
9579 1 19 . 1 1 76 76 GLY H H 76 8.500 8.500 8.495 0.005 25449
9580 1 19 . 1 1 77 77 LYS N N 77 120.800 120.800 119.883 0.917 25449
9581 1 19 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.480 0.090 25449
9582 1 19 . 1 1 77 77 LYS C C 77 175.100 175.100 175.030 0.070 25449
9583 1 19 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.363 -0.163 25449
9584 1 19 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.597 -0.097 25449
9585 1 19 . 1 1 77 77 LYS H H 77 7.580 7.580 7.398 0.182 25449
9586 1 19 . 1 1 78 78 ARG N N 78 123.300 123.300 125.171 -1.871 25449
9587 1 19 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.322 0.158 25449
9588 1 19 . 1 1 78 78 ARG C C 78 176.600 176.600 175.959 0.641 25449
9589 1 19 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.212 0.087 25449
9590 1 19 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.590 -0.290 25449
9591 1 19 . 1 1 78 78 ARG H H 78 8.580 8.580 8.495 0.085 25449
9592 1 19 . 1 1 79 79 ILE N N 79 120.100 120.100 124.150 -4.050 25449
9593 1 19 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.320 0.380 25449
9594 1 19 . 1 1 79 79 ILE C C 79 175.200 175.200 174.750 0.450 25449
9595 1 19 . 1 1 79 79 ILE CA C 79 60.000 60.000 60.252 -0.252 25449
9596 1 19 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.102 0.298 25449
9597 1 19 . 1 1 79 79 ILE H H 79 8.450 8.450 8.274 0.176 25449
9598 1 19 . 1 1 80 80 HIS N N 80 119.900 119.900 125.057 -5.157 25449
9599 1 19 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.752 0.438 25449
9600 1 19 . 1 1 80 80 HIS C C 80 173.600 173.600 174.910 -1.310 25449
9601 1 19 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.843 -2.043 25449
9602 1 19 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.369 0.931 25449
9603 1 19 . 1 1 80 80 HIS H H 80 8.580 8.580 8.354 0.226 25449
9604 1 19 . 1 1 81 81 VAL N N 81 123.800 123.800 125.440 -1.640 25449
9605 1 19 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.422 0.858 25449
9606 1 19 . 1 1 81 81 VAL C C 81 173.600 173.600 174.558 -0.958 25449
9607 1 19 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.213 -1.013 25449
9608 1 19 . 1 1 81 81 VAL CB C 81 35.000 35.000 33.109 1.891 25449
9609 1 19 . 1 1 81 81 VAL H H 81 8.650 8.650 8.514 0.136 25449
9610 1 19 . 1 1 82 82 ASN N N 82 121.100 121.100 123.353 -2.253 25449
9611 1 19 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.104 -0.354 25449
9612 1 19 . 1 1 82 82 ASN C C 82 174.000 174.000 173.328 0.672 25449
9613 1 19 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.654 0.246 25449
9614 1 19 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.879 1.021 25449
9615 1 19 . 1 1 82 82 ASN H H 82 8.890 8.890 8.304 0.586 25449
9616 1 19 . 1 1 83 83 TYR N N 83 120.400 120.400 121.019 -0.619 25449
9617 1 19 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.952 -0.152 25449
9618 1 19 . 1 1 83 83 TYR C C 83 177.100 177.100 174.924 2.176 25449
9619 1 19 . 1 1 83 83 TYR CA C 83 59.400 59.400 57.877 1.523 25449
9620 1 19 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.686 -0.986 25449
9621 1 19 . 1 1 83 83 TYR H H 83 8.480 8.480 8.786 -0.306 25449
9622 1 19 . 1 1 84 84 SER N N 84 118.000 118.000 116.688 1.312 25449
9623 1 19 . 1 1 84 84 SER HA H 84 4.520 4.520 4.409 0.111 25449
9624 1 19 . 1 1 84 84 SER C C 84 174.100 174.100 171.890 2.210 25449
9625 1 19 . 1 1 84 84 SER CA C 84 57.700 57.700 56.493 1.207 25449
9626 1 19 . 1 1 84 84 SER CB C 84 64.300 64.300 66.026 -1.726 25449
9627 1 19 . 1 1 84 84 SER H H 84 9.040 9.040 7.588 1.452 25449
9628 1 19 . 1 1 85 85 LYS N N 85 125.300 125.300 120.176 5.124 25449
9629 1 19 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.272 0.168 25449
9630 1 19 . 1 1 85 85 LYS C C 85 175.600 175.600 175.555 0.045 25449
9631 1 19 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.638 0.662 25449
9632 1 19 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.765 -0.065 25449
9633 1 19 . 1 1 85 85 LYS H H 85 8.410 8.410 8.197 0.213 25449
9634 1 20 . 1 1 -1 -1 SER N N -1 115.600 115.600 116.238 -0.638 25449
9635 1 20 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.402 0.008 25449
9636 1 20 . 1 1 -1 -1 SER C C -1 172.000 172.000 174.822 -2.822 25449
9637 1 20 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.680 -0.480 25449
9638 1 20 . 1 1 -1 -1 SER CB C -1 63.900 63.900 63.698 0.202 25449
9639 1 20 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.513 0.157 25449
9640 1 20 . 1 1 0 0 HIS N N 0 121.200 121.200 115.549 5.651 25449
9641 1 20 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.478 0.112 25449
9642 1 20 . 1 1 0 0 HIS C C 0 174.800 174.800 174.572 0.228 25449
9643 1 20 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.309 -0.209 25449
9644 1 20 . 1 1 0 0 HIS CB C 0 29.900 29.900 31.249 -1.349 25449
9645 1 20 . 1 1 0 0 HIS H H 0 8.730 8.730 8.049 0.681 25449
9646 1 20 . 1 1 1 1 MET N N 1 121.800 121.800 117.012 4.788 25449
9647 1 20 . 1 1 1 1 MET HA H 1 4.370 4.370 4.669 -0.299 25449
9648 1 20 . 1 1 1 1 MET C C 1 176.300 176.300 175.465 0.835 25449
9649 1 20 . 1 1 1 1 MET CA C 1 55.700 55.700 55.282 0.418 25449
9650 1 20 . 1 1 1 1 MET CB C 1 32.800 32.800 34.624 -1.824 25449
9651 1 20 . 1 1 1 1 MET H H 1 8.450 8.450 8.437 0.013 25449
9652 1 20 . 1 1 2 2 SER N N 2 116.700 116.700 115.413 1.287 25449
9653 1 20 . 1 1 2 2 SER HA H 2 4.370 4.370 4.699 -0.329 25449
9654 1 20 . 1 1 2 2 SER C C 2 174.200 174.200 172.539 1.661 25449
9655 1 20 . 1 1 2 2 SER CA C 2 58.400 58.400 57.523 0.878 25449
9656 1 20 . 1 1 2 2 SER CB C 2 63.800 63.800 64.615 -0.815 25449
9657 1 20 . 1 1 2 2 SER H H 2 8.410 8.410 8.132 0.278 25449
9658 1 20 . 1 1 3 3 ASP N N 3 122.100 122.100 121.045 1.055 25449
9659 1 20 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.980 -0.430 25449
9660 1 20 . 1 1 3 3 ASP C C 3 176.100 176.100 174.127 1.973 25449
9661 1 20 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.084 0.416 25449
9662 1 20 . 1 1 3 3 ASP CB C 3 41.200 41.200 42.309 -1.109 25449
9663 1 20 . 1 1 3 3 ASP H H 3 8.340 8.340 8.577 -0.237 25449
9664 1 20 . 1 1 4 4 ASN N N 4 119.100 119.100 121.067 -1.967 25449
9665 1 20 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.715 -0.135 25449
9666 1 20 . 1 1 4 4 ASN C C 4 174.900 174.900 173.403 1.497 25449
9667 1 20 . 1 1 4 4 ASN CA C 4 53.700 53.700 51.952 1.748 25449
9668 1 20 . 1 1 4 4 ASN CB C 4 38.900 38.900 40.070 -1.170 25449
9669 1 20 . 1 1 4 4 ASN H H 4 8.420 8.420 8.201 0.219 25449
9670 1 20 . 1 1 5 5 ASN N N 5 118.400 118.400 114.713 3.687 25449
9671 1 20 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.401 0.139 25449
9672 1 20 . 1 1 5 5 ASN C C 5 173.900 173.900 175.003 -1.103 25449
9673 1 20 . 1 1 5 5 ASN CA C 5 53.200 53.200 52.453 0.747 25449
9674 1 20 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.647 0.053 25449
9675 1 20 . 1 1 5 5 ASN H H 5 8.340 8.340 8.315 0.025 25449
9676 1 20 . 1 1 6 6 ALA N N 6 122.100 122.100 122.732 -0.632 25449
9677 1 20 . 1 1 6 6 ALA HA H 6 2.740 2.740 4.302 -1.562 25449
9678 1 20 . 1 1 6 6 ALA C C 6 177.000 177.000 177.438 -0.438 25449
9679 1 20 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.720 -0.420 25449
9680 1 20 . 1 1 6 6 ALA CB C 6 20.000 20.000 19.426 0.574 25449
9681 1 20 . 1 1 6 6 ALA H H 6 7.590 7.590 7.727 -0.137 25449
9682 1 20 . 1 1 7 7 THR N N 7 112.700 112.700 116.417 -3.717 25449
9683 1 20 . 1 1 7 7 THR HA H 7 4.390 4.390 4.353 0.037 25449
9684 1 20 . 1 1 7 7 THR C C 7 171.700 171.700 175.192 -3.492 25449
9685 1 20 . 1 1 7 7 THR CA C 7 59.800 59.800 61.815 -2.015 25449
9686 1 20 . 1 1 7 7 THR CB C 7 70.600 70.600 70.487 0.112 25449
9687 1 20 . 1 1 7 7 THR H H 7 6.840 6.840 8.191 -1.351 25449
9688 1 20 . 1 1 8 8 ASP N N 8 114.600 114.600 121.284 -6.684 25449
9689 1 20 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.368 0.122 25449
9690 1 20 . 1 1 8 8 ASP C C 8 174.300 174.300 174.944 -0.644 25449
9691 1 20 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.612 -2.112 25449
9692 1 20 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.367 -0.567 25449
9693 1 20 . 1 1 8 8 ASP H H 8 8.170 8.170 8.665 -0.495 25449
9694 1 20 . 1 1 9 9 ILE N N 9 117.800 117.800 118.827 -1.027 25449
9695 1 20 . 1 1 9 9 ILE HA H 9 4.810 4.810 5.071 -0.261 25449
9696 1 20 . 1 1 9 9 ILE C C 9 174.700 174.700 174.435 0.265 25449
9697 1 20 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.213 0.387 25449
9698 1 20 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.232 0.068 25449
9699 1 20 . 1 1 9 9 ILE H H 9 7.890 7.890 7.415 0.475 25449
9700 1 20 . 1 1 10 10 LEU N N 10 125.300 125.300 127.227 -1.927 25449
9701 1 20 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.737 0.223 25449
9702 1 20 . 1 1 10 10 LEU C C 10 176.100 176.100 175.405 0.695 25449
9703 1 20 . 1 1 10 10 LEU CA C 10 52.900 52.900 53.765 -0.865 25449
9704 1 20 . 1 1 10 10 LEU CB C 10 43.100 43.100 43.725 -0.625 25449
9705 1 20 . 1 1 10 10 LEU H H 10 9.370 9.370 8.123 1.247 25449
9706 1 20 . 1 1 11 11 PHE N N 11 124.300 124.300 127.588 -3.288 25449
9707 1 20 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.789 -0.119 25449
9708 1 20 . 1 1 11 11 PHE C C 11 173.400 173.400 173.815 -0.415 25449
9709 1 20 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.254 -0.254 25449
9710 1 20 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.010 0.690 25449
9711 1 20 . 1 1 11 11 PHE H H 11 9.310 9.310 8.260 1.050 25449
9712 1 20 . 1 1 12 12 VAL N N 12 128.300 128.300 128.730 -0.430 25449
9713 1 20 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.158 0.262 25449
9714 1 20 . 1 1 12 12 VAL C C 12 173.900 173.900 174.576 -0.676 25449
9715 1 20 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.502 -1.302 25449
9716 1 20 . 1 1 12 12 VAL CB C 12 33.100 33.100 32.498 0.602 25449
9717 1 20 . 1 1 12 12 VAL H H 12 8.380 8.380 7.772 0.608 25449
9718 1 20 . 1 1 13 13 GLY N N 13 111.800 111.800 113.381 -1.581 25449
9719 1 20 . 1 1 13 13 GLY C C 13 173.800 173.800 173.163 0.637 25449
9720 1 20 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.374 0.026 25449
9721 1 20 . 1 1 13 13 GLY H H 13 9.150 9.150 7.703 1.447 25449
9722 1 20 . 1 1 14 14 GLY N N 14 107.600 107.600 109.291 -1.691 25449
9723 1 20 . 1 1 14 14 GLY C C 14 175.400 175.400 173.719 1.681 25449
9724 1 20 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.730 1.070 25449
9725 1 20 . 1 1 14 14 GLY H H 14 8.260 8.260 8.244 0.016 25449
9726 1 20 . 1 1 15 15 ILE N N 15 111.100 111.100 116.140 -5.040 25449
9727 1 20 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.356 -0.316 25449
9728 1 20 . 1 1 15 15 ILE C C 15 175.500 175.500 175.948 -0.448 25449
9729 1 20 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.235 2.265 25449
9730 1 20 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.442 -0.942 25449
9731 1 20 . 1 1 15 15 ILE H H 15 6.930 6.930 7.175 -0.245 25449
9732 1 20 . 1 1 16 16 ASP N N 16 122.800 122.800 122.468 0.332 25449
9733 1 20 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.402 0.178 25449
9734 1 20 . 1 1 16 16 ASP C C 16 177.200 177.200 176.541 0.659 25449
9735 1 20 . 1 1 16 16 ASP CA C 16 53.700 53.700 54.550 -0.850 25449
9736 1 20 . 1 1 16 16 ASP CB C 16 42.500 42.500 41.352 1.149 25449
9737 1 20 . 1 1 16 16 ASP H H 16 8.320 8.320 8.718 -0.398 25449
9738 1 20 . 1 1 17 17 GLU N N 17 119.600 119.600 115.234 4.366 25449
9739 1 20 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.235 -0.095 25449
9740 1 20 . 1 1 17 17 GLU C C 17 176.800 176.800 176.492 0.308 25449
9741 1 20 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.382 1.218 25449
9742 1 20 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.478 0.322 25449
9743 1 20 . 1 1 17 17 GLU H H 17 8.830 8.830 8.637 0.193 25449
9744 1 20 . 1 1 18 18 THR N N 18 111.300 111.300 115.105 -3.805 25449
9745 1 20 . 1 1 18 18 THR HA H 18 4.250 4.250 4.461 -0.211 25449
9746 1 20 . 1 1 18 18 THR C C 18 175.200 175.200 173.850 1.350 25449
9747 1 20 . 1 1 18 18 THR CA C 18 62.600 62.600 60.840 1.760 25449
9748 1 20 . 1 1 18 18 THR CB C 18 69.600 69.600 68.858 0.742 25449
9749 1 20 . 1 1 18 18 THR H H 18 8.740 8.740 7.980 0.760 25449
9750 1 20 . 1 1 19 19 ILE N N 19 123.300 123.300 117.987 5.313 25449
9751 1 20 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.463 -0.583 25449
9752 1 20 . 1 1 19 19 ILE C C 19 174.300 174.300 174.223 0.077 25449
9753 1 20 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.455 1.445 25449
9754 1 20 . 1 1 19 19 ILE CB C 19 35.600 35.600 39.665 -4.065 25449
9755 1 20 . 1 1 19 19 ILE H H 19 7.220 7.220 7.352 -0.132 25449
9756 1 20 . 1 1 20 20 ASP N N 20 125.600 125.600 121.316 4.284 25449
9757 1 20 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.824 -0.184 25449
9758 1 20 . 1 1 20 20 ASP C C 20 175.300 175.300 176.688 -1.388 25449
9759 1 20 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.567 -2.067 25449
9760 1 20 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.506 -0.506 25449
9761 1 20 . 1 1 20 20 ASP H H 20 7.790 7.790 8.139 -0.349 25449
9762 1 20 . 1 1 21 21 GLU N N 21 118.400 118.400 122.243 -3.843 25449
9763 1 20 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.987 -0.357 25449
9764 1 20 . 1 1 21 21 GLU C C 21 177.900 177.900 178.280 -0.380 25449
9765 1 20 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.094 0.806 25449
9766 1 20 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.658 -0.458 25449
9767 1 20 . 1 1 21 21 GLU H H 21 9.220 9.220 8.958 0.262 25449
9768 1 20 . 1 1 22 22 LYS N N 22 119.700 119.700 116.900 2.800 25449
9769 1 20 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.294 -0.234 25449
9770 1 20 . 1 1 22 22 LYS C C 22 178.500 178.500 178.904 -0.404 25449
9771 1 20 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.376 0.924 25449
9772 1 20 . 1 1 22 22 LYS CB C 22 31.800 31.800 32.009 -0.209 25449
9773 1 20 . 1 1 22 22 LYS H H 22 8.040 8.040 8.355 -0.315 25449
9774 1 20 . 1 1 23 23 SER N N 23 114.900 114.900 117.569 -2.669 25449
9775 1 20 . 1 1 23 23 SER HA H 23 4.300 4.300 4.272 0.028 25449
9776 1 20 . 1 1 23 23 SER C C 23 177.600 177.600 176.297 1.303 25449
9777 1 20 . 1 1 23 23 SER CA C 23 61.800 61.800 61.754 0.046 25449
9778 1 20 . 1 1 23 23 SER CB C 23 62.900 62.900 62.931 -0.030 25449
9779 1 20 . 1 1 23 23 SER H H 23 8.240 8.240 7.670 0.570 25449
9780 1 20 . 1 1 24 24 LEU N N 24 118.800 118.800 121.164 -2.364 25449
9781 1 20 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.144 0.036 25449
9782 1 20 . 1 1 24 24 LEU C C 24 178.700 178.700 178.728 -0.028 25449
9783 1 20 . 1 1 24 24 LEU CA C 24 57.300 57.300 57.069 0.231 25449
9784 1 20 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.435 0.664 25449
9785 1 20 . 1 1 24 24 LEU H H 24 7.750 7.750 7.454 0.296 25449
9786 1 20 . 1 1 25 25 TYR N N 25 123.200 123.200 120.278 2.922 25449
9787 1 20 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.044 -0.414 25449
9788 1 20 . 1 1 25 25 TYR C C 25 178.600 178.600 177.116 1.484 25449
9789 1 20 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.578 1.622 25449
9790 1 20 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.454 -0.254 25449
9791 1 20 . 1 1 25 25 TYR H H 25 8.970 8.970 7.596 1.374 25449
9792 1 20 . 1 1 26 26 ASP N N 26 119.800 119.800 119.139 0.661 25449
9793 1 20 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.506 -0.236 25449
9794 1 20 . 1 1 26 26 ASP C C 26 177.900 177.900 179.353 -1.453 25449
9795 1 20 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.240 0.459 25449
9796 1 20 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.228 -1.228 25449
9797 1 20 . 1 1 26 26 ASP H H 26 8.510 8.510 7.717 0.793 25449
9798 1 20 . 1 1 27 27 ILE N N 27 114.700 114.700 120.198 -5.498 25449
9799 1 20 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.836 0.124 25449
9800 1 20 . 1 1 27 27 ILE C C 27 177.700 177.700 177.617 0.083 25449
9801 1 20 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.820 -1.520 25449
9802 1 20 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.232 0.768 25449
9803 1 20 . 1 1 27 27 ILE H H 27 7.320 7.320 7.681 -0.361 25449
9804 1 20 . 1 1 28 28 PHE N N 28 116.900 116.900 115.753 1.147 25449
9805 1 20 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.560 -0.190 25449
9806 1 20 . 1 1 28 28 PHE C C 28 179.900 179.900 176.435 3.465 25449
9807 1 20 . 1 1 28 28 PHE CA C 28 62.300 62.300 58.763 3.538 25449
9808 1 20 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.920 -1.620 25449
9809 1 20 . 1 1 28 28 PHE H H 28 8.650 8.650 8.041 0.609 25449
9810 1 20 . 1 1 29 29 SER N N 29 120.100 120.100 112.378 7.722 25449
9811 1 20 . 1 1 29 29 SER HA H 29 4.410 4.410 4.728 -0.318 25449
9812 1 20 . 1 1 29 29 SER C C 29 175.600 175.600 175.553 0.047 25449
9813 1 20 . 1 1 29 29 SER CA C 29 61.300 61.300 59.151 2.149 25449
9814 1 20 . 1 1 29 29 SER CB C 29 62.200 62.200 63.502 -1.302 25449
9815 1 20 . 1 1 29 29 SER H H 29 8.880 8.880 7.577 1.303 25449
9816 1 20 . 1 1 30 30 SER N N 30 116.200 116.200 117.513 -1.313 25449
9817 1 20 . 1 1 30 30 SER HA H 30 3.940 3.940 4.259 -0.319 25449
9818 1 20 . 1 1 30 30 SER C C 30 174.900 174.900 175.476 -0.576 25449
9819 1 20 . 1 1 30 30 SER CA C 30 60.400 60.400 60.815 -0.415 25449
9820 1 20 . 1 1 30 30 SER CB C 30 62.400 62.400 63.203 -0.803 25449
9821 1 20 . 1 1 30 30 SER H H 30 7.270 7.270 7.972 -0.702 25449
9822 1 20 . 1 1 31 31 PHE N N 31 115.600 115.600 121.756 -6.156 25449
9823 1 20 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.592 -0.312 25449
9824 1 20 . 1 1 31 31 PHE C C 31 174.100 174.100 176.244 -2.144 25449
9825 1 20 . 1 1 31 31 PHE CA C 31 58.900 58.900 58.969 -0.069 25449
9826 1 20 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.263 -0.963 25449
9827 1 20 . 1 1 31 31 PHE H H 31 6.980 6.980 8.005 -1.025 25449
9828 1 20 . 1 1 32 32 GLY N N 32 104.900 104.900 106.789 -1.889 25449
9829 1 20 . 1 1 32 32 GLY C C 32 171.600 171.600 172.807 -1.207 25449
9830 1 20 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.561 -0.261 25449
9831 1 20 . 1 1 32 32 GLY H H 32 7.300 7.300 7.611 -0.311 25449
9832 1 20 . 1 1 33 33 ASP N N 33 116.100 116.100 124.719 -8.619 25449
9833 1 20 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.466 0.044 25449
9834 1 20 . 1 1 33 33 ASP C C 33 176.800 176.800 174.593 2.207 25449
9835 1 20 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.529 -0.129 25449
9836 1 20 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.369 -1.769 25449
9837 1 20 . 1 1 33 33 ASP H H 33 8.120 8.120 8.502 -0.382 25449
9838 1 20 . 1 1 34 34 ILE N N 34 126.400 126.400 118.634 7.766 25449
9839 1 20 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.034 -0.184 25449
9840 1 20 . 1 1 34 34 ILE C C 34 176.200 176.200 176.419 -0.219 25449
9841 1 20 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.437 1.763 25449
9842 1 20 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.393 0.507 25449
9843 1 20 . 1 1 34 34 ILE H H 34 8.670 8.670 7.951 0.719 25449
9844 1 20 . 1 1 35 35 ARG N N 35 128.900 128.900 126.478 2.422 25449
9845 1 20 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.124 0.036 25449
9846 1 20 . 1 1 35 35 ARG C C 35 175.600 175.600 176.031 -0.431 25449
9847 1 20 . 1 1 35 35 ARG CA C 35 57.500 57.500 58.907 -1.407 25449
9848 1 20 . 1 1 35 35 ARG CB C 35 31.700 31.700 30.970 0.730 25449
9849 1 20 . 1 1 35 35 ARG H H 35 9.320 9.320 8.340 0.980 25449
9850 1 20 . 1 1 36 36 ASN N N 36 114.300 114.300 113.741 0.559 25449
9851 1 20 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.778 -0.068 25449
9852 1 20 . 1 1 36 36 ASN C C 36 172.000 172.000 172.834 -0.834 25449
9853 1 20 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.200 0.300 25449
9854 1 20 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.459 2.140 25449
9855 1 20 . 1 1 36 36 ASN H H 36 7.620 7.620 8.112 -0.492 25449
9856 1 20 . 1 1 37 37 ILE N N 37 122.700 122.700 122.016 0.684 25449
9857 1 20 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.400 0.370 25449
9858 1 20 . 1 1 37 37 ILE C C 37 173.300 173.300 174.352 -1.052 25449
9859 1 20 . 1 1 37 37 ILE CA C 37 60.600 60.600 60.816 -0.216 25449
9860 1 20 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.571 0.630 25449
9861 1 20 . 1 1 37 37 ILE H H 37 8.030 8.030 8.455 -0.425 25449
9862 1 20 . 1 1 38 38 GLU N N 38 126.700 126.700 128.635 -1.935 25449
9863 1 20 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.711 -0.051 25449
9864 1 20 . 1 1 38 38 GLU C C 38 174.800 174.800 174.526 0.274 25449
9865 1 20 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.439 -1.039 25449
9866 1 20 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.481 1.919 25449
9867 1 20 . 1 1 38 38 GLU H H 38 8.870 8.870 8.551 0.319 25449
9868 1 20 . 1 1 39 39 VAL N N 39 126.400 126.400 127.449 -1.049 25449
9869 1 20 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.868 -0.168 25449
9870 1 20 . 1 1 39 39 VAL CB C 39 32.600 32.600 32.892 -0.292 25449
9871 1 20 . 1 1 39 39 VAL H H 39 8.970 8.970 7.989 0.981 25449
9872 1 20 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.415 -0.185 25449
9873 1 20 . 1 1 40 40 PRO C C 40 176.300 176.300 175.243 1.057 25449
9874 1 20 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.948 0.352 25449
9875 1 20 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.187 0.313 25449
9876 1 20 . 1 1 41 41 LEU N N 41 120.700 120.700 123.048 -2.348 25449
9877 1 20 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.677 -0.157 25449
9878 1 20 . 1 1 41 41 LEU C C 41 177.900 177.900 175.780 2.120 25449
9879 1 20 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.313 -0.213 25449
9880 1 20 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.649 -1.349 25449
9881 1 20 . 1 1 41 41 LEU H H 41 8.520 8.520 8.185 0.335 25449
9882 1 20 . 1 1 42 42 ASN N N 42 121.400 121.400 122.188 -0.788 25449
9883 1 20 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.957 -0.397 25449
9884 1 20 . 1 1 42 42 ASN C C 42 176.700 176.700 176.282 0.418 25449
9885 1 20 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.322 0.578 25449
9886 1 20 . 1 1 42 42 ASN CB C 42 39.000 39.000 39.753 -0.753 25449
9887 1 20 . 1 1 42 42 ASN H H 42 8.740 8.740 8.315 0.425 25449
9888 1 20 . 1 1 43 43 MET N N 43 125.500 125.500 123.650 1.850 25449
9889 1 20 . 1 1 43 43 MET HA H 43 4.210 4.210 4.332 -0.122 25449
9890 1 20 . 1 1 43 43 MET C C 43 177.200 177.200 176.459 0.741 25449
9891 1 20 . 1 1 43 43 MET CA C 43 57.100 57.100 57.504 -0.404 25449
9892 1 20 . 1 1 43 43 MET CB C 43 31.600 31.600 32.154 -0.554 25449
9893 1 20 . 1 1 43 43 MET H H 43 9.080 9.080 8.894 0.186 25449
9894 1 20 . 1 1 44 44 THR N N 44 114.400 114.400 113.264 1.136 25449
9895 1 20 . 1 1 44 44 THR HA H 44 4.160 4.160 4.308 -0.148 25449
9896 1 20 . 1 1 44 44 THR C C 44 175.900 175.900 175.739 0.161 25449
9897 1 20 . 1 1 44 44 THR CA C 44 65.200 65.200 64.809 0.390 25449
9898 1 20 . 1 1 44 44 THR CB C 44 68.700 68.700 69.040 -0.340 25449
9899 1 20 . 1 1 44 44 THR H H 44 8.590 8.590 7.923 0.667 25449
9900 1 20 . 1 1 45 45 THR N N 45 110.300 110.300 114.370 -4.070 25449
9901 1 20 . 1 1 45 45 THR HA H 45 4.160 4.160 4.409 -0.249 25449
9902 1 20 . 1 1 45 45 THR C C 45 175.500 175.500 173.428 2.072 25449
9903 1 20 . 1 1 45 45 THR CA C 45 62.000 62.000 61.304 0.695 25449
9904 1 20 . 1 1 45 45 THR CB C 45 70.000 70.000 69.855 0.145 25449
9905 1 20 . 1 1 45 45 THR H H 45 7.610 7.610 7.725 -0.115 25449
9906 1 20 . 1 1 46 46 LYS N N 46 115.700 115.700 121.790 -6.090 25449
9907 1 20 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.910 -0.190 25449
9908 1 20 . 1 1 46 46 LYS C C 46 174.600 174.600 174.148 0.452 25449
9909 1 20 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.314 0.286 25449
9910 1 20 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.571 -1.671 25449
9911 1 20 . 1 1 46 46 LYS H H 46 8.460 8.460 8.257 0.203 25449
9912 1 20 . 1 1 47 47 LYS N N 47 117.100 117.100 119.213 -2.113 25449
9913 1 20 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.562 0.118 25449
9914 1 20 . 1 1 47 47 LYS C C 47 176.300 176.300 176.743 -0.443 25449
9915 1 20 . 1 1 47 47 LYS CA C 47 54.000 54.000 53.811 0.189 25449
9916 1 20 . 1 1 47 47 LYS CB C 47 35.100 35.100 34.514 0.586 25449
9917 1 20 . 1 1 47 47 LYS H H 47 7.610 7.610 7.541 0.069 25449
9918 1 20 . 1 1 48 48 ASN N N 48 117.700 117.700 119.652 -1.952 25449
9919 1 20 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.736 -0.036 25449
9920 1 20 . 1 1 48 48 ASN C C 48 174.000 174.000 175.606 -1.606 25449
9921 1 20 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.949 0.651 25449
9922 1 20 . 1 1 48 48 ASN CB C 48 37.700 37.700 38.953 -1.253 25449
9923 1 20 . 1 1 48 48 ASN H H 48 8.740 8.740 8.719 0.021 25449
9924 1 20 . 1 1 49 49 ARG N N 49 116.800 116.800 116.466 0.334 25449
9925 1 20 . 1 1 49 49 ARG HA H 49 4.350 4.350 3.956 0.394 25449
9926 1 20 . 1 1 49 49 ARG C C 49 177.500 177.500 176.454 1.046 25449
9927 1 20 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.552 -0.952 25449
9928 1 20 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.118 4.482 25449
9929 1 20 . 1 1 49 49 ARG H H 49 8.530 8.530 8.435 0.094 25449
9930 1 20 . 1 1 50 50 GLY N N 50 108.300 108.300 106.234 2.066 25449
9931 1 20 . 1 1 50 50 GLY C C 50 173.500 173.500 173.232 0.268 25449
9932 1 20 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.165 0.635 25449
9933 1 20 . 1 1 50 50 GLY H H 50 8.900 8.900 8.727 0.173 25449
9934 1 20 . 1 1 51 51 PHE N N 51 113.900 113.900 116.362 -2.462 25449
9935 1 20 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.383 1.087 25449
9936 1 20 . 1 1 51 51 PHE C C 51 172.000 172.000 171.803 0.197 25449
9937 1 20 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.907 -0.907 25449
9938 1 20 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.212 2.488 25449
9939 1 20 . 1 1 51 51 PHE H H 51 6.910 6.910 7.327 -0.417 25449
9940 1 20 . 1 1 52 52 ALA N N 52 120.500 120.500 124.470 -3.970 25449
9941 1 20 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.326 0.304 25449
9942 1 20 . 1 1 52 52 ALA C C 52 173.900 173.900 174.554 -0.654 25449
9943 1 20 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.433 -0.233 25449
9944 1 20 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.259 2.841 25449
9945 1 20 . 1 1 52 52 ALA H H 52 8.810 8.810 7.692 1.118 25449
9946 1 20 . 1 1 53 53 PHE N N 53 115.000 115.000 119.789 -4.789 25449
9947 1 20 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.737 0.923 25449
9948 1 20 . 1 1 53 53 PHE C C 53 175.600 175.600 174.703 0.897 25449
9949 1 20 . 1 1 53 53 PHE CA C 53 56.200 56.200 58.316 -2.116 25449
9950 1 20 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.363 1.037 25449
9951 1 20 . 1 1 53 53 PHE H H 53 8.730 8.730 7.964 0.766 25449
9952 1 20 . 1 1 54 54 VAL N N 54 122.300 122.300 121.627 0.673 25449
9953 1 20 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.243 -0.143 25449
9954 1 20 . 1 1 54 54 VAL C C 54 173.000 173.000 174.258 -1.258 25449
9955 1 20 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.559 0.142 25449
9956 1 20 . 1 1 54 54 VAL CB C 54 34.400 34.400 33.659 0.741 25449
9957 1 20 . 1 1 54 54 VAL H H 54 9.060 9.060 8.138 0.922 25449
9958 1 20 . 1 1 55 55 GLU N N 55 127.300 127.300 126.284 1.016 25449
9959 1 20 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.749 0.411 25449
9960 1 20 . 1 1 55 55 GLU C C 55 175.900 175.900 175.610 0.290 25449
9961 1 20 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.884 -0.884 25449
9962 1 20 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.690 0.010 25449
9963 1 20 . 1 1 55 55 GLU H H 55 8.860 8.860 8.217 0.643 25449
9964 1 20 . 1 1 56 56 TYR N N 56 127.500 127.500 123.545 3.955 25449
9965 1 20 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.552 -0.032 25449
9966 1 20 . 1 1 56 56 TYR C C 56 175.000 175.000 176.149 -1.149 25449
9967 1 20 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.839 0.862 25449
9968 1 20 . 1 1 56 56 TYR CB C 56 40.200 40.200 41.170 -0.970 25449
9969 1 20 . 1 1 56 56 TYR H H 56 9.470 9.470 7.963 1.507 25449
9970 1 20 . 1 1 57 57 VAL N N 57 119.200 119.200 120.486 -1.286 25449
9971 1 20 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.989 -0.419 25449
9972 1 20 . 1 1 57 57 VAL C C 57 177.000 177.000 175.364 1.636 25449
9973 1 20 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.807 1.493 25449
9974 1 20 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.478 -0.478 25449
9975 1 20 . 1 1 57 57 VAL H H 57 7.800 7.800 7.977 -0.177 25449
9976 1 20 . 1 1 58 58 GLU N N 58 118.500 118.500 118.462 0.038 25449
9977 1 20 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.560 0.220 25449
9978 1 20 . 1 1 58 58 GLU C C 58 177.500 177.500 176.673 0.827 25449
9979 1 20 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.129 -1.329 25449
9980 1 20 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.421 0.079 25449
9981 1 20 . 1 1 58 58 GLU H H 58 9.530 9.530 8.095 1.435 25449
9982 1 20 . 1 1 59 59 VAL N N 59 125.200 125.200 125.197 0.003 25449
9983 1 20 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.787 -0.257 25449
9984 1 20 . 1 1 59 59 VAL C C 59 177.600 177.600 177.096 0.504 25449
9985 1 20 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.200 0.900 25449
9986 1 20 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.173 -0.473 25449
9987 1 20 . 1 1 59 59 VAL H H 59 8.650 8.650 8.663 -0.013 25449
9988 1 20 . 1 1 60 60 ASP N N 60 118.500 118.500 119.525 -1.025 25449
9989 1 20 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.442 -0.222 25449
9990 1 20 . 1 1 60 60 ASP C C 60 178.300 178.300 177.784 0.516 25449
9991 1 20 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.530 0.070 25449
9992 1 20 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.449 0.051 25449
9993 1 20 . 1 1 60 60 ASP H H 60 8.970 8.970 8.580 0.390 25449
9994 1 20 . 1 1 61 61 ASP N N 61 119.900 119.900 119.895 0.005 25449
9995 1 20 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.461 -0.101 25449
9996 1 20 . 1 1 61 61 ASP C C 61 176.800 176.800 178.289 -1.489 25449
9997 1 20 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.378 -0.478 25449
9998 1 20 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.537 -0.737 25449
9999 1 20 . 1 1 61 61 ASP H H 61 6.920 6.920 8.500 -1.580 25449
10000 1 20 . 1 1 62 62 ALA N N 62 122.700 122.700 122.808 -0.108 25449
10001 1 20 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.076 0.304 25449
10002 1 20 . 1 1 62 62 ALA C C 62 171.600 171.600 179.078 -7.478 25449
10003 1 20 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.190 -0.090 25449
10004 1 20 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.363 -0.163 25449
10005 1 20 . 1 1 62 62 ALA H H 62 6.910 6.910 7.799 -0.889 25449
10006 1 20 . 1 1 63 63 LYS N N 63 116.200 116.200 116.487 -0.287 25449
10007 1 20 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.888 0.302 25449
10008 1 20 . 1 1 63 63 LYS C C 63 179.200 179.200 179.170 0.030 25449
10009 1 20 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.154 0.146 25449
10010 1 20 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.265 0.335 25449
10011 1 20 . 1 1 63 63 LYS H H 63 8.020 8.020 7.479 0.541 25449
10012 1 20 . 1 1 64 64 HIS N N 64 117.400 117.400 117.977 -0.577 25449
10013 1 20 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.444 -0.134 25449
10014 1 20 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.152 -0.152 25449
10015 1 20 . 1 1 64 64 HIS CB C 64 29.100 29.100 30.046 -0.946 25449
10016 1 20 . 1 1 64 64 HIS H H 64 7.460 7.460 7.409 0.051 25449
10017 1 20 . 1 1 65 65 ALA N N 65 123.700 123.700 123.232 0.468 25449
10018 1 20 . 1 1 65 65 ALA HA H 65 2.170 2.170 4.203 -2.033 25449
10019 1 20 . 1 1 65 65 ALA C C 65 178.700 178.700 179.496 -0.796 25449
10020 1 20 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.863 -0.063 25449
10021 1 20 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.517 0.883 25449
10022 1 20 . 1 1 65 65 ALA H H 65 8.190 8.190 7.754 0.436 25449
10023 1 20 . 1 1 66 66 LEU N N 66 119.800 119.800 118.130 1.670 25449
10024 1 20 . 1 1 66 66 LEU HA H 66 3.430 3.430 3.942 -0.512 25449
10025 1 20 . 1 1 66 66 LEU C C 66 178.700 178.700 177.128 1.572 25449
10026 1 20 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.647 2.053 25449
10027 1 20 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.447 -0.347 25449
10028 1 20 . 1 1 66 66 LEU H H 66 8.340 8.340 7.298 1.042 25449
10029 1 20 . 1 1 67 67 TYR N N 67 116.200 116.200 115.198 1.002 25449
10030 1 20 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.312 -0.302 25449
10031 1 20 . 1 1 67 67 TYR C C 67 177.700 177.700 177.973 -0.273 25449
10032 1 20 . 1 1 67 67 TYR CA C 67 60.500 60.500 60.687 -0.187 25449
10033 1 20 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.816 -0.717 25449
10034 1 20 . 1 1 67 67 TYR H H 67 7.760 7.760 7.749 0.011 25449
10035 1 20 . 1 1 68 68 ASN N N 68 113.900 113.900 118.440 -4.540 25449
10036 1 20 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.511 -0.081 25449
10037 1 20 . 1 1 68 68 ASN C C 68 176.400 176.400 176.558 -0.158 25449
10038 1 20 . 1 1 68 68 ASN CA C 68 55.600 55.600 55.618 -0.018 25449
10039 1 20 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.389 3.010 25449
10040 1 20 . 1 1 68 68 ASN H H 68 7.480 7.480 7.857 -0.377 25449
10041 1 20 . 1 1 69 69 MET N N 69 114.900 114.900 118.380 -3.480 25449
10042 1 20 . 1 1 69 69 MET HA H 69 4.760 4.760 4.645 0.115 25449
10043 1 20 . 1 1 69 69 MET C C 69 177.000 177.000 175.878 1.122 25449
10044 1 20 . 1 1 69 69 MET CA C 69 53.500 53.500 54.023 -0.523 25449
10045 1 20 . 1 1 69 69 MET CB C 69 31.100 31.100 30.727 0.372 25449
10046 1 20 . 1 1 69 69 MET H H 69 8.310 8.310 8.165 0.145 25449
10047 1 20 . 1 1 70 70 ASN N N 70 117.700 117.700 117.268 0.432 25449
10048 1 20 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.631 -0.261 25449
10049 1 20 . 1 1 70 70 ASN C C 70 176.400 176.400 175.834 0.566 25449
10050 1 20 . 1 1 70 70 ASN CA C 70 56.100 56.100 54.755 1.345 25449
10051 1 20 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.602 0.098 25449
10052 1 20 . 1 1 70 70 ASN H H 70 7.660 7.660 7.682 -0.022 25449
10053 1 20 . 1 1 71 71 ASN N N 71 121.500 121.500 116.329 5.171 25449
10054 1 20 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.762 -0.252 25449
10055 1 20 . 1 1 71 71 ASN C C 71 173.300 173.300 174.416 -1.116 25449
10056 1 20 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.266 2.534 25449
10057 1 20 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.810 -0.610 25449
10058 1 20 . 1 1 71 71 ASN H H 71 8.600 8.600 7.733 0.867 25449
10059 1 20 . 1 1 72 72 PHE N N 72 122.300 122.300 121.967 0.333 25449
10060 1 20 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.652 -0.462 25449
10061 1 20 . 1 1 72 72 PHE C C 72 174.100 174.100 174.555 -0.455 25449
10062 1 20 . 1 1 72 72 PHE CA C 72 58.700 58.700 55.455 3.245 25449
10063 1 20 . 1 1 72 72 PHE CB C 72 41.300 41.300 39.882 1.418 25449
10064 1 20 . 1 1 72 72 PHE H H 72 7.870 7.870 7.671 0.199 25449
10065 1 20 . 1 1 73 73 GLU N N 73 126.100 126.100 128.316 -2.216 25449
10066 1 20 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.113 0.117 25449
10067 1 20 . 1 1 73 73 GLU C C 73 173.000 173.000 174.371 -1.371 25449
10068 1 20 . 1 1 73 73 GLU CA C 73 55.600 55.600 55.264 0.336 25449
10069 1 20 . 1 1 73 73 GLU CB C 73 30.300 30.300 30.497 -0.197 25449
10070 1 20 . 1 1 73 73 GLU H H 73 7.690 7.690 8.493 -0.803 25449
10071 1 20 . 1 1 74 74 LEU N N 74 128.900 128.900 124.083 4.817 25449
10072 1 20 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.206 0.314 25449
10073 1 20 . 1 1 74 74 LEU C C 74 175.500 175.500 175.721 -0.221 25449
10074 1 20 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.345 -1.045 25449
10075 1 20 . 1 1 74 74 LEU CB C 74 44.600 44.600 43.529 1.071 25449
10076 1 20 . 1 1 74 74 LEU H H 74 8.620 8.620 8.648 -0.028 25449
10077 1 20 . 1 1 75 75 ASN N N 75 126.800 126.800 125.281 1.519 25449
10078 1 20 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.418 -0.208 25449
10079 1 20 . 1 1 75 75 ASN C C 75 175.600 175.600 175.293 0.307 25449
10080 1 20 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.520 0.380 25449
10081 1 20 . 1 1 75 75 ASN CB C 75 36.900 36.900 36.864 0.036 25449
10082 1 20 . 1 1 75 75 ASN H H 75 9.520 9.520 9.210 0.310 25449
10083 1 20 . 1 1 76 76 GLY N N 76 102.300 102.300 102.240 0.060 25449
10084 1 20 . 1 1 76 76 GLY C C 76 173.600 173.600 173.686 -0.086 25449
10085 1 20 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.325 -0.025 25449
10086 1 20 . 1 1 76 76 GLY H H 76 8.500 8.500 8.582 -0.082 25449
10087 1 20 . 1 1 77 77 LYS N N 77 120.800 120.800 118.859 1.941 25449
10088 1 20 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.501 0.069 25449
10089 1 20 . 1 1 77 77 LYS C C 77 175.100 175.100 174.176 0.924 25449
10090 1 20 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.259 -0.059 25449
10091 1 20 . 1 1 77 77 LYS CB C 77 34.500 34.500 35.166 -0.666 25449
10092 1 20 . 1 1 77 77 LYS H H 77 7.580 7.580 7.410 0.170 25449
10093 1 20 . 1 1 78 78 ARG N N 78 123.300 123.300 123.620 -0.320 25449
10094 1 20 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.469 0.011 25449
10095 1 20 . 1 1 78 78 ARG C C 78 176.600 176.600 174.574 2.026 25449
10096 1 20 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.436 -0.136 25449
10097 1 20 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.964 -0.664 25449
10098 1 20 . 1 1 78 78 ARG H H 78 8.580 8.580 8.488 0.092 25449
10099 1 20 . 1 1 79 79 ILE N N 79 120.100 120.100 121.584 -1.484 25449
10100 1 20 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.554 0.146 25449
10101 1 20 . 1 1 79 79 ILE C C 79 175.200 175.200 175.043 0.157 25449
10102 1 20 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.436 0.564 25449
10103 1 20 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.302 0.098 25449
10104 1 20 . 1 1 79 79 ILE H H 79 8.450 8.450 8.213 0.237 25449
10105 1 20 . 1 1 80 80 HIS N N 80 119.900 119.900 125.735 -5.835 25449
10106 1 20 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.355 0.835 25449
10107 1 20 . 1 1 80 80 HIS C C 80 173.600 173.600 174.560 -0.960 25449
10108 1 20 . 1 1 80 80 HIS CA C 80 53.800 53.800 54.503 -0.703 25449
10109 1 20 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.178 1.122 25449
10110 1 20 . 1 1 80 80 HIS H H 80 8.580 8.580 7.854 0.726 25449
10111 1 20 . 1 1 81 81 VAL N N 81 123.800 123.800 125.663 -1.863 25449
10112 1 20 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.392 0.888 25449
10113 1 20 . 1 1 81 81 VAL C C 81 173.600 173.600 175.310 -1.710 25449
10114 1 20 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.059 -0.859 25449
10115 1 20 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.011 2.989 25449
10116 1 20 . 1 1 81 81 VAL H H 81 8.650 8.650 8.385 0.265 25449
10117 1 20 . 1 1 82 82 ASN N N 82 121.100 121.100 123.479 -2.379 25449
10118 1 20 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.065 -0.315 25449
10119 1 20 . 1 1 82 82 ASN C C 82 174.000 174.000 173.760 0.240 25449
10120 1 20 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.495 0.406 25449
10121 1 20 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.291 1.609 25449
10122 1 20 . 1 1 82 82 ASN H H 82 8.890 8.890 8.030 0.860 25449
10123 1 20 . 1 1 83 83 TYR N N 83 120.400 120.400 117.623 2.777 25449
10124 1 20 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.680 0.120 25449
10125 1 20 . 1 1 83 83 TYR C C 83 177.100 177.100 176.050 1.050 25449
10126 1 20 . 1 1 83 83 TYR CA C 83 59.400 59.400 59.926 -0.526 25449
10127 1 20 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.906 -1.206 25449
10128 1 20 . 1 1 83 83 TYR H H 83 8.480 8.480 8.426 0.054 25449
10129 1 20 . 1 1 84 84 SER N N 84 118.000 118.000 112.839 5.161 25449
10130 1 20 . 1 1 84 84 SER HA H 84 4.520 4.520 4.611 -0.091 25449
10131 1 20 . 1 1 84 84 SER C C 84 174.100 174.100 172.798 1.302 25449
10132 1 20 . 1 1 84 84 SER CA C 84 57.700 57.700 57.324 0.376 25449
10133 1 20 . 1 1 84 84 SER CB C 84 64.300 64.300 64.924 -0.624 25449
10134 1 20 . 1 1 84 84 SER H H 84 9.040 9.040 8.607 0.433 25449
10135 1 20 . 1 1 85 85 LYS N N 85 125.300 125.300 122.244 3.056 25449
10136 1 20 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.643 -0.203 25449
10137 1 20 . 1 1 85 85 LYS C C 85 175.600 175.600 176.684 -1.084 25449
10138 1 20 . 1 1 85 85 LYS CA C 85 56.300 56.300 54.672 1.627 25449
10139 1 20 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.738 -0.038 25449
10140 1 20 . 1 1 85 85 LYS H H 85 8.410 8.410 8.372 0.038 25449
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 86 3.137 0.772 3.058 25449
2 1 1 "Average Difference" HA 91 0.389 0.060 0.386 25449
3 1 1 "Average Difference" C 85 1.362 -0.011 1.370 25449
4 1 1 "Average Difference" CA 87 1.115 -0.178 1.107 25449
5 1 1 "Average Difference" CB 82 1.251 -0.061 1.257 25449
6 1 1 "Average Difference" HN 86 0.625 -0.183 0.601 25449
7 1 2 "Average Difference" N 86 3.107 0.397 3.099 25449
8 1 2 "Average Difference" HA 91 0.380 0.068 0.376 25449
9 1 2 "Average Difference" C 85 1.400 -0.035 1.408 25449
10 1 2 "Average Difference" CA 87 1.158 -0.196 1.148 25449
11 1 2 "Average Difference" CB 82 1.280 -0.047 1.287 25449
12 1 2 "Average Difference" HN 86 0.639 -0.208 0.608 25449
13 1 3 "Average Difference" N 86 3.015 0.710 2.947 25449
14 1 3 "Average Difference" HA 91 0.381 0.078 0.375 25449
15 1 3 "Average Difference" C 85 1.429 -0.035 1.437 25449
16 1 3 "Average Difference" CA 87 1.048 -0.281 1.016 25449
17 1 3 "Average Difference" CB 82 1.254 0.028 1.261 25449
18 1 3 "Average Difference" HN 86 0.638 -0.205 0.608 25449
19 1 4 "Average Difference" N 86 3.116 0.711 3.052 25449
20 1 4 "Average Difference" HA 91 0.374 0.061 0.371 25449
21 1 4 "Average Difference" C 85 1.332 -0.010 1.339 25449
22 1 4 "Average Difference" CA 87 1.071 -0.158 1.066 25449
23 1 4 "Average Difference" CB 82 1.249 -0.061 1.255 25449
24 1 4 "Average Difference" HN 86 0.641 -0.206 0.610 25449
25 1 5 "Average Difference" N 86 3.401 0.738 3.340 25449
26 1 5 "Average Difference" HA 91 0.362 0.067 0.358 25449
27 1 5 "Average Difference" C 85 1.363 -0.070 1.369 25449
28 1 5 "Average Difference" CA 87 1.155 -0.232 1.138 25449
29 1 5 "Average Difference" CB 82 1.242 0.088 1.247 25449
30 1 5 "Average Difference" HN 86 0.616 -0.180 0.593 25449
31 1 6 "Average Difference" N 86 3.210 0.718 3.147 25449
32 1 6 "Average Difference" HA 91 0.405 0.072 0.401 25449
33 1 6 "Average Difference" C 85 1.410 -0.023 1.419 25449
34 1 6 "Average Difference" CA 87 1.205 -0.155 1.202 25449
35 1 6 "Average Difference" CB 82 1.280 -0.050 1.287 25449
36 1 6 "Average Difference" HN 86 0.672 -0.226 0.637 25449
37 1 7 "Average Difference" N 86 3.271 0.748 3.203 25449
38 1 7 "Average Difference" HA 91 0.385 0.079 0.379 25449
39 1 7 "Average Difference" C 85 1.352 -0.047 1.359 25449
40 1 7 "Average Difference" CA 87 1.119 -0.217 1.104 25449
41 1 7 "Average Difference" CB 82 1.250 0.004 1.258 25449
42 1 7 "Average Difference" HN 86 0.584 -0.171 0.561 25449
43 1 8 "Average Difference" N 86 3.349 0.832 3.263 25449
44 1 8 "Average Difference" HA 91 0.383 0.055 0.381 25449
45 1 8 "Average Difference" C 85 1.320 -0.020 1.328 25449
46 1 8 "Average Difference" CA 87 1.111 -0.151 1.107 25449
47 1 8 "Average Difference" CB 82 1.302 -0.038 1.309 25449
48 1 8 "Average Difference" HN 86 0.576 -0.169 0.554 25449
49 1 9 "Average Difference" N 86 3.186 0.678 3.131 25449
50 1 9 "Average Difference" HA 91 0.378 0.049 0.377 25449
51 1 9 "Average Difference" C 85 1.372 0.036 1.380 25449
52 1 9 "Average Difference" CA 87 1.070 -0.105 1.071 25449
53 1 9 "Average Difference" CB 82 1.251 -0.047 1.258 25449
54 1 9 "Average Difference" HN 86 0.640 -0.209 0.608 25449
55 1 10 "Average Difference" N 86 3.547 0.650 3.507 25449
56 1 10 "Average Difference" HA 91 0.383 0.050 0.381 25449
57 1 10 "Average Difference" C 85 1.346 -0.011 1.354 25449
58 1 10 "Average Difference" CA 87 1.063 -0.123 1.062 25449
59 1 10 "Average Difference" CB 82 1.249 0.040 1.256 25449
60 1 10 "Average Difference" HN 86 0.590 -0.170 0.568 25449
61 1 11 "Average Difference" N 86 3.039 0.434 3.025 25449
62 1 11 "Average Difference" HA 91 0.395 0.076 0.390 25449
63 1 11 "Average Difference" C 85 1.311 -0.042 1.318 25449
64 1 11 "Average Difference" CA 87 1.077 -0.128 1.075 25449
65 1 11 "Average Difference" CB 82 1.279 0.042 1.286 25449
66 1 11 "Average Difference" HN 86 0.666 -0.203 0.638 25449
67 1 12 "Average Difference" N 86 3.162 0.503 3.140 25449
68 1 12 "Average Difference" HA 91 0.379 0.068 0.375 25449
69 1 12 "Average Difference" C 85 1.351 0.027 1.359 25449
70 1 12 "Average Difference" CA 87 1.173 -0.142 1.171 25449
71 1 12 "Average Difference" CB 82 1.199 -0.035 1.206 25449
72 1 12 "Average Difference" HN 86 0.653 -0.189 0.629 25449
73 1 13 "Average Difference" N 86 3.258 0.645 3.212 25449
74 1 13 "Average Difference" HA 91 0.381 0.055 0.379 25449
75 1 13 "Average Difference" C 85 1.341 0.061 1.348 25449
76 1 13 "Average Difference" CA 87 1.166 -0.055 1.172 25449
77 1 13 "Average Difference" CB 82 1.294 -0.067 1.300 25449
78 1 13 "Average Difference" HN 86 0.617 -0.170 0.597 25449
79 1 14 "Average Difference" N 86 3.247 0.631 3.204 25449
80 1 14 "Average Difference" HA 91 0.407 0.058 0.405 25449
81 1 14 "Average Difference" C 85 1.342 0.035 1.350 25449
82 1 14 "Average Difference" CA 87 1.076 -0.084 1.079 25449
83 1 14 "Average Difference" CB 82 1.314 -0.017 1.322 25449
84 1 14 "Average Difference" HN 86 0.616 -0.210 0.582 25449
85 1 15 "Average Difference" N 86 3.676 0.551 3.656 25449
86 1 15 "Average Difference" HA 91 0.359 0.040 0.359 25449
87 1 15 "Average Difference" C 85 1.311 -0.027 1.318 25449
88 1 15 "Average Difference" CA 87 1.094 -0.090 1.096 25449
89 1 15 "Average Difference" CB 82 1.247 0.051 1.254 25449
90 1 15 "Average Difference" HN 86 0.645 -0.195 0.618 25449
91 1 16 "Average Difference" N 86 3.325 0.373 3.324 25449
92 1 16 "Average Difference" HA 91 0.398 0.080 0.392 25449
93 1 16 "Average Difference" C 85 1.360 -0.059 1.367 25449
94 1 16 "Average Difference" CA 87 1.133 -0.144 1.131 25449
95 1 16 "Average Difference" CB 82 1.290 0.078 1.295 25449
96 1 16 "Average Difference" HN 86 0.619 -0.202 0.588 25449
97 1 17 "Average Difference" N 86 3.416 0.524 3.395 25449
98 1 17 "Average Difference" HA 91 0.386 0.065 0.383 25449
99 1 17 "Average Difference" C 85 1.353 -0.025 1.361 25449
100 1 17 "Average Difference" CA 87 1.071 -0.187 1.061 25449
101 1 17 "Average Difference" CB 82 1.297 0.041 1.304 25449
102 1 17 "Average Difference" HN 86 0.633 -0.223 0.596 25449
103 1 18 "Average Difference" N 86 3.407 0.686 3.357 25449
104 1 18 "Average Difference" HA 91 0.387 0.068 0.383 25449
105 1 18 "Average Difference" C 85 1.404 -0.030 1.412 25449
106 1 18 "Average Difference" CA 87 1.057 -0.168 1.050 25449
107 1 18 "Average Difference" CB 82 1.242 0.054 1.249 25449
108 1 18 "Average Difference" HN 86 0.642 -0.180 0.619 25449
109 1 19 "Average Difference" N 86 3.333 0.637 3.291 25449
110 1 19 "Average Difference" HA 91 0.375 0.055 0.373 25449
111 1 19 "Average Difference" C 85 1.394 0.048 1.401 25449
112 1 19 "Average Difference" CA 87 1.049 -0.180 1.040 25449
113 1 19 "Average Difference" CB 82 1.260 0.034 1.267 25449
114 1 19 "Average Difference" HN 86 0.594 -0.178 0.570 25449
115 1 20 "Average Difference" N 86 3.262 0.289 3.268 25449
116 1 20 "Average Difference" HA 91 0.440 0.054 0.439 25449
117 1 20 "Average Difference" C 85 1.433 -0.009 1.441 25449
118 1 20 "Average Difference" CA 87 1.121 -0.193 1.111 25449
119 1 20 "Average Difference" CB 82 1.248 -0.013 1.256 25449
120 1 20 "Average Difference" HN 86 0.647 -0.220 0.612 25449
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 25449
_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 -1 -1 SER N N -1 115.600 115.600 116.230 -0.630 25449
2 1 . 1 1 -1 -1 SER HA H -1 4.410 4.410 4.605 -0.195 25449
3 1 . 1 1 -1 -1 SER C C -1 172.000 172.000 173.836 -1.836 25449
4 1 . 1 1 -1 -1 SER CA C -1 58.200 58.200 58.191 0.009 25449
5 1 . 1 1 -1 -1 SER CB C -1 63.900 63.900 64.554 -0.654 25449
6 1 . 1 1 -1 -1 SER H H -1 8.670 8.670 8.481 0.189 25449
7 1 . 1 1 0 0 HIS N N 0 121.200 121.200 120.060 1.140 25449
8 1 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.527 0.063 25449
9 1 . 1 1 0 0 HIS C C 0 174.800 174.800 174.049 0.751 25449
10 1 . 1 1 0 0 HIS CA C 0 56.100 56.100 56.370 -0.270 25449
11 1 . 1 1 0 0 HIS CB C 0 29.900 29.900 30.351 -0.451 25449
12 1 . 1 1 0 0 HIS H H 0 8.730 8.730 8.351 0.380 25449
13 1 . 1 1 1 1 MET N N 1 121.800 121.800 121.905 -0.105 25449
14 1 . 1 1 1 1 MET HA H 1 4.370 4.370 4.579 -0.209 25449
15 1 . 1 1 1 1 MET C C 1 176.300 176.300 175.446 0.855 25449
16 1 . 1 1 1 1 MET CA C 1 55.700 55.700 55.063 0.638 25449
17 1 . 1 1 1 1 MET CB C 1 32.800 32.800 33.273 -0.473 25449
18 1 . 1 1 1 1 MET H H 1 8.450 8.450 8.287 0.164 25449
19 1 . 1 1 2 2 SER N N 2 116.700 116.700 118.260 -1.560 25449
20 1 . 1 1 2 2 SER HA H 2 4.370 4.370 4.569 -0.199 25449
21 1 . 1 1 2 2 SER C C 2 174.200 174.200 173.685 0.515 25449
22 1 . 1 1 2 2 SER CA C 2 58.400 58.400 58.251 0.149 25449
23 1 . 1 1 2 2 SER CB C 2 63.800 63.800 63.967 -0.167 25449
24 1 . 1 1 2 2 SER H H 2 8.410 8.410 8.313 0.097 25449
25 1 . 1 1 3 3 ASP N N 3 122.100 122.100 123.593 -1.493 25449
26 1 . 1 1 3 3 ASP HA H 3 4.550 4.550 4.696 -0.146 25449
27 1 . 1 1 3 3 ASP C C 3 176.100 176.100 175.091 1.009 25449
28 1 . 1 1 3 3 ASP CA C 3 54.500 54.500 54.587 -0.088 25449
29 1 . 1 1 3 3 ASP CB C 3 41.200 41.200 41.222 -0.022 25449
30 1 . 1 1 3 3 ASP H H 3 8.340 8.340 8.595 -0.255 25449
31 1 . 1 1 4 4 ASN N N 4 119.100 119.100 118.109 0.991 25449
32 1 . 1 1 4 4 ASN HA H 4 4.580 4.580 4.706 -0.126 25449
33 1 . 1 1 4 4 ASN C C 4 174.900 174.900 174.401 0.499 25449
34 1 . 1 1 4 4 ASN CA C 4 53.700 53.700 52.746 0.954 25449
35 1 . 1 1 4 4 ASN CB C 4 38.900 38.900 39.451 -0.551 25449
36 1 . 1 1 4 4 ASN H H 4 8.420 8.420 7.968 0.452 25449
37 1 . 1 1 5 5 ASN N N 5 118.400 118.400 118.059 0.341 25449
38 1 . 1 1 5 5 ASN HA H 5 4.540 4.540 4.572 -0.032 25449
39 1 . 1 1 5 5 ASN C C 5 173.900 173.900 174.621 -0.721 25449
40 1 . 1 1 5 5 ASN CA C 5 53.200 53.200 53.188 0.013 25449
41 1 . 1 1 5 5 ASN CB C 5 38.700 38.700 38.400 0.300 25449
42 1 . 1 1 5 5 ASN H H 5 8.340 8.340 8.496 -0.156 25449
43 1 . 1 1 6 6 ALA N N 6 122.100 122.100 121.280 0.820 25449
44 1 . 1 1 6 6 ALA HA H 6 2.740 2.740 3.895 -1.155 25449
45 1 . 1 1 6 6 ALA C C 6 177.000 177.000 176.457 0.543 25449
46 1 . 1 1 6 6 ALA CA C 6 52.300 52.300 52.495 -0.195 25449
47 1 . 1 1 6 6 ALA CB C 6 20.000 20.000 18.599 1.401 25449
48 1 . 1 1 6 6 ALA H H 6 7.590 7.590 7.439 0.151 25449
49 1 . 1 1 7 7 THR N N 7 112.700 112.700 117.970 -5.270 25449
50 1 . 1 1 7 7 THR HA H 7 4.390 4.390 4.410 -0.020 25449
51 1 . 1 1 7 7 THR C C 7 171.700 171.700 175.084 -3.384 25449
52 1 . 1 1 7 7 THR CA C 7 59.800 59.800 61.225 -1.425 25449
53 1 . 1 1 7 7 THR CB C 7 70.600 70.600 70.332 0.268 25449
54 1 . 1 1 7 7 THR H H 7 6.840 6.840 7.949 -1.109 25449
55 1 . 1 1 8 8 ASP N N 8 114.600 114.600 122.629 -8.029 25449
56 1 . 1 1 8 8 ASP HA H 8 4.490 4.490 4.301 0.189 25449
57 1 . 1 1 8 8 ASP C C 8 174.300 174.300 174.384 -0.084 25449
58 1 . 1 1 8 8 ASP CA C 8 53.500 53.500 55.782 -2.282 25449
59 1 . 1 1 8 8 ASP CB C 8 39.800 39.800 40.125 -0.325 25449
60 1 . 1 1 8 8 ASP H H 8 8.170 8.170 8.782 -0.612 25449
61 1 . 1 1 9 9 ILE N N 9 117.800 117.800 118.677 -0.877 25449
62 1 . 1 1 9 9 ILE HA H 9 4.810 4.810 4.823 -0.013 25449
63 1 . 1 1 9 9 ILE C C 9 174.700 174.700 174.229 0.471 25449
64 1 . 1 1 9 9 ILE CA C 9 60.600 60.600 60.345 0.255 25449
65 1 . 1 1 9 9 ILE CB C 9 40.300 40.300 40.420 -0.120 25449
66 1 . 1 1 9 9 ILE H H 9 7.890 7.890 7.476 0.414 25449
67 1 . 1 1 10 10 LEU N N 10 125.300 125.300 127.125 -1.825 25449
68 1 . 1 1 10 10 LEU HA H 10 4.960 4.960 4.844 0.116 25449
69 1 . 1 1 10 10 LEU C C 10 176.100 176.100 175.126 0.974 25449
70 1 . 1 1 10 10 LEU CA C 10 52.900 52.900 54.074 -1.174 25449
71 1 . 1 1 10 10 LEU CB C 10 43.100 43.100 44.801 -1.701 25449
72 1 . 1 1 10 10 LEU H H 10 9.370 9.370 8.260 1.110 25449
73 1 . 1 1 11 11 PHE N N 11 124.300 124.300 127.214 -2.914 25449
74 1 . 1 1 11 11 PHE HA H 11 4.670 4.670 4.764 -0.094 25449
75 1 . 1 1 11 11 PHE C C 11 173.400 173.400 173.901 -0.500 25449
76 1 . 1 1 11 11 PHE CA C 11 57.000 57.000 57.217 -0.217 25449
77 1 . 1 1 11 11 PHE CB C 11 40.700 40.700 40.427 0.273 25449
78 1 . 1 1 11 11 PHE H H 11 9.310 9.310 8.495 0.815 25449
79 1 . 1 1 12 12 VAL N N 12 128.300 128.300 126.574 1.726 25449
80 1 . 1 1 12 12 VAL HA H 12 4.420 4.420 4.383 0.037 25449
81 1 . 1 1 12 12 VAL C C 12 173.900 173.900 174.814 -0.914 25449
82 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.357 -0.157 25449
83 1 . 1 1 12 12 VAL CB C 12 33.100 33.100 33.506 -0.406 25449
84 1 . 1 1 12 12 VAL H H 12 8.380 8.380 7.735 0.645 25449
85 1 . 1 1 13 13 GLY N N 13 111.800 111.800 111.676 0.124 25449
86 1 . 1 1 13 13 GLY C C 13 173.800 173.800 173.591 0.209 25449
87 1 . 1 1 13 13 GLY CA C 13 43.400 43.400 43.462 -0.062 25449
88 1 . 1 1 13 13 GLY H H 13 9.150 9.150 7.950 1.200 25449
89 1 . 1 1 14 14 GLY N N 14 107.600 107.600 107.895 -0.295 25449
90 1 . 1 1 14 14 GLY C C 14 175.400 175.400 173.846 1.554 25449
91 1 . 1 1 14 14 GLY CA C 14 45.800 45.800 44.842 0.958 25449
92 1 . 1 1 14 14 GLY H H 14 8.260 8.260 8.270 -0.010 25449
93 1 . 1 1 15 15 ILE N N 15 111.100 111.100 118.932 -7.832 25449
94 1 . 1 1 15 15 ILE HA H 15 4.040 4.040 4.334 -0.294 25449
95 1 . 1 1 15 15 ILE C C 15 175.500 175.500 175.099 0.401 25449
96 1 . 1 1 15 15 ILE CA C 15 60.500 60.500 58.941 1.559 25449
97 1 . 1 1 15 15 ILE CB C 15 38.500 38.500 39.733 -1.233 25449
98 1 . 1 1 15 15 ILE H H 15 6.930 6.930 7.501 -0.571 25449
99 1 . 1 1 16 16 ASP N N 16 122.800 122.800 121.988 0.812 25449
100 1 . 1 1 16 16 ASP HA H 16 4.580 4.580 4.532 0.048 25449
101 1 . 1 1 16 16 ASP C C 16 177.200 177.200 176.826 0.374 25449
102 1 . 1 1 16 16 ASP CA C 16 53.700 53.700 53.955 -0.255 25449
103 1 . 1 1 16 16 ASP CB C 16 42.500 42.500 42.489 0.011 25449
104 1 . 1 1 16 16 ASP H H 16 8.320 8.320 8.595 -0.275 25449
105 1 . 1 1 17 17 GLU N N 17 119.600 119.600 118.948 0.652 25449
106 1 . 1 1 17 17 GLU HA H 17 4.140 4.140 4.221 -0.081 25449
107 1 . 1 1 17 17 GLU C C 17 176.800 176.800 176.363 0.437 25449
108 1 . 1 1 17 17 GLU CA C 17 58.600 58.600 57.362 1.238 25449
109 1 . 1 1 17 17 GLU CB C 17 29.800 29.800 29.039 0.761 25449
110 1 . 1 1 17 17 GLU H H 17 8.830 8.830 8.709 0.121 25449
111 1 . 1 1 18 18 THR N N 18 111.300 111.300 114.829 -3.529 25449
112 1 . 1 1 18 18 THR HA H 18 4.250 4.250 4.488 -0.238 25449
113 1 . 1 1 18 18 THR C C 18 175.200 175.200 174.199 1.001 25449
114 1 . 1 1 18 18 THR CA C 18 62.600 62.600 61.299 1.301 25449
115 1 . 1 1 18 18 THR CB C 18 69.600 69.600 69.191 0.409 25449
116 1 . 1 1 18 18 THR H H 18 8.740 8.740 7.780 0.960 25449
117 1 . 1 1 19 19 ILE N N 19 123.300 123.300 118.832 4.468 25449
118 1 . 1 1 19 19 ILE HA H 19 3.880 3.880 4.396 -0.516 25449
119 1 . 1 1 19 19 ILE C C 19 174.300 174.300 174.348 -0.048 25449
120 1 . 1 1 19 19 ILE CA C 19 59.900 59.900 58.694 1.206 25449
121 1 . 1 1 19 19 ILE CB C 19 35.600 35.600 38.834 -3.234 25449
122 1 . 1 1 19 19 ILE H H 19 7.220 7.220 7.407 -0.187 25449
123 1 . 1 1 20 20 ASP N N 20 125.600 125.600 122.693 2.907 25449
124 1 . 1 1 20 20 ASP HA H 20 4.640 4.640 4.805 -0.165 25449
125 1 . 1 1 20 20 ASP C C 20 175.300 175.300 176.747 -1.447 25449
126 1 . 1 1 20 20 ASP CA C 20 51.500 51.500 53.097 -1.597 25449
127 1 . 1 1 20 20 ASP CB C 20 43.000 43.000 43.668 -0.668 25449
128 1 . 1 1 20 20 ASP H H 20 7.790 7.790 8.155 -0.365 25449
129 1 . 1 1 21 21 GLU N N 21 118.400 118.400 121.478 -3.078 25449
130 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.967 -0.337 25449
131 1 . 1 1 21 21 GLU C C 21 177.900 177.900 178.179 -0.279 25449
132 1 . 1 1 21 21 GLU CA C 21 60.900 60.900 60.172 0.729 25449
133 1 . 1 1 21 21 GLU CB C 21 29.200 29.200 29.738 -0.538 25449
134 1 . 1 1 21 21 GLU H H 21 9.220 9.220 8.896 0.324 25449
135 1 . 1 1 22 22 LYS N N 22 119.700 119.700 117.568 2.132 25449
136 1 . 1 1 22 22 LYS HA H 22 4.060 4.060 4.199 -0.139 25449
137 1 . 1 1 22 22 LYS C C 22 178.500 178.500 178.758 -0.258 25449
138 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.798 0.502 25449
139 1 . 1 1 22 22 LYS CB C 22 31.800 31.800 31.625 0.175 25449
140 1 . 1 1 22 22 LYS H H 22 8.040 8.040 8.431 -0.391 25449
141 1 . 1 1 23 23 SER N N 23 114.900 114.900 116.481 -1.581 25449
142 1 . 1 1 23 23 SER HA H 23 4.300 4.300 4.285 0.015 25449
143 1 . 1 1 23 23 SER C C 23 177.600 177.600 176.341 1.259 25449
144 1 . 1 1 23 23 SER CA C 23 61.800 61.800 61.312 0.488 25449
145 1 . 1 1 23 23 SER CB C 23 62.900 62.900 62.650 0.251 25449
146 1 . 1 1 23 23 SER H H 23 8.240 8.240 8.110 0.130 25449
147 1 . 1 1 24 24 LEU N N 24 118.800 118.800 121.282 -2.482 25449
148 1 . 1 1 24 24 LEU HA H 24 4.180 4.180 4.226 -0.046 25449
149 1 . 1 1 24 24 LEU C C 24 178.700 178.700 178.764 -0.064 25449
150 1 . 1 1 24 24 LEU CA C 24 57.300 57.300 56.750 0.550 25449
151 1 . 1 1 24 24 LEU CB C 24 42.100 42.100 41.581 0.519 25449
152 1 . 1 1 24 24 LEU H H 24 7.750 7.750 7.489 0.261 25449
153 1 . 1 1 25 25 TYR N N 25 123.200 123.200 121.044 2.156 25449
154 1 . 1 1 25 25 TYR HA H 25 3.630 3.630 4.085 -0.455 25449
155 1 . 1 1 25 25 TYR C C 25 178.600 178.600 177.172 1.428 25449
156 1 . 1 1 25 25 TYR CA C 25 63.200 63.200 61.082 2.118 25449
157 1 . 1 1 25 25 TYR CB C 25 38.200 38.200 38.557 -0.357 25449
158 1 . 1 1 25 25 TYR H H 25 8.970 8.970 7.536 1.434 25449
159 1 . 1 1 26 26 ASP N N 26 119.800 119.800 118.672 1.128 25449
160 1 . 1 1 26 26 ASP HA H 26 4.270 4.270 4.519 -0.249 25449
161 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.541 -0.641 25449
162 1 . 1 1 26 26 ASP CA C 26 57.700 57.700 57.572 0.129 25449
163 1 . 1 1 26 26 ASP CB C 26 40.000 40.000 41.101 -1.101 25449
164 1 . 1 1 26 26 ASP H H 26 8.510 8.510 7.801 0.709 25449
165 1 . 1 1 27 27 ILE N N 27 114.700 114.700 119.291 -4.591 25449
166 1 . 1 1 27 27 ILE HA H 27 3.960 3.960 3.886 0.074 25449
167 1 . 1 1 27 27 ILE C C 27 177.700 177.700 177.827 -0.127 25449
168 1 . 1 1 27 27 ILE CA C 27 63.300 63.300 64.799 -1.499 25449
169 1 . 1 1 27 27 ILE CB C 27 39.000 39.000 38.335 0.665 25449
170 1 . 1 1 27 27 ILE H H 27 7.320 7.320 7.621 -0.301 25449
171 1 . 1 1 28 28 PHE N N 28 116.900 116.900 116.751 0.149 25449
172 1 . 1 1 28 28 PHE HA H 28 4.370 4.370 4.549 -0.179 25449
173 1 . 1 1 28 28 PHE C C 28 179.900 179.900 176.774 3.126 25449
174 1 . 1 1 28 28 PHE CA C 28 62.300 62.300 59.000 3.301 25449
175 1 . 1 1 28 28 PHE CB C 28 37.300 37.300 38.701 -1.401 25449
176 1 . 1 1 28 28 PHE H H 28 8.650 8.650 8.125 0.525 25449
177 1 . 1 1 29 29 SER N N 29 120.100 120.100 112.655 7.445 25449
178 1 . 1 1 29 29 SER HA H 29 4.410 4.410 4.694 -0.284 25449
179 1 . 1 1 29 29 SER C C 29 175.600 175.600 175.432 0.168 25449
180 1 . 1 1 29 29 SER CA C 29 61.300 61.300 59.234 2.066 25449
181 1 . 1 1 29 29 SER CB C 29 62.200 62.200 63.155 -0.955 25449
182 1 . 1 1 29 29 SER H H 29 8.880 8.880 7.707 1.173 25449
183 1 . 1 1 30 30 SER N N 30 116.200 116.200 117.335 -1.135 25449
184 1 . 1 1 30 30 SER HA H 30 3.940 3.940 4.282 -0.342 25449
185 1 . 1 1 30 30 SER C C 30 174.900 174.900 175.552 -0.652 25449
186 1 . 1 1 30 30 SER CA C 30 60.400 60.400 60.762 -0.361 25449
187 1 . 1 1 30 30 SER CB C 30 62.400 62.400 63.207 -0.807 25449
188 1 . 1 1 30 30 SER H H 30 7.270 7.270 7.986 -0.716 25449
189 1 . 1 1 31 31 PHE N N 31 115.600 115.600 121.593 -5.994 25449
190 1 . 1 1 31 31 PHE HA H 31 4.280 4.280 4.591 -0.311 25449
191 1 . 1 1 31 31 PHE C C 31 174.100 174.100 176.240 -2.140 25449
192 1 . 1 1 31 31 PHE CA C 31 58.900 58.900 59.096 -0.196 25449
193 1 . 1 1 31 31 PHE CB C 31 39.300 39.300 40.257 -0.957 25449
194 1 . 1 1 31 31 PHE H H 31 6.980 6.980 7.924 -0.944 25449
195 1 . 1 1 32 32 GLY N N 32 104.900 104.900 107.221 -2.322 25449
196 1 . 1 1 32 32 GLY C C 32 171.600 171.600 172.739 -1.139 25449
197 1 . 1 1 32 32 GLY CA C 32 44.300 44.300 44.484 -0.184 25449
198 1 . 1 1 32 32 GLY H H 32 7.300 7.300 7.625 -0.325 25449
199 1 . 1 1 33 33 ASP N N 33 116.100 116.100 126.117 -10.017 25449
200 1 . 1 1 33 33 ASP HA H 33 4.510 4.510 4.503 0.007 25449
201 1 . 1 1 33 33 ASP C C 33 176.800 176.800 174.614 2.186 25449
202 1 . 1 1 33 33 ASP CA C 33 55.400 55.400 55.510 -0.110 25449
203 1 . 1 1 33 33 ASP CB C 33 40.600 40.600 42.239 -1.639 25449
204 1 . 1 1 33 33 ASP H H 33 8.120 8.120 8.423 -0.303 25449
205 1 . 1 1 34 34 ILE N N 34 126.400 126.400 119.071 7.329 25449
206 1 . 1 1 34 34 ILE HA H 34 3.850 3.850 4.109 -0.259 25449
207 1 . 1 1 34 34 ILE C C 34 176.200 176.200 176.202 -0.002 25449
208 1 . 1 1 34 34 ILE CA C 34 60.200 60.200 58.288 1.912 25449
209 1 . 1 1 34 34 ILE CB C 34 39.900 39.900 39.166 0.734 25449
210 1 . 1 1 34 34 ILE H H 34 8.670 8.670 8.093 0.577 25449
211 1 . 1 1 35 35 ARG N N 35 128.900 128.900 126.397 2.503 25449
212 1 . 1 1 35 35 ARG HA H 35 4.160 4.160 4.188 -0.029 25449
213 1 . 1 1 35 35 ARG C C 35 175.600 175.600 176.143 -0.543 25449
214 1 . 1 1 35 35 ARG CA C 35 57.500 57.500 57.927 -0.427 25449
215 1 . 1 1 35 35 ARG CB C 35 31.700 31.700 31.109 0.591 25449
216 1 . 1 1 35 35 ARG H H 35 9.320 9.320 8.468 0.852 25449
217 1 . 1 1 36 36 ASN N N 36 114.300 114.300 114.628 -0.329 25449
218 1 . 1 1 36 36 ASN HA H 36 4.710 4.710 4.796 -0.087 25449
219 1 . 1 1 36 36 ASN C C 36 172.000 172.000 172.878 -0.878 25449
220 1 . 1 1 36 36 ASN CA C 36 53.500 53.500 53.221 0.279 25449
221 1 . 1 1 36 36 ASN CB C 36 42.600 42.600 40.646 1.954 25449
222 1 . 1 1 36 36 ASN H H 36 7.620 7.620 8.083 -0.463 25449
223 1 . 1 1 37 37 ILE N N 37 122.700 122.700 122.428 0.272 25449
224 1 . 1 1 37 37 ILE HA H 37 4.770 4.770 4.409 0.361 25449
225 1 . 1 1 37 37 ILE C C 37 173.300 173.300 174.519 -1.219 25449
226 1 . 1 1 37 37 ILE CA C 37 60.600 60.600 61.161 -0.561 25449
227 1 . 1 1 37 37 ILE CB C 37 41.200 41.200 40.539 0.661 25449
228 1 . 1 1 37 37 ILE H H 37 8.030 8.030 8.495 -0.465 25449
229 1 . 1 1 38 38 GLU N N 38 126.700 126.700 128.953 -2.253 25449
230 1 . 1 1 38 38 GLU HA H 38 4.660 4.660 4.654 0.006 25449
231 1 . 1 1 38 38 GLU C C 38 174.800 174.800 174.292 0.508 25449
232 1 . 1 1 38 38 GLU CA C 38 54.400 54.400 55.540 -1.140 25449
233 1 . 1 1 38 38 GLU CB C 38 33.400 33.400 31.218 2.182 25449
234 1 . 1 1 38 38 GLU H H 38 8.870 8.870 8.567 0.303 25449
235 1 . 1 1 39 39 VAL N N 39 126.400 126.400 126.870 -0.470 25449
236 1 . 1 1 39 39 VAL CA C 39 58.700 58.700 58.740 -0.040 25449
237 1 . 1 1 39 39 VAL CB C 39 32.600 32.600 33.253 -0.653 25449
238 1 . 1 1 39 39 VAL H H 39 8.970 8.970 8.365 0.605 25449
239 1 . 1 1 40 40 PRO HA H 40 4.230 4.230 4.402 -0.172 25449
240 1 . 1 1 40 40 PRO C C 40 176.300 176.300 175.247 1.053 25449
241 1 . 1 1 40 40 PRO CA C 40 63.300 63.300 62.874 0.426 25449
242 1 . 1 1 40 40 PRO CB C 40 32.500 32.500 32.163 0.337 25449
243 1 . 1 1 41 41 LEU N N 41 120.700 120.700 123.303 -2.603 25449
244 1 . 1 1 41 41 LEU HA H 41 4.520 4.520 4.626 -0.106 25449
245 1 . 1 1 41 41 LEU C C 41 177.900 177.900 175.838 2.062 25449
246 1 . 1 1 41 41 LEU CA C 41 53.100 53.100 53.351 -0.251 25449
247 1 . 1 1 41 41 LEU CB C 41 44.300 44.300 45.187 -0.887 25449
248 1 . 1 1 41 41 LEU H H 41 8.520 8.520 8.185 0.335 25449
249 1 . 1 1 42 42 ASN N N 42 121.400 121.400 122.049 -0.649 25449
250 1 . 1 1 42 42 ASN HA H 42 4.560 4.560 4.899 -0.340 25449
251 1 . 1 1 42 42 ASN C C 42 176.700 176.700 176.238 0.462 25449
252 1 . 1 1 42 42 ASN CA C 42 52.900 52.900 52.453 0.447 25449
253 1 . 1 1 42 42 ASN CB C 42 39.000 39.000 40.123 -1.124 25449
254 1 . 1 1 42 42 ASN H H 42 8.740 8.740 8.365 0.375 25449
255 1 . 1 1 43 43 MET N N 43 125.500 125.500 124.092 1.408 25449
256 1 . 1 1 43 43 MET HA H 43 4.210 4.210 4.407 -0.197 25449
257 1 . 1 1 43 43 MET C C 43 177.200 177.200 176.624 0.576 25449
258 1 . 1 1 43 43 MET CA C 43 57.100 57.100 57.263 -0.163 25449
259 1 . 1 1 43 43 MET CB C 43 31.600 31.600 32.259 -0.659 25449
260 1 . 1 1 43 43 MET H H 43 9.080 9.080 8.923 0.157 25449
261 1 . 1 1 44 44 THR N N 44 114.400 114.400 113.914 0.486 25449
262 1 . 1 1 44 44 THR HA H 44 4.160 4.160 4.321 -0.161 25449
263 1 . 1 1 44 44 THR C C 44 175.900 175.900 175.797 0.103 25449
264 1 . 1 1 44 44 THR CA C 44 65.200 65.200 64.677 0.523 25449
265 1 . 1 1 44 44 THR CB C 44 68.700 68.700 69.195 -0.495 25449
266 1 . 1 1 44 44 THR H H 44 8.590 8.590 7.982 0.608 25449
267 1 . 1 1 45 45 THR N N 45 110.300 110.300 113.733 -3.433 25449
268 1 . 1 1 45 45 THR HA H 45 4.160 4.160 4.407 -0.247 25449
269 1 . 1 1 45 45 THR C C 45 175.500 175.500 173.713 1.787 25449
270 1 . 1 1 45 45 THR CA C 45 62.000 62.000 61.392 0.608 25449
271 1 . 1 1 45 45 THR CB C 45 70.000 70.000 69.671 0.329 25449
272 1 . 1 1 45 45 THR H H 45 7.610 7.610 7.685 -0.075 25449
273 1 . 1 1 46 46 LYS N N 46 115.700 115.700 121.122 -5.422 25449
274 1 . 1 1 46 46 LYS HA H 46 3.720 3.720 3.923 -0.203 25449
275 1 . 1 1 46 46 LYS C C 46 174.600 174.600 174.358 0.242 25449
276 1 . 1 1 46 46 LYS CA C 46 57.600 57.600 57.362 0.238 25449
277 1 . 1 1 46 46 LYS CB C 46 28.900 28.900 30.867 -1.967 25449
278 1 . 1 1 46 46 LYS H H 46 8.460 8.460 8.050 0.410 25449
279 1 . 1 1 47 47 LYS N N 47 117.100 117.100 119.104 -2.004 25449
280 1 . 1 1 47 47 LYS HA H 47 4.680 4.680 4.425 0.255 25449
281 1 . 1 1 47 47 LYS C C 47 176.300 176.300 176.726 -0.426 25449
282 1 . 1 1 47 47 LYS CA C 47 54.000 54.000 54.911 -0.911 25449
283 1 . 1 1 47 47 LYS CB C 47 35.100 35.100 33.735 1.365 25449
284 1 . 1 1 47 47 LYS H H 47 7.610 7.610 7.765 -0.155 25449
285 1 . 1 1 48 48 ASN N N 48 117.700 117.700 120.240 -2.540 25449
286 1 . 1 1 48 48 ASN HA H 48 4.700 4.700 4.792 -0.092 25449
287 1 . 1 1 48 48 ASN C C 48 174.000 174.000 175.494 -1.494 25449
288 1 . 1 1 48 48 ASN CA C 48 53.600 53.600 52.553 1.047 25449
289 1 . 1 1 48 48 ASN CB C 48 37.700 37.700 39.117 -1.417 25449
290 1 . 1 1 48 48 ASN H H 48 8.740 8.740 8.766 -0.026 25449
291 1 . 1 1 49 49 ARG N N 49 116.800 116.800 116.722 0.078 25449
292 1 . 1 1 49 49 ARG HA H 49 4.350 4.350 4.007 0.343 25449
293 1 . 1 1 49 49 ARG C C 49 177.500 177.500 176.464 1.036 25449
294 1 . 1 1 49 49 ARG CA C 49 55.600 55.600 56.538 -0.938 25449
295 1 . 1 1 49 49 ARG CB C 49 31.600 31.600 27.128 4.473 25449
296 1 . 1 1 49 49 ARG H H 49 8.530 8.530 8.330 0.200 25449
297 1 . 1 1 50 50 GLY N N 50 108.300 108.300 106.087 2.213 25449
298 1 . 1 1 50 50 GLY C C 50 173.500 173.500 173.334 0.166 25449
299 1 . 1 1 50 50 GLY CA C 50 45.800 45.800 45.382 0.418 25449
300 1 . 1 1 50 50 GLY H H 50 8.900 8.900 8.779 0.121 25449
301 1 . 1 1 51 51 PHE N N 51 113.900 113.900 116.307 -2.407 25449
302 1 . 1 1 51 51 PHE HA H 51 5.470 5.470 4.696 0.774 25449
303 1 . 1 1 51 51 PHE C C 51 172.000 172.000 172.212 -0.212 25449
304 1 . 1 1 51 51 PHE CA C 51 55.000 55.000 55.879 -0.879 25449
305 1 . 1 1 51 51 PHE CB C 51 42.700 42.700 40.681 2.019 25449
306 1 . 1 1 51 51 PHE H H 51 6.910 6.910 7.331 -0.421 25449
307 1 . 1 1 52 52 ALA N N 52 120.500 120.500 125.083 -4.583 25449
308 1 . 1 1 52 52 ALA HA H 52 4.630 4.630 4.331 0.299 25449
309 1 . 1 1 52 52 ALA C C 52 173.900 173.900 174.578 -0.678 25449
310 1 . 1 1 52 52 ALA CA C 52 50.200 50.200 50.703 -0.503 25449
311 1 . 1 1 52 52 ALA CB C 52 25.100 25.100 22.162 2.938 25449
312 1 . 1 1 52 52 ALA H H 52 8.810 8.810 7.713 1.097 25449
313 1 . 1 1 53 53 PHE N N 53 115.000 115.000 119.584 -4.584 25449
314 1 . 1 1 53 53 PHE HA H 53 5.660 5.660 4.813 0.847 25449
315 1 . 1 1 53 53 PHE C C 53 175.600 175.600 174.922 0.678 25449
316 1 . 1 1 53 53 PHE CA C 53 56.200 56.200 56.685 -0.485 25449
317 1 . 1 1 53 53 PHE CB C 53 42.400 42.400 41.524 0.876 25449
318 1 . 1 1 53 53 PHE H H 53 8.730 8.730 8.115 0.615 25449
319 1 . 1 1 54 54 VAL N N 54 122.300 122.300 121.689 0.611 25449
320 1 . 1 1 54 54 VAL HA H 54 4.100 4.100 4.280 -0.180 25449
321 1 . 1 1 54 54 VAL C C 54 173.000 173.000 174.171 -1.171 25449
322 1 . 1 1 54 54 VAL CA C 54 61.700 61.700 61.575 0.125 25449
323 1 . 1 1 54 54 VAL CB C 54 34.400 34.400 34.452 -0.052 25449
324 1 . 1 1 54 54 VAL H H 54 9.060 9.060 8.413 0.647 25449
325 1 . 1 1 55 55 GLU N N 55 127.300 127.300 126.893 0.407 25449
326 1 . 1 1 55 55 GLU HA H 55 5.160 5.160 4.772 0.388 25449
327 1 . 1 1 55 55 GLU C C 55 175.900 175.900 175.602 0.298 25449
328 1 . 1 1 55 55 GLU CA C 55 54.000 54.000 54.815 -0.815 25449
329 1 . 1 1 55 55 GLU CB C 55 31.700 31.700 31.887 -0.187 25449
330 1 . 1 1 55 55 GLU H H 55 8.860 8.860 8.244 0.616 25449
331 1 . 1 1 56 56 TYR N N 56 127.500 127.500 123.618 3.882 25449
332 1 . 1 1 56 56 TYR HA H 56 4.520 4.520 4.499 0.021 25449
333 1 . 1 1 56 56 TYR C C 56 175.000 175.000 176.205 -1.205 25449
334 1 . 1 1 56 56 TYR CA C 56 59.700 59.700 58.917 0.783 25449
335 1 . 1 1 56 56 TYR CB C 56 40.200 40.200 40.408 -0.208 25449
336 1 . 1 1 56 56 TYR H H 56 9.470 9.470 8.336 1.134 25449
337 1 . 1 1 57 57 VAL N N 57 119.200 119.200 119.537 -0.337 25449
338 1 . 1 1 57 57 VAL HA H 57 3.570 3.570 3.983 -0.413 25449
339 1 . 1 1 57 57 VAL C C 57 177.000 177.000 175.719 1.281 25449
340 1 . 1 1 57 57 VAL CA C 57 66.300 66.300 64.423 1.877 25449
341 1 . 1 1 57 57 VAL CB C 57 32.000 32.000 32.392 -0.392 25449
342 1 . 1 1 57 57 VAL H H 57 7.800 7.800 8.079 -0.279 25449
343 1 . 1 1 58 58 GLU N N 58 118.500 118.500 118.155 0.345 25449
344 1 . 1 1 58 58 GLU HA H 58 4.780 4.780 4.600 0.180 25449
345 1 . 1 1 58 58 GLU C C 58 177.500 177.500 176.869 0.631 25449
346 1 . 1 1 58 58 GLU CA C 58 53.800 53.800 55.301 -1.501 25449
347 1 . 1 1 58 58 GLU CB C 58 30.500 30.500 30.915 -0.415 25449
348 1 . 1 1 58 58 GLU H H 58 9.530 9.530 8.091 1.439 25449
349 1 . 1 1 59 59 VAL N N 59 125.200 125.200 123.725 1.475 25449
350 1 . 1 1 59 59 VAL HA H 59 3.530 3.530 3.893 -0.363 25449
351 1 . 1 1 59 59 VAL C C 59 177.600 177.600 176.899 0.701 25449
352 1 . 1 1 59 59 VAL CA C 59 66.100 66.100 65.109 0.991 25449
353 1 . 1 1 59 59 VAL CB C 59 31.700 31.700 32.291 -0.591 25449
354 1 . 1 1 59 59 VAL H H 59 8.650 8.650 8.653 -0.003 25449
355 1 . 1 1 60 60 ASP N N 60 118.500 118.500 120.152 -1.652 25449
356 1 . 1 1 60 60 ASP HA H 60 4.220 4.220 4.429 -0.209 25449
357 1 . 1 1 60 60 ASP C C 60 178.300 178.300 177.772 0.528 25449
358 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.709 -0.109 25449
359 1 . 1 1 60 60 ASP CB C 60 40.500 40.500 40.427 0.073 25449
360 1 . 1 1 60 60 ASP H H 60 8.970 8.970 8.591 0.379 25449
361 1 . 1 1 61 61 ASP N N 61 119.900 119.900 119.900 -0.000 25449
362 1 . 1 1 61 61 ASP HA H 61 4.360 4.360 4.439 -0.079 25449
363 1 . 1 1 61 61 ASP C C 61 176.800 176.800 178.236 -1.436 25449
364 1 . 1 1 61 61 ASP CA C 61 56.900 56.900 57.222 -0.322 25449
365 1 . 1 1 61 61 ASP CB C 61 39.800 39.800 40.530 -0.730 25449
366 1 . 1 1 61 61 ASP H H 61 6.920 6.920 8.546 -1.626 25449
367 1 . 1 1 62 62 ALA N N 62 122.700 122.700 122.442 0.258 25449
368 1 . 1 1 62 62 ALA HA H 62 3.380 3.380 3.299 0.081 25449
369 1 . 1 1 62 62 ALA C C 62 171.600 171.600 179.238 -7.638 25449
370 1 . 1 1 62 62 ALA CA C 62 55.100 55.100 55.049 0.051 25449
371 1 . 1 1 62 62 ALA CB C 62 18.200 18.200 18.278 -0.078 25449
372 1 . 1 1 62 62 ALA H H 62 6.910 6.910 7.714 -0.804 25449
373 1 . 1 1 63 63 LYS N N 63 116.200 116.200 118.186 -1.986 25449
374 1 . 1 1 63 63 LYS HA H 63 4.190 4.190 3.912 0.279 25449
375 1 . 1 1 63 63 LYS C C 63 179.200 179.200 179.090 0.110 25449
376 1 . 1 1 63 63 LYS CA C 63 59.300 59.300 59.520 -0.220 25449
377 1 . 1 1 63 63 LYS CB C 63 32.600 32.600 32.031 0.569 25449
378 1 . 1 1 63 63 LYS H H 63 8.020 8.020 7.697 0.323 25449
379 1 . 1 1 64 64 HIS N N 64 117.400 117.400 117.535 -0.135 25449
380 1 . 1 1 64 64 HIS HA H 64 4.310 4.310 4.354 -0.044 25449
381 1 . 1 1 64 64 HIS CA C 64 58.000 58.000 58.837 -0.837 25449
382 1 . 1 1 64 64 HIS CB C 64 29.100 29.100 29.890 -0.790 25449
383 1 . 1 1 64 64 HIS H H 64 7.460 7.460 7.543 -0.083 25449
384 1 . 1 1 65 65 ALA N N 65 123.700 123.700 122.231 1.469 25449
385 1 . 1 1 65 65 ALA HA H 65 2.170 2.170 3.946 -1.776 25449
386 1 . 1 1 65 65 ALA C C 65 178.700 178.700 179.098 -0.398 25449
387 1 . 1 1 65 65 ALA CA C 65 54.800 54.800 54.762 0.038 25449
388 1 . 1 1 65 65 ALA CB C 65 19.400 19.400 18.562 0.838 25449
389 1 . 1 1 65 65 ALA H H 65 8.190 8.190 7.695 0.495 25449
390 1 . 1 1 66 66 LEU N N 66 119.800 119.800 118.552 1.248 25449
391 1 . 1 1 66 66 LEU HA H 66 3.430 3.430 4.054 -0.624 25449
392 1 . 1 1 66 66 LEU C C 66 178.700 178.700 178.816 -0.116 25449
393 1 . 1 1 66 66 LEU CA C 66 59.700 59.700 57.622 2.078 25449
394 1 . 1 1 66 66 LEU CB C 66 41.100 41.100 41.636 -0.535 25449
395 1 . 1 1 66 66 LEU H H 66 8.340 8.340 7.462 0.878 25449
396 1 . 1 1 67 67 TYR N N 67 116.200 116.200 118.783 -2.583 25449
397 1 . 1 1 67 67 TYR HA H 67 4.010 4.010 4.156 -0.146 25449
398 1 . 1 1 67 67 TYR C C 67 177.700 177.700 177.456 0.244 25449
399 1 . 1 1 67 67 TYR CA C 67 60.500 60.500 61.847 -1.347 25449
400 1 . 1 1 67 67 TYR CB C 67 38.100 38.100 38.421 -0.321 25449
401 1 . 1 1 67 67 TYR H H 67 7.760 7.760 7.765 -0.005 25449
402 1 . 1 1 68 68 ASN N N 68 113.900 113.900 115.880 -1.980 25449
403 1 . 1 1 68 68 ASN HA H 68 4.430 4.430 4.614 -0.184 25449
404 1 . 1 1 68 68 ASN C C 68 176.400 176.400 175.980 0.420 25449
405 1 . 1 1 68 68 ASN CA C 68 55.600 55.600 54.674 0.925 25449
406 1 . 1 1 68 68 ASN CB C 68 41.400 41.400 38.597 2.803 25449
407 1 . 1 1 68 68 ASN H H 68 7.480 7.480 7.822 -0.342 25449
408 1 . 1 1 69 69 MET N N 69 114.900 114.900 116.221 -1.321 25449
409 1 . 1 1 69 69 MET HA H 69 4.760 4.760 4.556 0.204 25449
410 1 . 1 1 69 69 MET C C 69 177.000 177.000 176.589 0.411 25449
411 1 . 1 1 69 69 MET CA C 69 53.500 53.500 54.198 -0.698 25449
412 1 . 1 1 69 69 MET CB C 69 31.100 31.100 32.365 -1.265 25449
413 1 . 1 1 69 69 MET H H 69 8.310 8.310 7.563 0.747 25449
414 1 . 1 1 70 70 ASN N N 70 117.700 117.700 118.514 -0.814 25449
415 1 . 1 1 70 70 ASN HA H 70 4.370 4.370 4.582 -0.212 25449
416 1 . 1 1 70 70 ASN C C 70 176.400 176.400 175.920 0.480 25449
417 1 . 1 1 70 70 ASN CA C 70 56.100 56.100 55.327 0.773 25449
418 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.355 0.345 25449
419 1 . 1 1 70 70 ASN H H 70 7.660 7.660 7.891 -0.231 25449
420 1 . 1 1 71 71 ASN N N 71 121.500 121.500 116.523 4.977 25449
421 1 . 1 1 71 71 ASN HA H 71 4.510 4.510 4.672 -0.163 25449
422 1 . 1 1 71 71 ASN C C 71 173.300 173.300 174.682 -1.382 25449
423 1 . 1 1 71 71 ASN CA C 71 55.800 55.800 53.029 2.771 25449
424 1 . 1 1 71 71 ASN CB C 71 38.200 38.200 38.417 -0.217 25449
425 1 . 1 1 71 71 ASN H H 71 8.600 8.600 8.235 0.365 25449
426 1 . 1 1 72 72 PHE N N 72 122.300 122.300 122.100 0.200 25449
427 1 . 1 1 72 72 PHE HA H 72 4.190 4.190 4.531 -0.341 25449
428 1 . 1 1 72 72 PHE C C 72 174.100 174.100 174.000 0.100 25449
429 1 . 1 1 72 72 PHE CA C 72 58.700 58.700 57.140 1.560 25449
430 1 . 1 1 72 72 PHE CB C 72 41.300 41.300 40.635 0.665 25449
431 1 . 1 1 72 72 PHE H H 72 7.870 7.870 7.579 0.291 25449
432 1 . 1 1 73 73 GLU N N 73 126.100 126.100 127.585 -1.485 25449
433 1 . 1 1 73 73 GLU HA H 73 4.230 4.230 4.405 -0.175 25449
434 1 . 1 1 73 73 GLU C C 73 173.000 173.000 174.270 -1.270 25449
435 1 . 1 1 73 73 GLU CA C 73 55.600 55.600 54.424 1.176 25449
436 1 . 1 1 73 73 GLU CB C 73 30.300 30.300 31.527 -1.228 25449
437 1 . 1 1 73 73 GLU H H 73 7.690 7.690 8.104 -0.414 25449
438 1 . 1 1 74 74 LEU N N 74 128.900 128.900 125.395 3.505 25449
439 1 . 1 1 74 74 LEU HA H 74 4.520 4.520 4.275 0.245 25449
440 1 . 1 1 74 74 LEU C C 74 175.500 175.500 175.804 -0.304 25449
441 1 . 1 1 74 74 LEU CA C 74 53.300 53.300 54.480 -1.180 25449
442 1 . 1 1 74 74 LEU CB C 74 44.600 44.600 42.964 1.636 25449
443 1 . 1 1 74 74 LEU H H 74 8.620 8.620 8.169 0.451 25449
444 1 . 1 1 75 75 ASN N N 75 126.800 126.800 122.609 4.191 25449
445 1 . 1 1 75 75 ASN HA H 75 4.210 4.210 4.460 -0.250 25449
446 1 . 1 1 75 75 ASN C C 75 175.600 175.600 175.580 0.020 25449
447 1 . 1 1 75 75 ASN CA C 75 53.900 53.900 53.717 0.183 25449
448 1 . 1 1 75 75 ASN CB C 75 36.900 36.900 37.209 -0.309 25449
449 1 . 1 1 75 75 ASN H H 75 9.520 9.520 9.006 0.513 25449
450 1 . 1 1 76 76 GLY N N 76 102.300 102.300 102.701 -0.401 25449
451 1 . 1 1 76 76 GLY C C 76 173.600 173.600 173.527 0.073 25449
452 1 . 1 1 76 76 GLY CA C 76 45.300 45.300 45.334 -0.034 25449
453 1 . 1 1 76 76 GLY H H 76 8.500 8.500 8.456 0.044 25449
454 1 . 1 1 77 77 LYS N N 77 120.800 120.800 118.765 2.035 25449
455 1 . 1 1 77 77 LYS HA H 77 4.570 4.570 4.489 0.081 25449
456 1 . 1 1 77 77 LYS C C 77 175.100 175.100 174.564 0.536 25449
457 1 . 1 1 77 77 LYS CA C 77 54.200 54.200 54.587 -0.387 25449
458 1 . 1 1 77 77 LYS CB C 77 34.500 34.500 34.813 -0.313 25449
459 1 . 1 1 77 77 LYS H H 77 7.580 7.580 7.444 0.136 25449
460 1 . 1 1 78 78 ARG N N 78 123.300 123.300 124.142 -0.843 25449
461 1 . 1 1 78 78 ARG HA H 78 4.480 4.480 4.438 0.042 25449
462 1 . 1 1 78 78 ARG C C 78 176.600 176.600 175.654 0.946 25449
463 1 . 1 1 78 78 ARG CA C 78 55.300 55.300 55.102 0.198 25449
464 1 . 1 1 78 78 ARG CB C 78 30.300 30.300 30.845 -0.545 25449
465 1 . 1 1 78 78 ARG H H 78 8.580 8.580 8.466 0.114 25449
466 1 . 1 1 79 79 ILE N N 79 120.100 120.100 122.816 -2.716 25449
467 1 . 1 1 79 79 ILE HA H 79 4.700 4.700 4.407 0.293 25449
468 1 . 1 1 79 79 ILE C C 79 175.200 175.200 174.993 0.207 25449
469 1 . 1 1 79 79 ILE CA C 79 60.000 60.000 59.999 0.001 25449
470 1 . 1 1 79 79 ILE CB C 79 39.400 39.400 39.160 0.240 25449
471 1 . 1 1 79 79 ILE H H 79 8.450 8.450 8.396 0.054 25449
472 1 . 1 1 80 80 HIS N N 80 119.900 119.900 125.281 -5.381 25449
473 1 . 1 1 80 80 HIS HA H 80 5.190 5.190 4.675 0.515 25449
474 1 . 1 1 80 80 HIS C C 80 173.600 173.600 174.371 -0.771 25449
475 1 . 1 1 80 80 HIS CA C 80 53.800 53.800 55.469 -1.669 25449
476 1 . 1 1 80 80 HIS CB C 80 31.300 31.300 30.643 0.657 25449
477 1 . 1 1 80 80 HIS H H 80 8.580 8.580 8.256 0.324 25449
478 1 . 1 1 81 81 VAL N N 81 123.800 123.800 126.073 -2.273 25449
479 1 . 1 1 81 81 VAL HA H 81 5.280 5.280 4.664 0.616 25449
480 1 . 1 1 81 81 VAL C C 81 173.600 173.600 174.805 -1.205 25449
481 1 . 1 1 81 81 VAL CA C 81 60.200 60.200 61.216 -1.016 25449
482 1 . 1 1 81 81 VAL CB C 81 35.000 35.000 32.984 2.016 25449
483 1 . 1 1 81 81 VAL H H 81 8.650 8.650 8.460 0.190 25449
484 1 . 1 1 82 82 ASN N N 82 121.100 121.100 123.810 -2.710 25449
485 1 . 1 1 82 82 ASN HA H 82 4.750 4.750 5.097 -0.347 25449
486 1 . 1 1 82 82 ASN C C 82 174.000 174.000 173.301 0.699 25449
487 1 . 1 1 82 82 ASN CA C 82 51.900 51.900 51.859 0.041 25449
488 1 . 1 1 82 82 ASN CB C 82 42.900 42.900 41.724 1.177 25449
489 1 . 1 1 82 82 ASN H H 82 8.890 8.890 8.292 0.598 25449
490 1 . 1 1 83 83 TYR N N 83 120.400 120.400 120.115 0.285 25449
491 1 . 1 1 83 83 TYR HA H 83 4.800 4.800 4.786 0.014 25449
492 1 . 1 1 83 83 TYR C C 83 177.100 177.100 175.196 1.904 25449
493 1 . 1 1 83 83 TYR CA C 83 59.400 59.400 58.484 0.916 25449
494 1 . 1 1 83 83 TYR CB C 83 38.700 38.700 39.745 -1.045 25449
495 1 . 1 1 83 83 TYR H H 83 8.480 8.480 8.558 -0.078 25449
496 1 . 1 1 84 84 SER N N 84 118.000 118.000 117.028 0.972 25449
497 1 . 1 1 84 84 SER HA H 84 4.520 4.520 4.428 0.092 25449
498 1 . 1 1 84 84 SER C C 84 174.100 174.100 172.509 1.591 25449
499 1 . 1 1 84 84 SER CA C 84 57.700 57.700 56.746 0.954 25449
500 1 . 1 1 84 84 SER CB C 84 64.300 64.300 65.322 -1.022 25449
501 1 . 1 1 84 84 SER H H 84 9.040 9.040 7.705 1.335 25449
502 1 . 1 1 85 85 LYS N N 85 125.300 125.300 121.566 3.734 25449
503 1 . 1 1 85 85 LYS HA H 85 4.440 4.440 4.349 0.091 25449
504 1 . 1 1 85 85 LYS C C 85 175.600 175.600 175.575 0.025 25449
505 1 . 1 1 85 85 LYS CA C 85 56.300 56.300 55.521 0.779 25449
506 1 . 1 1 85 85 LYS CB C 85 33.700 33.700 33.099 0.601 25449
507 1 . 1 1 85 85 LYS H H 85 8.410 8.410 8.242 0.168 25449
stop_
save_