data_17645
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17645
_Entry.PDB_ID 2LD3
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 17645
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLY N N 17 110.356 110.356 109.053 1.303 17645
2 1 1 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.479 1.131 17645
3 1 1 . 1 1 2 2 GLY H H 17 8.065 8.065 8.294 -0.229 17645
4 1 1 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.261 0.132 17645
5 1 1 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.543 1.127 17645
6 1 1 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.283 0.417 17645
7 1 1 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.151 0.579 17645
8 1 1 . 1 1 5 5 SER HA H 20 4.192 4.192 4.512 -0.320 17645
9 1 1 . 1 1 5 5 SER CA C 20 60.960 60.960 60.521 0.439 17645
10 1 1 . 1 1 5 5 SER CB C 20 64.250 64.250 63.377 0.873 17645
11 1 1 . 1 1 6 6 LEU N N 21 122.731 122.731 121.903 0.828 17645
12 1 1 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.992 0.128 17645
13 1 1 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.973 -0.253 17645
14 1 1 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.724 1.246 17645
15 1 1 . 1 1 6 6 LEU H H 21 8.052 8.052 7.320 0.732 17645
16 1 1 . 1 1 7 7 VAL N N 22 119.948 119.948 118.132 1.816 17645
17 1 1 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.601 0.152 17645
18 1 1 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.280 -0.930 17645
19 1 1 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.484 1.116 17645
20 1 1 . 1 1 7 7 VAL H H 22 7.676 7.676 7.967 -0.291 17645
21 1 1 . 1 1 8 8 LYS N N 23 122.400 122.400 118.621 3.779 17645
22 1 1 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.054 0.133 17645
23 1 1 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.505 -0.675 17645
24 1 1 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.038 0.522 17645
25 1 1 . 1 1 8 8 LYS H H 23 7.830 7.830 7.597 0.233 17645
26 1 1 . 1 1 9 9 VAL N N 24 121.205 121.205 119.141 2.064 17645
27 1 1 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645
28 1 1 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.412 0.448 17645
29 1 1 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.913 1.538 17645
30 1 1 . 1 1 9 9 VAL H H 24 8.194 8.194 7.437 0.757 17645
31 1 1 . 1 1 10 10 GLY N N 25 107.900 107.900 106.824 1.076 17645
32 1 1 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.422 0.238 17645
33 1 1 . 1 1 10 10 GLY H H 25 8.446 8.446 8.422 0.024 17645
34 1 1 . 1 1 11 11 THR N N 26 116.800 116.800 119.763 -2.963 17645
35 1 1 . 1 1 11 11 THR HA H 26 4.109 4.109 3.837 0.272 17645
36 1 1 . 1 1 11 11 THR CA C 26 66.300 66.300 66.453 -0.153 17645
37 1 1 . 1 1 11 11 THR CB C 26 69.690 69.690 68.635 1.055 17645
38 1 1 . 1 1 11 11 THR H H 26 7.992 7.992 7.795 0.197 17645
39 1 1 . 1 1 12 12 LEU N N 27 123.983 123.983 122.657 1.326 17645
40 1 1 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.990 0.137 17645
41 1 1 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.207 0.263 17645
42 1 1 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.928 0.882 17645
43 1 1 . 1 1 12 12 LEU H H 27 7.934 7.934 8.017 -0.083 17645
44 1 1 . 1 1 13 13 LYS N N 28 117.513 117.513 119.429 -1.916 17645
45 1 1 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.838 0.065 17645
46 1 1 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.708 0.442 17645
47 1 1 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.070 0.660 17645
48 1 1 . 1 1 13 13 LYS H H 28 7.824 7.824 7.723 0.101 17645
49 1 1 . 1 1 14 14 LYS N N 29 119.275 119.275 118.641 0.634 17645
50 1 1 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.008 0.143 17645
51 1 1 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.486 -0.026 17645
52 1 1 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.115 0.635 17645
53 1 1 . 1 1 14 14 LYS H H 29 7.685 7.685 7.661 0.024 17645
54 1 1 . 1 1 15 15 ARG N N 30 119.090 119.090 119.684 -0.594 17645
55 1 1 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.726 0.334 17645
56 1 1 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.414 0.616 17645
57 1 1 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.698 0.812 17645
58 1 1 . 1 1 15 15 ARG H H 30 7.709 7.709 7.565 0.144 17645
59 1 1 . 1 1 16 16 LEU N N 31 118.473 118.473 121.723 -3.250 17645
60 1 1 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.957 0.020 17645
61 1 1 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.066 0.014 17645
62 1 1 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.824 -0.504 17645
63 1 1 . 1 1 16 16 LEU H H 31 7.595 7.595 8.260 -0.665 17645
64 1 1 . 1 1 17 17 ASP N N 32 120.020 120.020 118.880 1.140 17645
65 1 1 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.230 0.209 17645
66 1 1 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.888 0.092 17645
67 1 1 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.521 0.359 17645
68 1 1 . 1 1 17 17 ASP H H 32 7.858 7.858 7.751 0.107 17645
69 1 1 . 1 1 18 18 LYS N N 33 119.708 119.708 120.444 -0.736 17645
70 1 1 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.979 0.219 17645
71 1 1 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.557 -0.087 17645
72 1 1 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.506 0.684 17645
73 1 1 . 1 1 18 18 LYS H H 33 7.564 7.564 7.446 0.118 17645
74 1 1 . 1 1 19 19 PHE N N 34 118.256 118.256 117.490 0.766 17645
75 1 1 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.215 0.036 17645
76 1 1 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.872 0.838 17645
77 1 1 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.686 1.064 17645
78 1 1 . 1 1 19 19 PHE H H 34 7.884 7.884 7.321 0.563 17645
79 1 1 . 1 1 20 20 ASN N N 35 117.779 117.779 118.300 -0.521 17645
80 1 1 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.372 0.088 17645
81 1 1 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.119 0.231 17645
82 1 1 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.425 0.575 17645
83 1 1 . 1 1 20 20 ASN H H 35 8.054 8.054 8.058 -0.004 17645
84 1 1 . 1 1 21 21 GLU N N 36 120.312 120.312 120.895 -0.583 17645
85 1 1 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.029 0.077 17645
86 1 1 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.775 -0.005 17645
87 1 1 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.620 0.889 17645
88 1 1 . 1 1 21 21 GLU H H 36 7.983 7.983 7.804 0.179 17645
89 1 1 . 1 1 22 22 VAL N N 37 119.756 119.756 118.613 1.143 17645
90 1 1 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.789 0.053 17645
91 1 1 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.133 -0.023 17645
92 1 1 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.828 0.852 17645
93 1 1 . 1 1 22 22 VAL H H 37 7.670 7.670 7.809 -0.139 17645
94 1 1 . 1 1 23 23 VAL N N 38 118.300 118.300 117.634 0.666 17645
95 1 1 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.757 -0.080 17645
96 1 1 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.678 0.872 17645
97 1 1 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.909 0.571 17645
98 1 1 . 1 1 23 23 VAL H H 38 8.159 8.159 8.126 0.033 17645
99 1 1 . 1 1 24 24 SER N N 39 113.952 113.952 116.622 -2.670 17645
100 1 1 . 1 1 24 24 SER HA H 39 4.170 4.170 4.181 -0.011 17645
101 1 1 . 1 1 24 24 SER CA C 39 61.880 61.880 61.711 0.169 17645
102 1 1 . 1 1 24 24 SER CB C 39 63.740 63.740 63.174 0.566 17645
103 1 1 . 1 1 24 24 SER H H 39 7.773 7.773 8.490 -0.717 17645
104 1 1 . 1 1 25 25 ALA N N 40 122.572 122.572 121.613 0.959 17645
105 1 1 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.344 0.081 17645
106 1 1 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.144 -0.264 17645
107 1 1 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.082 1.368 17645
108 1 1 . 1 1 25 25 ALA H H 40 7.436 7.436 7.684 -0.248 17645
109 1 1 . 1 1 26 26 LEU N N 41 120.677 120.677 118.190 2.487 17645
110 1 1 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.159 0.222 17645
111 1 1 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.098 -0.238 17645
112 1 1 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.872 0.318 17645
113 1 1 . 1 1 26 26 LEU H H 41 7.499 7.499 7.553 -0.054 17645
114 1 1 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.903 0.382 17645
115 1 1 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.059 0.191 17645
116 1 1 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.903 2.967 17645
117 1 1 . 1 1 28 28 ASP N N 43 120.989 120.989 116.143 4.846 17645
118 1 1 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.876 -0.075 17645
119 1 1 . 1 1 28 28 ASP CA C 43 54.560 54.560 52.343 2.217 17645
120 1 1 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.688 1.752 17645
121 1 1 . 1 1 28 28 ASP H H 43 8.513 8.513 7.546 0.967 17645
122 1 1 . 1 1 29 29 GLY N N 44 108.379 108.379 111.526 -3.147 17645
123 1 1 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.047 0.492 17645
124 1 1 . 1 1 29 29 GLY H H 44 8.425 8.425 8.550 -0.125 17645
125 1 1 . 1 1 30 30 LYS N N 45 119.932 119.932 119.570 0.362 17645
126 1 1 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.248 -0.169 17645
127 1 1 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.878 0.642 17645
128 1 1 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.440 0.630 17645
129 1 1 . 1 1 30 30 LYS H H 45 8.269 8.269 8.506 -0.237 17645
130 1 1 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.326 -0.018 17645
131 1 1 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.876 1.164 17645
132 1 1 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.325 0.496 17645
133 1 1 . 1 1 32 32 GLU N N 47 118.526 118.526 116.496 2.030 17645
134 1 1 . 1 1 32 32 GLU HA H 47 4.133 4.133 3.997 0.136 17645
135 1 1 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.184 0.986 17645
136 1 1 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.480 1.431 17645
137 1 1 . 1 1 32 32 GLU H H 47 8.189 8.189 8.407 -0.218 17645
138 1 1 . 1 1 33 33 VAL N N 48 120.183 120.183 121.201 -1.018 17645
139 1 1 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.678 0.234 17645
140 1 1 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.518 0.782 17645
141 1 1 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.211 1.149 17645
142 1 1 . 1 1 33 33 VAL H H 48 7.744 7.744 7.480 0.264 17645
143 1 1 . 1 1 34 34 ASN N N 49 119.700 119.700 118.005 1.695 17645
144 1 1 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.377 0.073 17645
145 1 1 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.017 1.032 17645
146 1 1 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.686 0.964 17645
147 1 1 . 1 1 34 34 ASN H H 49 8.582 8.582 8.722 -0.140 17645
148 1 1 . 1 1 35 35 ARG N N 50 121.009 121.009 120.725 0.284 17645
149 1 1 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.076 0.061 17645
150 1 1 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.578 0.192 17645
151 1 1 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.197 0.573 17645
152 1 1 . 1 1 35 35 ARG H H 50 7.848 7.848 7.927 -0.079 17645
153 1 1 . 1 1 36 36 GLN N N 51 119.394 119.394 119.062 0.332 17645
154 1 1 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.067 -0.004 17645
155 1 1 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.052 0.958 17645
156 1 1 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.064 0.707 17645
157 1 1 . 1 1 36 36 GLN H H 51 7.685 7.685 7.695 -0.010 17645
158 1 1 . 1 1 37 37 ILE N N 52 122.006 122.006 119.269 2.737 17645
159 1 1 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.704 -0.250 17645
160 1 1 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.560 0.740 17645
161 1 1 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.410 1.490 17645
162 1 1 . 1 1 37 37 ILE H H 52 8.293 8.293 8.809 -0.516 17645
163 1 1 . 1 1 38 38 LYS N N 53 121.163 121.163 120.300 0.863 17645
164 1 1 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.977 0.194 17645
165 1 1 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.283 -1.233 17645
166 1 1 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.267 -0.336 17645
167 1 1 . 1 1 38 38 LYS H H 53 8.169 8.169 7.835 0.334 17645
168 1 1 . 1 1 39 39 ASN N N 54 117.219 117.219 118.150 -0.931 17645
169 1 1 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.463 0.020 17645
170 1 1 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.810 0.800 17645
171 1 1 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.656 0.784 17645
172 1 1 . 1 1 39 39 ASN H H 54 8.171 8.171 7.953 0.218 17645
173 1 1 . 1 1 40 40 LEU N N 55 123.907 123.907 121.377 2.530 17645
174 1 1 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.078 0.127 17645
175 1 1 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.324 0.516 17645
176 1 1 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.666 0.404 17645
177 1 1 . 1 1 40 40 LEU H H 55 7.702 7.702 7.982 -0.280 17645
178 1 1 . 1 1 41 41 GLU N N 56 121.779 121.779 120.468 1.311 17645
179 1 1 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.012 -0.310 17645
180 1 1 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.905 1.545 17645
181 1 1 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.672 0.658 17645
182 1 1 . 1 1 41 41 GLU H H 56 8.442 8.442 7.898 0.544 17645
183 1 1 . 1 1 42 42 ILE N N 57 119.133 119.133 119.116 0.017 17645
184 1 1 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.748 0.135 17645
185 1 1 . 1 1 42 42 ILE CA C 57 65.550 65.550 64.885 0.665 17645
186 1 1 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.818 1.132 17645
187 1 1 . 1 1 42 42 ILE H H 57 8.531 8.531 8.238 0.293 17645
188 1 1 . 1 1 43 43 SER N N 58 118.622 118.622 116.129 2.493 17645
189 1 1 . 1 1 43 43 SER HA H 58 4.322 4.322 4.080 0.242 17645
190 1 1 . 1 1 43 43 SER CA C 58 62.940 62.940 62.135 0.805 17645
191 1 1 . 1 1 43 43 SER CB C 58 63.500 63.500 63.041 0.459 17645
192 1 1 . 1 1 43 43 SER H H 58 8.027 8.027 7.771 0.256 17645
193 1 1 . 1 1 44 44 ILE N N 59 126.416 126.416 121.455 4.961 17645
194 1 1 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.621 0.007 17645
195 1 1 . 1 1 44 44 ILE CA C 59 66.910 66.910 66.180 0.730 17645
196 1 1 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.686 1.474 17645
197 1 1 . 1 1 44 44 ILE H H 59 8.543 8.543 8.406 0.137 17645
198 1 1 . 1 1 45 45 ASP N N 60 121.563 121.563 119.593 1.970 17645
199 1 1 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.228 0.179 17645
200 1 1 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.252 1.028 17645
201 1 1 . 1 1 45 45 ASP CB C 60 40.760 40.760 41.339 -0.579 17645
202 1 1 . 1 1 45 45 ASP H H 60 8.406 8.406 7.885 0.521 17645
203 1 1 . 1 1 46 46 ALA N N 61 123.500 123.500 122.810 0.690 17645
204 1 1 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.051 0.151 17645
205 1 1 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.139 0.570 17645
206 1 1 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.382 0.278 17645
207 1 1 . 1 1 46 46 ALA H H 61 8.538 8.538 8.113 0.425 17645
208 1 1 . 1 1 47 47 LEU N N 62 121.942 121.942 119.675 2.267 17645
209 1 1 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.876 0.418 17645
210 1 1 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.717 -0.057 17645
211 1 1 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.842 -0.702 17645
212 1 1 . 1 1 47 47 LEU H H 62 7.801 7.801 7.743 0.058 17645
213 1 1 . 1 1 48 48 MET N N 63 118.068 118.068 118.617 -0.549 17645
214 1 1 . 1 1 48 48 MET HA H 63 3.945 3.945 3.877 0.068 17645
215 1 1 . 1 1 48 48 MET CA C 63 60.330 60.330 59.305 1.025 17645
216 1 1 . 1 1 48 48 MET CB C 63 33.110 33.110 32.452 0.658 17645
217 1 1 . 1 1 48 48 MET H H 63 8.261 8.261 7.813 0.448 17645
218 1 1 . 1 1 49 49 ALA N N 64 120.428 120.428 118.782 1.646 17645
219 1 1 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.054 0.047 17645
220 1 1 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.027 0.743 17645
221 1 1 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.087 0.683 17645
222 1 1 . 1 1 49 49 ALA H H 64 8.045 8.045 7.977 0.068 17645
223 1 1 . 1 1 50 50 LYS N N 65 121.947 121.947 118.528 3.419 17645
224 1 1 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.258 -0.219 17645
225 1 1 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.718 1.802 17645
226 1 1 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.741 0.939 17645
227 1 1 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645
228 1 1 . 1 1 51 51 ILE N N 66 121.189 121.189 119.495 1.694 17645
229 1 1 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.934 -0.184 17645
230 1 1 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.720 3.020 17645
231 1 1 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.223 1.897 17645
232 1 1 . 1 1 51 51 ILE H H 66 8.437 8.437 8.347 0.090 17645
233 1 1 . 1 1 52 52 LYS N N 67 117.119 117.119 117.872 -0.753 17645
234 1 1 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.380 -0.244 17645
235 1 1 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.833 1.377 17645
236 1 1 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.318 0.362 17645
237 1 1 . 1 1 52 52 LYS H H 67 7.622 7.622 7.841 -0.219 17645
238 1 1 . 1 1 53 53 SER N N 68 111.824 111.824 114.858 -3.034 17645
239 1 1 . 1 1 53 53 SER HA H 68 4.602 4.602 4.576 0.026 17645
240 1 1 . 1 1 53 53 SER CA C 68 59.960 59.960 58.572 1.388 17645
241 1 1 . 1 1 53 53 SER CB C 68 65.750 65.750 62.806 2.944 17645
242 1 1 . 1 1 53 53 SER H H 68 7.750 7.750 7.835 -0.085 17645
243 1 1 . 1 1 54 54 THR N N 69 115.916 115.916 111.548 4.368 17645
244 1 1 . 1 1 54 54 THR HA H 69 4.596 4.596 4.304 0.292 17645
245 1 1 . 1 1 54 54 THR CA C 69 62.460 62.460 62.008 0.452 17645
246 1 1 . 1 1 54 54 THR CB C 69 71.650 71.650 69.646 2.004 17645
247 1 1 . 1 1 54 54 THR H H 69 7.972 7.972 7.156 0.816 17645
248 1 1 . 1 1 55 55 MET N N 70 121.343 121.343 123.130 -1.787 17645
249 1 1 . 1 1 55 55 MET HA H 70 4.551 4.551 4.401 0.150 17645
250 1 1 . 1 1 55 55 MET CA C 70 56.050 56.050 55.017 1.033 17645
251 1 1 . 1 1 55 55 MET CB C 70 32.500 32.500 31.599 0.901 17645
252 1 1 . 1 1 55 55 MET H H 70 8.306 8.306 8.625 -0.319 17645
253 1 1 . 1 1 56 56 MET N N 71 123.196 123.196 122.040 1.156 17645
254 1 1 . 1 1 56 56 MET HA H 71 4.706 4.706 4.498 0.208 17645
255 1 1 . 1 1 56 56 MET CA C 71 55.860 55.860 54.986 0.874 17645
256 1 1 . 1 1 56 56 MET CB C 71 37.620 37.620 33.149 4.471 17645
257 1 1 . 1 1 56 56 MET H H 71 8.114 8.114 7.792 0.322 17645
258 1 1 . 1 1 57 57 THR N N 72 113.158 113.158 117.814 -4.656 17645
259 1 1 . 1 1 57 57 THR HA H 72 4.483 4.483 4.503 -0.020 17645
260 1 1 . 1 1 57 57 THR CA C 72 61.080 61.080 61.382 -0.302 17645
261 1 1 . 1 1 57 57 THR CB C 72 71.670 71.670 69.686 1.984 17645
262 1 1 . 1 1 57 57 THR H H 72 8.486 8.486 8.300 0.186 17645
263 1 1 . 1 1 58 58 ARG N N 73 121.911 121.911 126.104 -4.193 17645
264 1 1 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.896 0.013 17645
265 1 1 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.492 1.028 17645
266 1 1 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.388 0.942 17645
267 1 1 . 1 1 58 58 ARG H H 73 8.961 8.961 8.908 0.053 17645
268 1 1 . 1 1 59 59 GLU N N 74 118.955 118.955 119.108 -0.153 17645
269 1 1 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.011 0.021 17645
270 1 1 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.754 1.136 17645
271 1 1 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.980 0.980 17645
272 1 1 . 1 1 59 59 GLU H H 74 8.833 8.833 8.823 0.010 17645
273 1 1 . 1 1 60 60 GLN N N 75 121.077 121.077 117.949 3.128 17645
274 1 1 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.114 -0.124 17645
275 1 1 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.530 0.870 17645
276 1 1 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.377 1.013 17645
277 1 1 . 1 1 60 60 GLN H H 75 7.801 7.801 7.635 0.166 17645
278 1 1 . 1 1 61 61 ILE N N 76 120.016 120.016 119.630 0.386 17645
279 1 1 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.194 -0.765 17645
280 1 1 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.481 4.379 17645
281 1 1 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.754 1.956 17645
282 1 1 . 1 1 61 61 ILE H H 76 8.250 8.250 7.566 0.684 17645
283 1 1 . 1 1 62 62 GLN N N 77 119.153 119.153 120.318 -1.165 17645
284 1 1 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.014 -0.247 17645
285 1 1 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.218 0.552 17645
286 1 1 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.339 0.741 17645
287 1 1 . 1 1 62 62 GLN H H 77 8.295 8.295 8.232 0.063 17645
288 1 1 . 1 1 63 63 LYS N N 78 118.200 118.200 119.352 -1.152 17645
289 1 1 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.040 0.114 17645
290 1 1 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.509 0.641 17645
291 1 1 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.414 0.896 17645
292 1 1 . 1 1 63 63 LYS H H 78 7.839 7.839 7.803 0.036 17645
293 1 1 . 1 1 64 64 GLU N N 79 120.133 120.133 119.404 0.729 17645
294 1 1 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.009 0.133 17645
295 1 1 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.416 0.915 17645
296 1 1 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.478 1.132 17645
297 1 1 . 1 1 64 64 GLU H H 79 7.899 7.899 7.944 -0.045 17645
298 1 1 . 1 1 65 65 TYR N N 80 122.505 122.505 119.720 2.785 17645
299 1 1 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.187 -0.245 17645
300 1 1 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.765 0.995 17645
301 1 1 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.559 0.911 17645
302 1 1 . 1 1 65 65 TYR H H 80 9.023 9.023 8.207 0.816 17645
303 1 1 . 1 1 66 66 ASP N N 81 120.497 120.497 119.729 0.768 17645
304 1 1 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.388 -0.171 17645
305 1 1 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.019 0.081 17645
306 1 1 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.472 0.168 17645
307 1 1 . 1 1 66 66 ASP H H 81 9.089 9.089 7.775 1.314 17645
308 1 1 . 1 1 67 67 ALA N N 82 122.397 122.397 122.488 -0.091 17645
309 1 1 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.105 0.082 17645
310 1 1 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.148 0.682 17645
311 1 1 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.390 0.530 17645
312 1 1 . 1 1 67 67 ALA H H 82 7.636 7.636 8.283 -0.647 17645
313 1 1 . 1 1 68 68 LEU N N 83 121.806 121.806 117.985 3.821 17645
314 1 1 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.003 0.142 17645
315 1 1 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.417 0.863 17645
316 1 1 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.758 1.103 17645
317 1 1 . 1 1 68 68 LEU H H 83 7.727 7.727 7.623 0.104 17645
318 1 1 . 1 1 69 69 VAL N N 84 123.560 123.560 119.732 3.828 17645
319 1 1 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.526 -0.221 17645
320 1 1 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.660 1.379 17645
321 1 1 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.197 0.993 17645
322 1 1 . 1 1 69 69 VAL H H 84 8.560 8.560 7.832 0.729 17645
323 1 1 . 1 1 70 70 LYS N N 85 121.398 121.398 120.134 1.264 17645
324 1 1 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.045 0.047 17645
325 1 1 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.400 0.850 17645
326 1 1 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.907 0.853 17645
327 1 1 . 1 1 70 70 LYS H H 85 7.956 7.956 8.475 -0.519 17645
328 1 1 . 1 1 71 71 SER N N 86 114.825 114.825 114.698 0.127 17645
329 1 1 . 1 1 71 71 SER HA H 86 4.298 4.298 4.172 0.126 17645
330 1 1 . 1 1 71 71 SER CA C 86 62.810 62.810 61.249 1.561 17645
331 1 1 . 1 1 71 71 SER CB C 86 63.640 63.640 62.969 0.671 17645
332 1 1 . 1 1 71 71 SER H H 86 8.284 8.284 7.905 0.379 17645
333 1 1 . 1 1 72 72 SER N N 87 118.845 118.845 117.410 1.435 17645
334 1 1 . 1 1 72 72 SER HA H 87 4.269 4.269 3.993 0.276 17645
335 1 1 . 1 1 72 72 SER CA C 87 62.940 62.940 61.984 0.956 17645
336 1 1 . 1 1 72 72 SER CB C 87 63.870 63.870 62.850 1.020 17645
337 1 1 . 1 1 72 72 SER H H 87 8.421 8.421 8.362 0.059 17645
338 1 1 . 1 1 73 73 GLU N N 88 124.809 124.809 121.381 3.428 17645
339 1 1 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.970 0.082 17645
340 1 1 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.437 0.793 17645
341 1 1 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.296 0.934 17645
342 1 1 . 1 1 73 73 GLU H H 88 8.376 8.376 7.947 0.429 17645
343 1 1 . 1 1 74 74 ASP N N 89 122.193 122.193 120.105 2.088 17645
344 1 1 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.386 0.025 17645
345 1 1 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.851 0.059 17645
346 1 1 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.777 -0.197 17645
347 1 1 . 1 1 74 74 ASP H H 89 8.734 8.734 7.718 1.016 17645
348 1 1 . 1 1 75 75 LEU N N 90 123.280 123.280 121.428 1.852 17645
349 1 1 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.845 0.445 17645
350 1 1 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.294 0.266 17645
351 1 1 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.700 0.330 17645
352 1 1 . 1 1 75 75 LEU H H 90 7.986 7.986 7.436 0.550 17645
353 1 1 . 1 1 76 76 LEU N N 91 120.488 120.488 118.901 1.587 17645
354 1 1 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.720 0.118 17645
355 1 1 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.334 0.866 17645
356 1 1 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.001 0.509 17645
357 1 1 . 1 1 76 76 LEU H H 91 8.280 8.280 7.797 0.483 17645
358 1 1 . 1 1 77 77 SER N N 92 113.817 113.817 115.426 -1.609 17645
359 1 1 . 1 1 77 77 SER HA H 92 4.235 4.235 4.292 -0.057 17645
360 1 1 . 1 1 77 77 SER CA C 92 62.200 62.200 61.720 0.480 17645
361 1 1 . 1 1 77 77 SER CB C 92 63.440 63.440 62.670 0.770 17645
362 1 1 . 1 1 77 77 SER H H 92 8.219 8.219 7.915 0.304 17645
363 1 1 . 1 1 78 78 ALA N N 93 124.902 124.902 124.356 0.546 17645
364 1 1 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.101 0.065 17645
365 1 1 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.853 1.007 17645
366 1 1 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.311 0.449 17645
367 1 1 . 1 1 78 78 ALA H H 93 7.949 7.949 8.128 -0.179 17645
368 1 1 . 1 1 79 79 LEU N N 94 120.602 120.602 120.100 0.502 17645
369 1 1 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.916 0.151 17645
370 1 1 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.422 0.048 17645
371 1 1 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.564 1.046 17645
372 1 1 . 1 1 79 79 LEU H H 94 8.587 8.587 8.257 0.330 17645
373 1 1 . 1 1 80 80 GLN N N 95 119.525 119.525 118.632 0.893 17645
374 1 1 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.885 0.163 17645
375 1 1 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.971 -0.381 17645
376 1 1 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.322 0.518 17645
377 1 1 . 1 1 80 80 GLN H H 95 8.561 8.561 8.616 -0.055 17645
378 1 1 . 1 1 81 81 LYS N N 96 121.075 121.075 118.557 2.518 17645
379 1 1 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.969 0.168 17645
380 1 1 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.121 0.929 17645
381 1 1 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.010 0.930 17645
382 1 1 . 1 1 81 81 LYS H H 96 8.003 8.003 7.856 0.147 17645
383 1 1 . 1 1 82 82 LYS N N 97 121.415 121.415 120.915 0.500 17645
384 1 1 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.009 0.116 17645
385 1 1 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.928 0.042 17645
386 1 1 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.542 0.578 17645
387 1 1 . 1 1 82 82 LYS H H 97 7.903 7.903 7.728 0.175 17645
388 1 1 . 1 1 83 83 LYS N N 98 121.081 121.081 118.215 2.866 17645
389 1 1 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.025 -0.043 17645
390 1 1 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.834 1.176 17645
391 1 1 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.129 0.991 17645
392 1 1 . 1 1 83 83 LYS H H 98 8.202 8.202 8.257 -0.055 17645
393 1 1 . 1 1 84 84 GLN N N 99 119.576 119.576 117.218 2.358 17645
394 1 1 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.147 -0.023 17645
395 1 1 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.811 1.999 17645
396 1 1 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.232 0.728 17645
397 1 1 . 1 1 84 84 GLN H H 99 8.125 8.125 7.984 0.141 17645
398 1 1 . 1 1 85 85 GLN N N 100 120.009 120.009 119.128 0.881 17645
399 1 1 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.143 -0.022 17645
400 1 1 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.842 2.748 17645
401 1 1 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.291 -0.271 17645
402 1 1 . 1 1 85 85 GLN H H 100 8.341 8.341 7.600 0.741 17645
403 1 1 . 1 1 86 86 GLU N N 101 121.718 121.718 115.013 6.705 17645
404 1 1 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.979 0.156 17645
405 1 1 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.750 2.680 17645
406 1 1 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.552 1.588 17645
407 1 1 . 1 1 86 86 GLU H H 101 8.275 8.275 7.866 0.409 17645
408 1 1 . 1 1 87 87 GLU N N 102 121.412 121.412 117.379 4.033 17645
409 1 1 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.478 -0.362 17645
410 1 1 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.768 4.192 17645
411 1 1 . 1 1 87 87 GLU CB C 102 30.290 30.290 32.656 -2.366 17645
412 1 1 . 1 1 87 87 GLU H H 102 8.330 8.330 8.102 0.228 17645
413 1 2 . 1 1 2 2 GLY N N 17 110.356 110.356 110.229 0.127 17645
414 1 2 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.304 1.306 17645
415 1 2 . 1 1 2 2 GLY H H 17 8.065 8.065 7.949 0.116 17645
416 1 2 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.370 0.023 17645
417 1 2 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.016 1.654 17645
418 1 2 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.693 0.007 17645
419 1 2 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.365 1.365 17645
420 1 2 . 1 1 5 5 SER HA H 20 4.192 4.192 4.428 -0.236 17645
421 1 2 . 1 1 5 5 SER CA C 20 60.960 60.960 59.767 1.193 17645
422 1 2 . 1 1 5 5 SER CB C 20 64.250 64.250 63.132 1.118 17645
423 1 2 . 1 1 6 6 LEU N N 21 122.731 122.731 121.274 1.457 17645
424 1 2 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.987 0.133 17645
425 1 2 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.071 -0.351 17645
426 1 2 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.642 1.328 17645
427 1 2 . 1 1 6 6 LEU H H 21 8.052 8.052 8.027 0.025 17645
428 1 2 . 1 1 7 7 VAL N N 22 119.948 119.948 118.949 0.999 17645
429 1 2 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.580 0.173 17645
430 1 2 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.857 -1.507 17645
431 1 2 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.818 0.782 17645
432 1 2 . 1 1 7 7 VAL H H 22 7.676 7.676 7.533 0.143 17645
433 1 2 . 1 1 8 8 LYS N N 23 122.400 122.400 119.024 3.376 17645
434 1 2 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.190 -0.003 17645
435 1 2 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.374 -0.544 17645
436 1 2 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.480 0.081 17645
437 1 2 . 1 1 8 8 LYS H H 23 7.830 7.830 7.580 0.250 17645
438 1 2 . 1 1 9 9 VAL N N 24 121.205 121.205 119.390 1.815 17645
439 1 2 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.698 0.128 17645
440 1 2 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.269 0.591 17645
441 1 2 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.757 1.693 17645
442 1 2 . 1 1 9 9 VAL H H 24 8.194 8.194 7.973 0.221 17645
443 1 2 . 1 1 10 10 GLY N N 25 107.900 107.900 106.906 0.994 17645
444 1 2 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.514 0.146 17645
445 1 2 . 1 1 10 10 GLY H H 25 8.446 8.446 8.758 -0.312 17645
446 1 2 . 1 1 11 11 THR N N 26 116.800 116.800 119.301 -2.501 17645
447 1 2 . 1 1 11 11 THR HA H 26 4.109 4.109 3.898 0.211 17645
448 1 2 . 1 1 11 11 THR CA C 26 66.300 66.300 66.505 -0.205 17645
449 1 2 . 1 1 11 11 THR CB C 26 69.690 69.690 68.658 1.032 17645
450 1 2 . 1 1 11 11 THR H H 26 7.992 7.992 7.660 0.332 17645
451 1 2 . 1 1 12 12 LEU N N 27 123.983 123.983 122.831 1.152 17645
452 1 2 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.905 0.223 17645
453 1 2 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.148 0.322 17645
454 1 2 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.686 1.124 17645
455 1 2 . 1 1 12 12 LEU H H 27 7.934 7.934 7.930 0.004 17645
456 1 2 . 1 1 13 13 LYS N N 28 117.513 117.513 118.924 -1.411 17645
457 1 2 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.785 0.118 17645
458 1 2 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.715 0.435 17645
459 1 2 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.910 0.820 17645
460 1 2 . 1 1 13 13 LYS H H 28 7.824 7.824 7.819 0.005 17645
461 1 2 . 1 1 14 14 LYS N N 29 119.275 119.275 118.336 0.939 17645
462 1 2 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.009 0.142 17645
463 1 2 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.165 0.295 17645
464 1 2 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.259 0.491 17645
465 1 2 . 1 1 14 14 LYS H H 29 7.685 7.685 7.695 -0.010 17645
466 1 2 . 1 1 15 15 ARG N N 30 119.090 119.090 119.739 -0.649 17645
467 1 2 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.792 0.268 17645
468 1 2 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.022 1.008 17645
469 1 2 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.312 1.198 17645
470 1 2 . 1 1 15 15 ARG H H 30 7.709 7.709 7.298 0.411 17645
471 1 2 . 1 1 16 16 LEU N N 31 118.473 118.473 120.706 -2.233 17645
472 1 2 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.037 -0.060 17645
473 1 2 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.604 -0.524 17645
474 1 2 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.771 -0.451 17645
475 1 2 . 1 1 16 16 LEU H H 31 7.595 7.595 8.141 -0.546 17645
476 1 2 . 1 1 17 17 ASP N N 32 120.020 120.020 119.001 1.019 17645
477 1 2 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.231 0.208 17645
478 1 2 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.699 0.281 17645
479 1 2 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.703 0.177 17645
480 1 2 . 1 1 17 17 ASP H H 32 7.858 7.858 7.758 0.100 17645
481 1 2 . 1 1 18 18 LYS N N 33 119.708 119.708 120.447 -0.739 17645
482 1 2 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.959 0.239 17645
483 1 2 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.507 -0.037 17645
484 1 2 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.586 0.604 17645
485 1 2 . 1 1 18 18 LYS H H 33 7.564 7.564 7.328 0.236 17645
486 1 2 . 1 1 19 19 PHE N N 34 118.256 118.256 117.559 0.697 17645
487 1 2 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.216 0.035 17645
488 1 2 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.104 0.606 17645
489 1 2 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.661 1.089 17645
490 1 2 . 1 1 19 19 PHE H H 34 7.884 7.884 7.345 0.539 17645
491 1 2 . 1 1 20 20 ASN N N 35 117.779 117.779 117.989 -0.210 17645
492 1 2 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.437 0.023 17645
493 1 2 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.944 0.406 17645
494 1 2 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.080 0.920 17645
495 1 2 . 1 1 20 20 ASN H H 35 8.054 8.054 8.309 -0.255 17645
496 1 2 . 1 1 21 21 GLU N N 36 120.312 120.312 120.649 -0.337 17645
497 1 2 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.054 0.052 17645
498 1 2 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.795 -0.025 17645
499 1 2 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.686 0.824 17645
500 1 2 . 1 1 21 21 GLU H H 36 7.983 7.983 7.842 0.141 17645
501 1 2 . 1 1 22 22 VAL N N 37 119.756 119.756 119.491 0.265 17645
502 1 2 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.768 0.074 17645
503 1 2 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.780 0.330 17645
504 1 2 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.883 1.797 17645
505 1 2 . 1 1 22 22 VAL H H 37 7.670 7.670 7.844 -0.174 17645
506 1 2 . 1 1 23 23 VAL N N 38 118.300 118.300 119.895 -1.595 17645
507 1 2 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.688 -0.011 17645
508 1 2 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.538 0.012 17645
509 1 2 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.875 1.605 17645
510 1 2 . 1 1 23 23 VAL H H 38 8.159 8.159 8.383 -0.224 17645
511 1 2 . 1 1 24 24 SER N N 39 113.952 113.952 116.049 -2.097 17645
512 1 2 . 1 1 24 24 SER HA H 39 4.170 4.170 4.151 0.019 17645
513 1 2 . 1 1 24 24 SER CA C 39 61.880 61.880 61.822 0.058 17645
514 1 2 . 1 1 24 24 SER CB C 39 63.740 63.740 62.930 0.810 17645
515 1 2 . 1 1 24 24 SER H H 39 7.773 7.773 8.550 -0.777 17645
516 1 2 . 1 1 25 25 ALA N N 40 122.572 122.572 122.972 -0.400 17645
517 1 2 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.361 0.064 17645
518 1 2 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.971 -1.091 17645
519 1 2 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.373 2.077 17645
520 1 2 . 1 1 25 25 ALA H H 40 7.436 7.436 7.765 -0.329 17645
521 1 2 . 1 1 26 26 LEU N N 41 120.677 120.677 117.708 2.969 17645
522 1 2 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.082 0.299 17645
523 1 2 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.486 -0.626 17645
524 1 2 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.527 0.663 17645
525 1 2 . 1 1 26 26 LEU H H 41 7.499 7.499 7.165 0.334 17645
526 1 2 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.015 0.270 17645
527 1 2 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.788 0.463 17645
528 1 2 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.093 2.777 17645
529 1 2 . 1 1 28 28 ASP N N 43 120.989 120.989 118.235 2.754 17645
530 1 2 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.767 0.034 17645
531 1 2 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.555 1.005 17645
532 1 2 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.349 0.091 17645
533 1 2 . 1 1 28 28 ASP H H 43 8.513 8.513 7.829 0.684 17645
534 1 2 . 1 1 29 29 GLY N N 44 108.379 108.379 110.622 -2.243 17645
535 1 2 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.900 0.640 17645
536 1 2 . 1 1 29 29 GLY H H 44 8.425 8.425 8.644 -0.219 17645
537 1 2 . 1 1 30 30 LYS N N 45 119.932 119.932 120.073 -0.141 17645
538 1 2 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.081 -0.002 17645
539 1 2 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.435 0.085 17645
540 1 2 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.358 0.712 17645
541 1 2 . 1 1 30 30 LYS H H 45 8.269 8.269 8.527 -0.258 17645
542 1 2 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.426 -0.118 17645
543 1 2 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.794 1.246 17645
544 1 2 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.331 0.489 17645
545 1 2 . 1 1 32 32 GLU N N 47 118.526 118.526 118.115 0.411 17645
546 1 2 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.050 0.083 17645
547 1 2 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.674 0.496 17645
548 1 2 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.514 0.396 17645
549 1 2 . 1 1 32 32 GLU H H 47 8.189 8.189 8.163 0.026 17645
550 1 2 . 1 1 33 33 VAL N N 48 120.183 120.183 120.588 -0.405 17645
551 1 2 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.711 0.201 17645
552 1 2 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.817 0.483 17645
553 1 2 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.696 0.664 17645
554 1 2 . 1 1 33 33 VAL H H 48 7.744 7.744 8.440 -0.696 17645
555 1 2 . 1 1 34 34 ASN N N 49 119.700 119.700 117.812 1.888 17645
556 1 2 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.464 -0.014 17645
557 1 2 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.926 1.124 17645
558 1 2 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.563 1.087 17645
559 1 2 . 1 1 34 34 ASN H H 49 8.582 8.582 8.821 -0.239 17645
560 1 2 . 1 1 35 35 ARG N N 50 121.009 121.009 120.890 0.119 17645
561 1 2 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.077 0.060 17645
562 1 2 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.161 0.609 17645
563 1 2 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.169 0.601 17645
564 1 2 . 1 1 35 35 ARG H H 50 7.848 7.848 7.740 0.108 17645
565 1 2 . 1 1 36 36 GLN N N 51 119.394 119.394 119.268 0.126 17645
566 1 2 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.088 -0.025 17645
567 1 2 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.882 1.128 17645
568 1 2 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.966 0.804 17645
569 1 2 . 1 1 36 36 GLN H H 51 7.685 7.685 7.726 -0.041 17645
570 1 2 . 1 1 37 37 ILE N N 52 122.006 122.006 119.760 2.246 17645
571 1 2 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.686 -0.232 17645
572 1 2 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.186 1.113 17645
573 1 2 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.536 1.364 17645
574 1 2 . 1 1 37 37 ILE H H 52 8.293 8.293 8.829 -0.536 17645
575 1 2 . 1 1 38 38 LYS N N 53 121.163 121.163 120.725 0.438 17645
576 1 2 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.967 0.204 17645
577 1 2 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.040 -0.990 17645
578 1 2 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.222 -0.292 17645
579 1 2 . 1 1 38 38 LYS H H 53 8.169 8.169 7.800 0.369 17645
580 1 2 . 1 1 39 39 ASN N N 54 117.219 117.219 118.123 -0.904 17645
581 1 2 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.420 0.063 17645
582 1 2 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.997 0.613 17645
583 1 2 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.071 0.369 17645
584 1 2 . 1 1 39 39 ASN H H 54 8.171 8.171 7.895 0.276 17645
585 1 2 . 1 1 40 40 LEU N N 55 123.907 123.907 120.263 3.644 17645
586 1 2 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.056 0.149 17645
587 1 2 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.397 0.443 17645
588 1 2 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.731 0.339 17645
589 1 2 . 1 1 40 40 LEU H H 55 7.702 7.702 7.838 -0.136 17645
590 1 2 . 1 1 41 41 GLU N N 56 121.779 121.779 119.887 1.892 17645
591 1 2 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.943 -0.241 17645
592 1 2 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.468 1.982 17645
593 1 2 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.018 1.312 17645
594 1 2 . 1 1 41 41 GLU H H 56 8.442 8.442 8.156 0.286 17645
595 1 2 . 1 1 42 42 ILE N N 57 119.133 119.133 120.451 -1.318 17645
596 1 2 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.705 0.178 17645
597 1 2 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.077 0.473 17645
598 1 2 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.661 1.289 17645
599 1 2 . 1 1 42 42 ILE H H 57 8.531 8.531 8.084 0.447 17645
600 1 2 . 1 1 43 43 SER N N 58 118.622 118.622 116.652 1.970 17645
601 1 2 . 1 1 43 43 SER HA H 58 4.322 4.322 4.030 0.292 17645
602 1 2 . 1 1 43 43 SER CA C 58 62.940 62.940 62.224 0.716 17645
603 1 2 . 1 1 43 43 SER CB C 58 63.500 63.500 63.105 0.395 17645
604 1 2 . 1 1 43 43 SER H H 58 8.027 8.027 7.565 0.462 17645
605 1 2 . 1 1 44 44 ILE N N 59 126.416 126.416 122.015 4.401 17645
606 1 2 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.556 0.072 17645
607 1 2 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.813 1.097 17645
608 1 2 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.698 1.462 17645
609 1 2 . 1 1 44 44 ILE H H 59 8.543 8.543 8.335 0.208 17645
610 1 2 . 1 1 45 45 ASP N N 60 121.563 121.563 119.637 1.926 17645
611 1 2 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.291 0.116 17645
612 1 2 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.534 0.746 17645
613 1 2 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.884 -0.124 17645
614 1 2 . 1 1 45 45 ASP H H 60 8.406 8.406 7.848 0.558 17645
615 1 2 . 1 1 46 46 ALA N N 61 123.500 123.500 122.615 0.885 17645
616 1 2 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.042 0.160 17645
617 1 2 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.118 0.592 17645
618 1 2 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.401 0.258 17645
619 1 2 . 1 1 46 46 ALA H H 61 8.538 8.538 7.964 0.574 17645
620 1 2 . 1 1 47 47 LEU N N 62 121.942 121.942 119.717 2.225 17645
621 1 2 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.872 0.422 17645
622 1 2 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.723 -0.063 17645
623 1 2 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.797 -0.657 17645
624 1 2 . 1 1 47 47 LEU H H 62 7.801 7.801 7.757 0.044 17645
625 1 2 . 1 1 48 48 MET N N 63 118.068 118.068 118.662 -0.594 17645
626 1 2 . 1 1 48 48 MET HA H 63 3.945 3.945 3.875 0.070 17645
627 1 2 . 1 1 48 48 MET CA C 63 60.330 60.330 59.243 1.087 17645
628 1 2 . 1 1 48 48 MET CB C 63 33.110 33.110 32.424 0.686 17645
629 1 2 . 1 1 48 48 MET H H 63 8.261 8.261 7.808 0.453 17645
630 1 2 . 1 1 49 49 ALA N N 64 120.428 120.428 118.804 1.624 17645
631 1 2 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.055 0.046 17645
632 1 2 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.044 0.726 17645
633 1 2 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.094 0.676 17645
634 1 2 . 1 1 49 49 ALA H H 64 8.045 8.045 7.995 0.050 17645
635 1 2 . 1 1 50 50 LYS N N 65 121.947 121.947 117.998 3.949 17645
636 1 2 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.303 -0.264 17645
637 1 2 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.656 1.864 17645
638 1 2 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.750 0.930 17645
639 1 2 . 1 1 50 50 LYS H H 65 8.063 8.063 7.855 0.208 17645
640 1 2 . 1 1 51 51 ILE N N 66 121.189 121.189 118.689 2.500 17645
641 1 2 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.896 -0.146 17645
642 1 2 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.562 3.178 17645
643 1 2 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.442 1.678 17645
644 1 2 . 1 1 51 51 ILE H H 66 8.437 8.437 8.260 0.177 17645
645 1 2 . 1 1 52 52 LYS N N 67 117.119 117.119 118.121 -1.002 17645
646 1 2 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.352 -0.216 17645
647 1 2 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.624 1.586 17645
648 1 2 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.150 0.530 17645
649 1 2 . 1 1 52 52 LYS H H 67 7.622 7.622 7.799 -0.177 17645
650 1 2 . 1 1 53 53 SER N N 68 111.824 111.824 114.403 -2.579 17645
651 1 2 . 1 1 53 53 SER HA H 68 4.602 4.602 4.546 0.056 17645
652 1 2 . 1 1 53 53 SER CA C 68 59.960 59.960 58.459 1.501 17645
653 1 2 . 1 1 53 53 SER CB C 68 65.750 65.750 62.979 2.771 17645
654 1 2 . 1 1 53 53 SER H H 68 7.750 7.750 7.789 -0.039 17645
655 1 2 . 1 1 54 54 THR N N 69 115.916 115.916 111.649 4.267 17645
656 1 2 . 1 1 54 54 THR HA H 69 4.596 4.596 4.287 0.309 17645
657 1 2 . 1 1 54 54 THR CA C 69 62.460 62.460 61.576 0.884 17645
658 1 2 . 1 1 54 54 THR CB C 69 71.650 71.650 69.755 1.895 17645
659 1 2 . 1 1 54 54 THR H H 69 7.972 7.972 7.109 0.863 17645
660 1 2 . 1 1 55 55 MET N N 70 121.343 121.343 122.969 -1.626 17645
661 1 2 . 1 1 55 55 MET HA H 70 4.551 4.551 4.546 0.005 17645
662 1 2 . 1 1 55 55 MET CA C 70 56.050 56.050 54.096 1.954 17645
663 1 2 . 1 1 55 55 MET CB C 70 32.500 32.500 31.327 1.173 17645
664 1 2 . 1 1 55 55 MET H H 70 8.306 8.306 8.576 -0.270 17645
665 1 2 . 1 1 56 56 MET N N 71 123.196 123.196 122.950 0.246 17645
666 1 2 . 1 1 56 56 MET HA H 71 4.706 4.706 4.608 0.098 17645
667 1 2 . 1 1 56 56 MET CA C 71 55.860 55.860 53.954 1.906 17645
668 1 2 . 1 1 56 56 MET CB C 71 37.620 37.620 33.665 3.955 17645
669 1 2 . 1 1 56 56 MET H H 71 8.114 8.114 7.918 0.196 17645
670 1 2 . 1 1 57 57 THR N N 72 113.158 113.158 118.141 -4.983 17645
671 1 2 . 1 1 57 57 THR HA H 72 4.483 4.483 4.461 0.022 17645
672 1 2 . 1 1 57 57 THR CA C 72 61.080 61.080 62.528 -1.448 17645
673 1 2 . 1 1 57 57 THR CB C 72 71.670 71.670 69.862 1.808 17645
674 1 2 . 1 1 57 57 THR H H 72 8.486 8.486 8.415 0.071 17645
675 1 2 . 1 1 58 58 ARG N N 73 121.911 121.911 125.503 -3.592 17645
676 1 2 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.938 -0.029 17645
677 1 2 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.388 0.133 17645
678 1 2 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.188 0.142 17645
679 1 2 . 1 1 58 58 ARG H H 73 8.961 8.961 8.848 0.113 17645
680 1 2 . 1 1 59 59 GLU N N 74 118.955 118.955 118.586 0.369 17645
681 1 2 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.000 0.032 17645
682 1 2 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.969 0.920 17645
683 1 2 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.171 0.789 17645
684 1 2 . 1 1 59 59 GLU H H 74 8.833 8.833 8.725 0.108 17645
685 1 2 . 1 1 60 60 GLN N N 75 121.077 121.077 118.390 2.687 17645
686 1 2 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.111 -0.121 17645
687 1 2 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.809 0.591 17645
688 1 2 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.445 0.945 17645
689 1 2 . 1 1 60 60 GLN H H 75 7.801 7.801 7.746 0.055 17645
690 1 2 . 1 1 61 61 ILE N N 76 120.016 120.016 119.931 0.085 17645
691 1 2 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.889 -0.460 17645
692 1 2 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.779 3.081 17645
693 1 2 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.780 1.930 17645
694 1 2 . 1 1 61 61 ILE H H 76 8.250 8.250 7.598 0.652 17645
695 1 2 . 1 1 62 62 GLN N N 77 119.153 119.153 119.797 -0.644 17645
696 1 2 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.968 -0.201 17645
697 1 2 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.217 0.553 17645
698 1 2 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.497 0.583 17645
699 1 2 . 1 1 62 62 GLN H H 77 8.295 8.295 8.215 0.080 17645
700 1 2 . 1 1 63 63 LYS N N 78 118.200 118.200 119.892 -1.692 17645
701 1 2 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.062 0.092 17645
702 1 2 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.411 0.739 17645
703 1 2 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.269 1.041 17645
704 1 2 . 1 1 63 63 LYS H H 78 7.839 7.839 7.856 -0.017 17645
705 1 2 . 1 1 64 64 GLU N N 79 120.133 120.133 118.404 1.729 17645
706 1 2 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.017 0.125 17645
707 1 2 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.487 0.843 17645
708 1 2 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.419 1.191 17645
709 1 2 . 1 1 64 64 GLU H H 79 7.899 7.899 7.956 -0.057 17645
710 1 2 . 1 1 65 65 TYR N N 80 122.505 122.505 119.682 2.823 17645
711 1 2 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.228 -0.286 17645
712 1 2 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.312 1.448 17645
713 1 2 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.395 1.075 17645
714 1 2 . 1 1 65 65 TYR H H 80 9.023 9.023 8.015 1.008 17645
715 1 2 . 1 1 66 66 ASP N N 81 120.497 120.497 119.898 0.599 17645
716 1 2 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.414 -0.197 17645
717 1 2 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.572 0.528 17645
718 1 2 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.546 0.094 17645
719 1 2 . 1 1 66 66 ASP H H 81 9.089 9.089 8.025 1.064 17645
720 1 2 . 1 1 67 67 ALA N N 82 122.397 122.397 122.534 -0.137 17645
721 1 2 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.114 0.073 17645
722 1 2 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.222 0.608 17645
723 1 2 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.447 0.473 17645
724 1 2 . 1 1 67 67 ALA H H 82 7.636 7.636 8.237 -0.601 17645
725 1 2 . 1 1 68 68 LEU N N 83 121.806 121.806 118.271 3.535 17645
726 1 2 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.069 0.076 17645
727 1 2 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.695 0.585 17645
728 1 2 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.896 0.964 17645
729 1 2 . 1 1 68 68 LEU H H 83 7.727 7.727 7.706 0.021 17645
730 1 2 . 1 1 69 69 VAL N N 84 123.560 123.560 120.227 3.333 17645
731 1 2 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.666 -0.361 17645
732 1 2 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.877 1.163 17645
733 1 2 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.160 1.030 17645
734 1 2 . 1 1 69 69 VAL H H 84 8.560 8.560 7.924 0.636 17645
735 1 2 . 1 1 70 70 LYS N N 85 121.398 121.398 121.514 -0.116 17645
736 1 2 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.230 -0.138 17645
737 1 2 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.822 0.428 17645
738 1 2 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.213 0.547 17645
739 1 2 . 1 1 70 70 LYS H H 85 7.956 7.956 8.760 -0.804 17645
740 1 2 . 1 1 71 71 SER N N 86 114.825 114.825 113.602 1.223 17645
741 1 2 . 1 1 71 71 SER HA H 86 4.298 4.298 4.169 0.129 17645
742 1 2 . 1 1 71 71 SER CA C 86 62.810 62.810 61.769 1.041 17645
743 1 2 . 1 1 71 71 SER CB C 86 63.640 63.640 63.025 0.615 17645
744 1 2 . 1 1 71 71 SER H H 86 8.284 8.284 7.866 0.418 17645
745 1 2 . 1 1 72 72 SER N N 87 118.845 118.845 117.363 1.482 17645
746 1 2 . 1 1 72 72 SER HA H 87 4.269 4.269 3.933 0.336 17645
747 1 2 . 1 1 72 72 SER CA C 87 62.940 62.940 61.078 1.863 17645
748 1 2 . 1 1 72 72 SER CB C 87 63.870 63.870 62.935 0.935 17645
749 1 2 . 1 1 72 72 SER H H 87 8.421 8.421 7.998 0.423 17645
750 1 2 . 1 1 73 73 GLU N N 88 124.809 124.809 121.763 3.046 17645
751 1 2 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.889 0.163 17645
752 1 2 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.636 0.594 17645
753 1 2 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.523 0.707 17645
754 1 2 . 1 1 73 73 GLU H H 88 8.376 8.376 8.114 0.262 17645
755 1 2 . 1 1 74 74 ASP N N 89 122.193 122.193 120.088 2.105 17645
756 1 2 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.373 0.038 17645
757 1 2 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.743 0.167 17645
758 1 2 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.722 -0.142 17645
759 1 2 . 1 1 74 74 ASP H H 89 8.734 8.734 7.776 0.958 17645
760 1 2 . 1 1 75 75 LEU N N 90 123.280 123.280 121.328 1.952 17645
761 1 2 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.935 0.355 17645
762 1 2 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.129 0.431 17645
763 1 2 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.671 0.359 17645
764 1 2 . 1 1 75 75 LEU H H 90 7.986 7.986 7.462 0.524 17645
765 1 2 . 1 1 76 76 LEU N N 91 120.488 120.488 119.475 1.013 17645
766 1 2 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.888 -0.050 17645
767 1 2 . 1 1 76 76 LEU CA C 91 59.200 59.200 57.915 1.285 17645
768 1 2 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.109 0.401 17645
769 1 2 . 1 1 76 76 LEU H H 91 8.280 8.280 7.774 0.506 17645
770 1 2 . 1 1 77 77 SER N N 92 113.817 113.817 114.910 -1.093 17645
771 1 2 . 1 1 77 77 SER HA H 92 4.235 4.235 4.075 0.160 17645
772 1 2 . 1 1 77 77 SER CA C 92 62.200 62.200 62.100 0.100 17645
773 1 2 . 1 1 77 77 SER CB C 92 63.440 63.440 62.745 0.695 17645
774 1 2 . 1 1 77 77 SER H H 92 8.219 8.219 7.902 0.317 17645
775 1 2 . 1 1 78 78 ALA N N 93 124.902 124.902 124.768 0.134 17645
776 1 2 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.131 0.035 17645
777 1 2 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.970 0.890 17645
778 1 2 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.318 0.442 17645
779 1 2 . 1 1 78 78 ALA H H 93 7.949 7.949 8.037 -0.088 17645
780 1 2 . 1 1 79 79 LEU N N 94 120.602 120.602 119.127 1.475 17645
781 1 2 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.927 0.140 17645
782 1 2 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.340 0.130 17645
783 1 2 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.482 1.128 17645
784 1 2 . 1 1 79 79 LEU H H 94 8.587 8.587 8.464 0.123 17645
785 1 2 . 1 1 80 80 GLN N N 95 119.525 119.525 118.589 0.936 17645
786 1 2 . 1 1 80 80 GLN HA H 95 4.048 4.048 4.008 0.040 17645
787 1 2 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.140 0.450 17645
788 1 2 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.173 0.667 17645
789 1 2 . 1 1 80 80 GLN H H 95 8.561 8.561 8.486 0.075 17645
790 1 2 . 1 1 81 81 LYS N N 96 121.075 121.075 119.408 1.667 17645
791 1 2 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.098 0.039 17645
792 1 2 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.270 0.780 17645
793 1 2 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.971 0.969 17645
794 1 2 . 1 1 81 81 LYS H H 96 8.003 8.003 7.853 0.150 17645
795 1 2 . 1 1 82 82 LYS N N 97 121.415 121.415 120.300 1.115 17645
796 1 2 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.998 0.127 17645
797 1 2 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.799 0.171 17645
798 1 2 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.508 0.612 17645
799 1 2 . 1 1 82 82 LYS H H 97 7.903 7.903 7.783 0.120 17645
800 1 2 . 1 1 83 83 LYS N N 98 121.081 121.081 119.082 1.999 17645
801 1 2 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.041 -0.059 17645
802 1 2 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.057 0.952 17645
803 1 2 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.932 1.188 17645
804 1 2 . 1 1 83 83 LYS H H 98 8.202 8.202 7.780 0.422 17645
805 1 2 . 1 1 84 84 GLN N N 99 119.576 119.576 118.468 1.108 17645
806 1 2 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.165 -0.041 17645
807 1 2 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.883 1.927 17645
808 1 2 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.361 0.599 17645
809 1 2 . 1 1 84 84 GLN H H 99 8.125 8.125 8.083 0.042 17645
810 1 2 . 1 1 85 85 GLN N N 100 120.009 120.009 118.778 1.231 17645
811 1 2 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.169 -0.048 17645
812 1 2 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.720 2.870 17645
813 1 2 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.598 -0.578 17645
814 1 2 . 1 1 85 85 GLN H H 100 8.341 8.341 7.590 0.751 17645
815 1 2 . 1 1 86 86 GLU N N 101 121.718 121.718 117.361 4.357 17645
816 1 2 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.865 0.270 17645
817 1 2 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.731 2.699 17645
818 1 2 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.343 0.797 17645
819 1 2 . 1 1 86 86 GLU H H 101 8.275 8.275 8.400 -0.125 17645
820 1 2 . 1 1 87 87 GLU N N 102 121.412 121.412 119.263 2.149 17645
821 1 2 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.258 -0.142 17645
822 1 2 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.823 2.137 17645
823 1 2 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.421 -0.131 17645
824 1 2 . 1 1 87 87 GLU H H 102 8.330 8.330 8.740 -0.410 17645
825 1 3 . 1 1 2 2 GLY N N 17 110.356 110.356 111.511 -1.155 17645
826 1 3 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.902 0.708 17645
827 1 3 . 1 1 2 2 GLY H H 17 8.065 8.065 8.627 -0.562 17645
828 1 3 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.268 0.125 17645
829 1 3 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.928 0.742 17645
830 1 3 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.073 0.627 17645
831 1 3 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.979 1.751 17645
832 1 3 . 1 1 5 5 SER HA H 20 4.192 4.192 4.411 -0.219 17645
833 1 3 . 1 1 5 5 SER CA C 20 60.960 60.960 59.644 1.316 17645
834 1 3 . 1 1 5 5 SER CB C 20 64.250 64.250 63.599 0.651 17645
835 1 3 . 1 1 6 6 LEU N N 21 122.731 122.731 125.018 -2.287 17645
836 1 3 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.008 0.112 17645
837 1 3 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.875 -0.155 17645
838 1 3 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.614 1.356 17645
839 1 3 . 1 1 6 6 LEU H H 21 8.052 8.052 7.814 0.238 17645
840 1 3 . 1 1 7 7 VAL N N 22 119.948 119.948 118.110 1.838 17645
841 1 3 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.585 0.168 17645
842 1 3 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.550 -1.200 17645
843 1 3 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.854 0.746 17645
844 1 3 . 1 1 7 7 VAL H H 22 7.676 7.676 8.230 -0.554 17645
845 1 3 . 1 1 8 8 LYS N N 23 122.400 122.400 119.176 3.224 17645
846 1 3 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.070 0.117 17645
847 1 3 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.021 -0.191 17645
848 1 3 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.881 0.680 17645
849 1 3 . 1 1 8 8 LYS H H 23 7.830 7.830 7.605 0.225 17645
850 1 3 . 1 1 9 9 VAL N N 24 121.205 121.205 118.598 2.607 17645
851 1 3 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.691 0.135 17645
852 1 3 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.532 0.327 17645
853 1 3 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.378 1.073 17645
854 1 3 . 1 1 9 9 VAL H H 24 8.194 8.194 7.597 0.597 17645
855 1 3 . 1 1 10 10 GLY N N 25 107.900 107.900 106.406 1.494 17645
856 1 3 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.485 0.175 17645
857 1 3 . 1 1 10 10 GLY H H 25 8.446 8.446 8.071 0.375 17645
858 1 3 . 1 1 11 11 THR N N 26 116.800 116.800 119.384 -2.584 17645
859 1 3 . 1 1 11 11 THR HA H 26 4.109 4.109 3.945 0.164 17645
860 1 3 . 1 1 11 11 THR CA C 26 66.300 66.300 66.378 -0.078 17645
861 1 3 . 1 1 11 11 THR CB C 26 69.690 69.690 68.423 1.267 17645
862 1 3 . 1 1 11 11 THR H H 26 7.992 7.992 7.750 0.242 17645
863 1 3 . 1 1 12 12 LEU N N 27 123.983 123.983 122.947 1.036 17645
864 1 3 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.001 0.126 17645
865 1 3 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.123 0.347 17645
866 1 3 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.678 1.131 17645
867 1 3 . 1 1 12 12 LEU H H 27 7.934 7.934 8.000 -0.066 17645
868 1 3 . 1 1 13 13 LYS N N 28 117.513 117.513 118.939 -1.426 17645
869 1 3 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.727 0.176 17645
870 1 3 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.144 0.006 17645
871 1 3 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.198 0.532 17645
872 1 3 . 1 1 13 13 LYS H H 28 7.824 7.824 7.856 -0.032 17645
873 1 3 . 1 1 14 14 LYS N N 29 119.275 119.275 118.657 0.618 17645
874 1 3 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.985 0.166 17645
875 1 3 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.603 -0.144 17645
876 1 3 . 1 1 14 14 LYS CB C 29 32.750 32.750 31.995 0.755 17645
877 1 3 . 1 1 14 14 LYS H H 29 7.685 7.685 7.620 0.065 17645
878 1 3 . 1 1 15 15 ARG N N 30 119.090 119.090 120.023 -0.933 17645
879 1 3 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.783 0.277 17645
880 1 3 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.365 0.664 17645
881 1 3 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.179 1.331 17645
882 1 3 . 1 1 15 15 ARG H H 30 7.709 7.709 7.269 0.440 17645
883 1 3 . 1 1 16 16 LEU N N 31 118.473 118.473 120.527 -2.054 17645
884 1 3 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.722 0.255 17645
885 1 3 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.929 0.151 17645
886 1 3 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.507 -0.187 17645
887 1 3 . 1 1 16 16 LEU H H 31 7.595 7.595 7.984 -0.389 17645
888 1 3 . 1 1 17 17 ASP N N 32 120.020 120.020 118.956 1.064 17645
889 1 3 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.228 0.211 17645
890 1 3 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.047 -0.067 17645
891 1 3 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.419 0.461 17645
892 1 3 . 1 1 17 17 ASP H H 32 7.858 7.858 7.747 0.111 17645
893 1 3 . 1 1 18 18 LYS N N 33 119.708 119.708 120.507 -0.799 17645
894 1 3 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.991 0.207 17645
895 1 3 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.649 -0.179 17645
896 1 3 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.693 0.497 17645
897 1 3 . 1 1 18 18 LYS H H 33 7.564 7.564 7.418 0.146 17645
898 1 3 . 1 1 19 19 PHE N N 34 118.256 118.256 117.361 0.895 17645
899 1 3 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.239 0.012 17645
900 1 3 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.600 1.110 17645
901 1 3 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.584 1.166 17645
902 1 3 . 1 1 19 19 PHE H H 34 7.884 7.884 7.307 0.577 17645
903 1 3 . 1 1 20 20 ASN N N 35 117.779 117.779 118.488 -0.709 17645
904 1 3 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.410 0.050 17645
905 1 3 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.985 0.365 17645
906 1 3 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.242 0.758 17645
907 1 3 . 1 1 20 20 ASN H H 35 8.054 8.054 8.053 0.001 17645
908 1 3 . 1 1 21 21 GLU N N 36 120.312 120.312 121.188 -0.876 17645
909 1 3 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.069 0.037 17645
910 1 3 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.719 0.051 17645
911 1 3 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.694 0.817 17645
912 1 3 . 1 1 21 21 GLU H H 36 7.983 7.983 7.732 0.251 17645
913 1 3 . 1 1 22 22 VAL N N 37 119.756 119.756 119.130 0.626 17645
914 1 3 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.715 0.127 17645
915 1 3 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.396 -0.286 17645
916 1 3 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.677 1.002 17645
917 1 3 . 1 1 22 22 VAL H H 37 7.670 7.670 7.731 -0.061 17645
918 1 3 . 1 1 23 23 VAL N N 38 118.300 118.300 118.918 -0.618 17645
919 1 3 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.706 -0.029 17645
920 1 3 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.792 0.758 17645
921 1 3 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.385 1.095 17645
922 1 3 . 1 1 23 23 VAL H H 38 8.159 8.159 8.281 -0.122 17645
923 1 3 . 1 1 24 24 SER N N 39 113.952 113.952 116.085 -2.133 17645
924 1 3 . 1 1 24 24 SER HA H 39 4.170 4.170 4.051 0.119 17645
925 1 3 . 1 1 24 24 SER CA C 39 61.880 61.880 61.187 0.693 17645
926 1 3 . 1 1 24 24 SER CB C 39 63.740 63.740 63.139 0.601 17645
927 1 3 . 1 1 24 24 SER H H 39 7.773 7.773 8.319 -0.546 17645
928 1 3 . 1 1 25 25 ALA N N 40 122.572 122.572 121.350 1.222 17645
929 1 3 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.182 0.243 17645
930 1 3 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.947 -1.067 17645
931 1 3 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.134 1.316 17645
932 1 3 . 1 1 25 25 ALA H H 40 7.436 7.436 7.633 -0.197 17645
933 1 3 . 1 1 26 26 LEU N N 41 120.677 120.677 114.688 5.989 17645
934 1 3 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.717 -0.336 17645
935 1 3 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.852 2.008 17645
936 1 3 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.419 1.770 17645
937 1 3 . 1 1 26 26 LEU H H 41 7.499 7.499 7.403 0.096 17645
938 1 3 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.985 0.300 17645
939 1 3 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.743 -0.493 17645
940 1 3 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.356 1.514 17645
941 1 3 . 1 1 28 28 ASP N N 43 120.989 120.989 118.481 2.508 17645
942 1 3 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.423 0.378 17645
943 1 3 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.058 -0.498 17645
944 1 3 . 1 1 28 28 ASP CB C 43 43.440 43.440 39.046 4.394 17645
945 1 3 . 1 1 28 28 ASP H H 43 8.513 8.513 8.095 0.418 17645
946 1 3 . 1 1 29 29 GLY N N 44 108.379 108.379 111.744 -3.365 17645
947 1 3 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.054 1.486 17645
948 1 3 . 1 1 29 29 GLY H H 44 8.425 8.425 8.185 0.240 17645
949 1 3 . 1 1 30 30 LYS N N 45 119.932 119.932 120.631 -0.699 17645
950 1 3 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.411 -0.332 17645
951 1 3 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.935 0.585 17645
952 1 3 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.858 0.212 17645
953 1 3 . 1 1 30 30 LYS H H 45 8.269 8.269 7.746 0.523 17645
954 1 3 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.204 0.104 17645
955 1 3 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.987 1.053 17645
956 1 3 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.279 0.541 17645
957 1 3 . 1 1 32 32 GLU N N 47 118.526 118.526 117.400 1.126 17645
958 1 3 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.020 0.113 17645
959 1 3 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.910 0.260 17645
960 1 3 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.218 0.692 17645
961 1 3 . 1 1 32 32 GLU H H 47 8.189 8.189 8.383 -0.194 17645
962 1 3 . 1 1 33 33 VAL N N 48 120.183 120.183 119.759 0.424 17645
963 1 3 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.606 0.306 17645
964 1 3 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.731 -0.430 17645
965 1 3 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.262 1.099 17645
966 1 3 . 1 1 33 33 VAL H H 48 7.744 7.744 7.389 0.355 17645
967 1 3 . 1 1 34 34 ASN N N 49 119.700 119.700 117.442 2.258 17645
968 1 3 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.441 0.009 17645
969 1 3 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.118 0.932 17645
970 1 3 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.848 0.802 17645
971 1 3 . 1 1 34 34 ASN H H 49 8.582 8.582 8.660 -0.078 17645
972 1 3 . 1 1 35 35 ARG N N 50 121.009 121.009 120.998 0.011 17645
973 1 3 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.072 0.065 17645
974 1 3 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.690 0.080 17645
975 1 3 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.183 0.587 17645
976 1 3 . 1 1 35 35 ARG H H 50 7.848 7.848 7.973 -0.125 17645
977 1 3 . 1 1 36 36 GLN N N 51 119.394 119.394 119.238 0.156 17645
978 1 3 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.100 -0.037 17645
979 1 3 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.939 1.071 17645
980 1 3 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.901 0.869 17645
981 1 3 . 1 1 36 36 GLN H H 51 7.685 7.685 7.703 -0.018 17645
982 1 3 . 1 1 37 37 ILE N N 52 122.006 122.006 119.169 2.837 17645
983 1 3 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.725 -0.271 17645
984 1 3 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.494 0.806 17645
985 1 3 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.402 1.498 17645
986 1 3 . 1 1 37 37 ILE H H 52 8.293 8.293 8.847 -0.554 17645
987 1 3 . 1 1 38 38 LYS N N 53 121.163 121.163 120.856 0.307 17645
988 1 3 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.028 0.143 17645
989 1 3 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.185 -1.135 17645
990 1 3 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.370 -0.440 17645
991 1 3 . 1 1 38 38 LYS H H 53 8.169 8.169 7.881 0.288 17645
992 1 3 . 1 1 39 39 ASN N N 54 117.219 117.219 117.924 -0.705 17645
993 1 3 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.469 0.014 17645
994 1 3 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.834 0.776 17645
995 1 3 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.675 0.765 17645
996 1 3 . 1 1 39 39 ASN H H 54 8.171 8.171 7.979 0.192 17645
997 1 3 . 1 1 40 40 LEU N N 55 123.907 123.907 120.943 2.964 17645
998 1 3 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.106 0.099 17645
999 1 3 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.061 0.779 17645
1000 1 3 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.803 0.267 17645
1001 1 3 . 1 1 40 40 LEU H H 55 7.702 7.702 7.876 -0.174 17645
1002 1 3 . 1 1 41 41 GLU N N 56 121.779 121.779 120.834 0.945 17645
1003 1 3 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.942 -0.240 17645
1004 1 3 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.675 1.775 17645
1005 1 3 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.473 0.857 17645
1006 1 3 . 1 1 41 41 GLU H H 56 8.442 8.442 8.087 0.355 17645
1007 1 3 . 1 1 42 42 ILE N N 57 119.133 119.133 120.227 -1.094 17645
1008 1 3 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.718 0.165 17645
1009 1 3 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.342 0.208 17645
1010 1 3 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.855 1.095 17645
1011 1 3 . 1 1 42 42 ILE H H 57 8.531 8.531 8.306 0.225 17645
1012 1 3 . 1 1 43 43 SER N N 58 118.622 118.622 116.631 1.991 17645
1013 1 3 . 1 1 43 43 SER HA H 58 4.322 4.322 4.108 0.214 17645
1014 1 3 . 1 1 43 43 SER CA C 58 62.940 62.940 62.483 0.457 17645
1015 1 3 . 1 1 43 43 SER CB C 58 63.500 63.500 62.942 0.558 17645
1016 1 3 . 1 1 43 43 SER H H 58 8.027 8.027 7.626 0.401 17645
1017 1 3 . 1 1 44 44 ILE N N 59 126.416 126.416 121.963 4.453 17645
1018 1 3 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.623 0.005 17645
1019 1 3 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.549 1.361 17645
1020 1 3 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.745 1.415 17645
1021 1 3 . 1 1 44 44 ILE H H 59 8.543 8.543 8.063 0.480 17645
1022 1 3 . 1 1 45 45 ASP N N 60 121.563 121.563 119.800 1.763 17645
1023 1 3 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.308 0.099 17645
1024 1 3 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.784 0.496 17645
1025 1 3 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.679 0.081 17645
1026 1 3 . 1 1 45 45 ASP H H 60 8.406 8.406 7.889 0.517 17645
1027 1 3 . 1 1 46 46 ALA N N 61 123.500 123.500 122.776 0.724 17645
1028 1 3 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.046 0.156 17645
1029 1 3 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.135 0.575 17645
1030 1 3 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.421 0.239 17645
1031 1 3 . 1 1 46 46 ALA H H 61 8.538 8.538 8.179 0.359 17645
1032 1 3 . 1 1 47 47 LEU N N 62 121.942 121.942 119.740 2.202 17645
1033 1 3 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.886 0.408 17645
1034 1 3 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.641 0.019 17645
1035 1 3 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.845 -0.705 17645
1036 1 3 . 1 1 47 47 LEU H H 62 7.801 7.801 7.726 0.075 17645
1037 1 3 . 1 1 48 48 MET N N 63 118.068 118.068 118.794 -0.726 17645
1038 1 3 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645
1039 1 3 . 1 1 48 48 MET CA C 63 60.330 60.330 59.214 1.116 17645
1040 1 3 . 1 1 48 48 MET CB C 63 33.110 33.110 32.436 0.674 17645
1041 1 3 . 1 1 48 48 MET H H 63 8.261 8.261 7.796 0.465 17645
1042 1 3 . 1 1 49 49 ALA N N 64 120.428 120.428 118.177 2.251 17645
1043 1 3 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.101 -0.000 17645
1044 1 3 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.497 1.273 17645
1045 1 3 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.370 0.400 17645
1046 1 3 . 1 1 49 49 ALA H H 64 8.045 8.045 7.769 0.276 17645
1047 1 3 . 1 1 50 50 LYS N N 65 121.947 121.947 116.598 5.349 17645
1048 1 3 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.254 -0.215 17645
1049 1 3 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.378 2.142 17645
1050 1 3 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.880 0.800 17645
1051 1 3 . 1 1 50 50 LYS H H 65 8.063 8.063 7.647 0.416 17645
1052 1 3 . 1 1 51 51 ILE N N 66 121.189 121.189 118.175 3.014 17645
1053 1 3 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.956 -0.206 17645
1054 1 3 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.880 2.860 17645
1055 1 3 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.200 1.920 17645
1056 1 3 . 1 1 51 51 ILE H H 66 8.437 8.437 8.386 0.051 17645
1057 1 3 . 1 1 52 52 LYS N N 67 117.119 117.119 118.222 -1.103 17645
1058 1 3 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.460 -0.324 17645
1059 1 3 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.394 2.816 17645
1060 1 3 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.847 0.833 17645
1061 1 3 . 1 1 52 52 LYS H H 67 7.622 7.622 7.780 -0.158 17645
1062 1 3 . 1 1 53 53 SER N N 68 111.824 111.824 114.279 -2.455 17645
1063 1 3 . 1 1 53 53 SER HA H 68 4.602 4.602 4.670 -0.068 17645
1064 1 3 . 1 1 53 53 SER CA C 68 59.960 59.960 58.100 1.860 17645
1065 1 3 . 1 1 53 53 SER CB C 68 65.750 65.750 63.745 2.005 17645
1066 1 3 . 1 1 53 53 SER H H 68 7.750 7.750 7.692 0.058 17645
1067 1 3 . 1 1 54 54 THR N N 69 115.916 115.916 113.243 2.673 17645
1068 1 3 . 1 1 54 54 THR HA H 69 4.596 4.596 4.484 0.112 17645
1069 1 3 . 1 1 54 54 THR CA C 69 62.460 62.460 61.514 0.946 17645
1070 1 3 . 1 1 54 54 THR CB C 69 71.650 71.650 69.638 2.012 17645
1071 1 3 . 1 1 54 54 THR H H 69 7.972 7.972 7.228 0.744 17645
1072 1 3 . 1 1 55 55 MET N N 70 121.343 121.343 119.958 1.385 17645
1073 1 3 . 1 1 55 55 MET HA H 70 4.551 4.551 4.681 -0.130 17645
1074 1 3 . 1 1 55 55 MET CA C 70 56.050 56.050 54.646 1.404 17645
1075 1 3 . 1 1 55 55 MET CB C 70 32.500 32.500 33.361 -0.862 17645
1076 1 3 . 1 1 55 55 MET H H 70 8.306 8.306 8.346 -0.040 17645
1077 1 3 . 1 1 56 56 MET N N 71 123.196 123.196 121.349 1.847 17645
1078 1 3 . 1 1 56 56 MET HA H 71 4.706 4.706 4.311 0.395 17645
1079 1 3 . 1 1 56 56 MET CA C 71 55.860 55.860 56.217 -0.357 17645
1080 1 3 . 1 1 56 56 MET CB C 71 37.620 37.620 33.214 4.406 17645
1081 1 3 . 1 1 56 56 MET H H 71 8.114 8.114 7.453 0.661 17645
1082 1 3 . 1 1 57 57 THR N N 72 113.158 113.158 119.968 -6.810 17645
1083 1 3 . 1 1 57 57 THR HA H 72 4.483 4.483 4.404 0.079 17645
1084 1 3 . 1 1 57 57 THR CA C 72 61.080 61.080 62.642 -1.562 17645
1085 1 3 . 1 1 57 57 THR CB C 72 71.670 71.670 70.099 1.571 17645
1086 1 3 . 1 1 57 57 THR H H 72 8.486 8.486 8.256 0.230 17645
1087 1 3 . 1 1 58 58 ARG N N 73 121.911 121.911 124.429 -2.518 17645
1088 1 3 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.923 -0.014 17645
1089 1 3 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.398 1.122 17645
1090 1 3 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.940 0.390 17645
1091 1 3 . 1 1 58 58 ARG H H 73 8.961 8.961 8.936 0.025 17645
1092 1 3 . 1 1 59 59 GLU N N 74 118.955 118.955 119.579 -0.624 17645
1093 1 3 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.063 -0.031 17645
1094 1 3 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.488 1.402 17645
1095 1 3 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.743 1.217 17645
1096 1 3 . 1 1 59 59 GLU H H 74 8.833 8.833 8.667 0.166 17645
1097 1 3 . 1 1 60 60 GLN N N 75 121.077 121.077 118.791 2.286 17645
1098 1 3 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.117 -0.127 17645
1099 1 3 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.895 0.505 17645
1100 1 3 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.294 1.096 17645
1101 1 3 . 1 1 60 60 GLN H H 75 7.801 7.801 7.645 0.156 17645
1102 1 3 . 1 1 61 61 ILE N N 76 120.016 120.016 119.254 0.762 17645
1103 1 3 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.875 -0.446 17645
1104 1 3 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.437 3.423 17645
1105 1 3 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.808 1.902 17645
1106 1 3 . 1 1 61 61 ILE H H 76 8.250 8.250 7.458 0.792 17645
1107 1 3 . 1 1 62 62 GLN N N 77 119.153 119.153 120.495 -1.342 17645
1108 1 3 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.016 -0.249 17645
1109 1 3 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.141 0.629 17645
1110 1 3 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.125 0.955 17645
1111 1 3 . 1 1 62 62 GLN H H 77 8.295 8.295 8.242 0.053 17645
1112 1 3 . 1 1 63 63 LYS N N 78 118.200 118.200 120.030 -1.830 17645
1113 1 3 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.067 0.087 17645
1114 1 3 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.473 0.677 17645
1115 1 3 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.186 1.124 17645
1116 1 3 . 1 1 63 63 LYS H H 78 7.839 7.839 7.886 -0.047 17645
1117 1 3 . 1 1 64 64 GLU N N 79 120.133 120.133 120.175 -0.042 17645
1118 1 3 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.002 0.140 17645
1119 1 3 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.498 0.832 17645
1120 1 3 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.700 0.910 17645
1121 1 3 . 1 1 64 64 GLU H H 79 7.899 7.899 7.853 0.046 17645
1122 1 3 . 1 1 65 65 TYR N N 80 122.505 122.505 119.961 2.544 17645
1123 1 3 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.217 -0.275 17645
1124 1 3 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.465 1.296 17645
1125 1 3 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.461 1.009 17645
1126 1 3 . 1 1 65 65 TYR H H 80 9.023 9.023 8.243 0.780 17645
1127 1 3 . 1 1 66 66 ASP N N 81 120.497 120.497 119.640 0.857 17645
1128 1 3 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.489 -0.272 17645
1129 1 3 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.119 0.981 17645
1130 1 3 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.591 0.049 17645
1131 1 3 . 1 1 66 66 ASP H H 81 9.089 9.089 7.808 1.281 17645
1132 1 3 . 1 1 67 67 ALA N N 82 122.397 122.397 122.481 -0.084 17645
1133 1 3 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.110 0.077 17645
1134 1 3 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.110 0.720 17645
1135 1 3 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.462 0.458 17645
1136 1 3 . 1 1 67 67 ALA H H 82 7.636 7.636 8.335 -0.699 17645
1137 1 3 . 1 1 68 68 LEU N N 83 121.806 121.806 118.416 3.390 17645
1138 1 3 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.039 0.106 17645
1139 1 3 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.819 0.461 17645
1140 1 3 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.892 0.968 17645
1141 1 3 . 1 1 68 68 LEU H H 83 7.727 7.727 7.651 0.076 17645
1142 1 3 . 1 1 69 69 VAL N N 84 123.560 123.560 120.451 3.109 17645
1143 1 3 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.689 -0.384 17645
1144 1 3 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.058 1.982 17645
1145 1 3 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.818 1.372 17645
1146 1 3 . 1 1 69 69 VAL H H 84 8.560 8.560 7.847 0.713 17645
1147 1 3 . 1 1 70 70 LYS N N 85 121.398 121.398 120.462 0.936 17645
1148 1 3 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.074 0.018 17645
1149 1 3 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.333 0.917 17645
1150 1 3 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.181 0.579 17645
1151 1 3 . 1 1 70 70 LYS H H 85 7.956 7.956 8.385 -0.429 17645
1152 1 3 . 1 1 71 71 SER N N 86 114.825 114.825 114.976 -0.151 17645
1153 1 3 . 1 1 71 71 SER HA H 86 4.298 4.298 4.117 0.181 17645
1154 1 3 . 1 1 71 71 SER CA C 86 62.810 62.810 61.833 0.977 17645
1155 1 3 . 1 1 71 71 SER CB C 86 63.640 63.640 63.044 0.596 17645
1156 1 3 . 1 1 71 71 SER H H 86 8.284 8.284 7.845 0.439 17645
1157 1 3 . 1 1 72 72 SER N N 87 118.845 118.845 118.426 0.419 17645
1158 1 3 . 1 1 72 72 SER HA H 87 4.269 4.269 3.968 0.301 17645
1159 1 3 . 1 1 72 72 SER CA C 87 62.940 62.940 61.769 1.171 17645
1160 1 3 . 1 1 72 72 SER CB C 87 63.870 63.870 63.038 0.832 17645
1161 1 3 . 1 1 72 72 SER H H 87 8.421 8.421 8.266 0.155 17645
1162 1 3 . 1 1 73 73 GLU N N 88 124.809 124.809 120.613 4.196 17645
1163 1 3 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.852 0.200 17645
1164 1 3 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.540 0.690 17645
1165 1 3 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.178 1.052 17645
1166 1 3 . 1 1 73 73 GLU H H 88 8.376 8.376 7.767 0.609 17645
1167 1 3 . 1 1 74 74 ASP N N 89 122.193 122.193 119.056 3.137 17645
1168 1 3 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.418 -0.007 17645
1169 1 3 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.931 0.979 17645
1170 1 3 . 1 1 74 74 ASP CB C 89 40.580 40.580 41.084 -0.504 17645
1171 1 3 . 1 1 74 74 ASP H H 89 8.734 8.734 7.798 0.936 17645
1172 1 3 . 1 1 75 75 LEU N N 90 123.280 123.280 121.384 1.896 17645
1173 1 3 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.049 0.241 17645
1174 1 3 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.546 1.014 17645
1175 1 3 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.050 -0.020 17645
1176 1 3 . 1 1 75 75 LEU H H 90 7.986 7.986 7.084 0.902 17645
1177 1 3 . 1 1 76 76 LEU N N 91 120.488 120.488 119.200 1.288 17645
1178 1 3 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.732 0.106 17645
1179 1 3 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.265 0.935 17645
1180 1 3 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.008 0.502 17645
1181 1 3 . 1 1 76 76 LEU H H 91 8.280 8.280 8.026 0.254 17645
1182 1 3 . 1 1 77 77 SER N N 92 113.817 113.817 114.680 -0.863 17645
1183 1 3 . 1 1 77 77 SER HA H 92 4.235 4.235 4.030 0.205 17645
1184 1 3 . 1 1 77 77 SER CA C 92 62.200 62.200 62.165 0.035 17645
1185 1 3 . 1 1 77 77 SER CB C 92 63.440 63.440 62.899 0.541 17645
1186 1 3 . 1 1 77 77 SER H H 92 8.219 8.219 7.926 0.293 17645
1187 1 3 . 1 1 78 78 ALA N N 93 124.902 124.902 124.047 0.855 17645
1188 1 3 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.146 0.020 17645
1189 1 3 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.020 0.840 17645
1190 1 3 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.323 0.437 17645
1191 1 3 . 1 1 78 78 ALA H H 93 7.949 7.949 7.548 0.401 17645
1192 1 3 . 1 1 79 79 LEU N N 94 120.602 120.602 116.446 4.156 17645
1193 1 3 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.981 0.086 17645
1194 1 3 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.768 0.702 17645
1195 1 3 . 1 1 79 79 LEU CB C 94 42.610 42.610 40.915 1.695 17645
1196 1 3 . 1 1 79 79 LEU H H 94 8.587 8.587 8.103 0.484 17645
1197 1 3 . 1 1 80 80 GLN N N 95 119.525 119.525 120.065 -0.540 17645
1198 1 3 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.888 0.160 17645
1199 1 3 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.733 -0.143 17645
1200 1 3 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.917 -0.077 17645
1201 1 3 . 1 1 80 80 GLN H H 95 8.561 8.561 8.696 -0.135 17645
1202 1 3 . 1 1 81 81 LYS N N 96 121.075 121.075 118.313 2.762 17645
1203 1 3 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.020 0.117 17645
1204 1 3 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.233 0.817 17645
1205 1 3 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.994 0.946 17645
1206 1 3 . 1 1 81 81 LYS H H 96 8.003 8.003 7.808 0.195 17645
1207 1 3 . 1 1 82 82 LYS N N 97 121.415 121.415 120.243 1.172 17645
1208 1 3 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.109 0.016 17645
1209 1 3 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.026 0.945 17645
1210 1 3 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.522 0.598 17645
1211 1 3 . 1 1 82 82 LYS H H 97 7.903 7.903 7.884 0.019 17645
1212 1 3 . 1 1 83 83 LYS N N 98 121.081 121.081 119.711 1.370 17645
1213 1 3 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.141 -0.159 17645
1214 1 3 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.686 1.324 17645
1215 1 3 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.038 1.082 17645
1216 1 3 . 1 1 83 83 LYS H H 98 8.202 8.202 7.923 0.279 17645
1217 1 3 . 1 1 84 84 GLN N N 99 119.576 119.576 117.903 1.673 17645
1218 1 3 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.154 -0.030 17645
1219 1 3 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.278 1.532 17645
1220 1 3 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.228 -0.268 17645
1221 1 3 . 1 1 84 84 GLN H H 99 8.125 8.125 7.945 0.180 17645
1222 1 3 . 1 1 85 85 GLN N N 100 120.009 120.009 116.203 3.806 17645
1223 1 3 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.164 -0.043 17645
1224 1 3 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.882 2.708 17645
1225 1 3 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.355 -0.334 17645
1226 1 3 . 1 1 85 85 GLN H H 100 8.341 8.341 7.868 0.473 17645
1227 1 3 . 1 1 86 86 GLU N N 101 121.718 121.718 118.705 3.013 17645
1228 1 3 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.878 0.257 17645
1229 1 3 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.825 1.605 17645
1230 1 3 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.527 1.613 17645
1231 1 3 . 1 1 86 86 GLU H H 101 8.275 8.275 8.272 0.003 17645
1232 1 3 . 1 1 87 87 GLU N N 102 121.412 121.412 117.497 3.915 17645
1233 1 3 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.004 0.112 17645
1234 1 3 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.321 2.639 17645
1235 1 3 . 1 1 87 87 GLU CB C 102 30.290 30.290 28.740 1.550 17645
1236 1 3 . 1 1 87 87 GLU H H 102 8.330 8.330 8.228 0.102 17645
1237 1 4 . 1 1 2 2 GLY N N 17 110.356 110.356 111.823 -1.467 17645
1238 1 4 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.270 1.340 17645
1239 1 4 . 1 1 2 2 GLY H H 17 8.065 8.065 8.421 -0.356 17645
1240 1 4 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.468 -0.075 17645
1241 1 4 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.841 1.829 17645
1242 1 4 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.512 2.188 17645
1243 1 4 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.078 1.652 17645
1244 1 4 . 1 1 5 5 SER HA H 20 4.192 4.192 4.432 -0.240 17645
1245 1 4 . 1 1 5 5 SER CA C 20 60.960 60.960 59.078 1.881 17645
1246 1 4 . 1 1 5 5 SER CB C 20 64.250 64.250 63.758 0.492 17645
1247 1 4 . 1 1 6 6 LEU N N 21 122.731 122.731 123.857 -1.126 17645
1248 1 4 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.052 0.068 17645
1249 1 4 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.558 -0.838 17645
1250 1 4 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.772 1.198 17645
1251 1 4 . 1 1 6 6 LEU H H 21 8.052 8.052 8.395 -0.343 17645
1252 1 4 . 1 1 7 7 VAL N N 22 119.948 119.948 119.091 0.857 17645
1253 1 4 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.689 0.064 17645
1254 1 4 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.382 -1.032 17645
1255 1 4 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.535 1.065 17645
1256 1 4 . 1 1 7 7 VAL H H 22 7.676 7.676 8.073 -0.397 17645
1257 1 4 . 1 1 8 8 LYS N N 23 122.400 122.400 119.131 3.269 17645
1258 1 4 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.118 0.069 17645
1259 1 4 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.722 -0.892 17645
1260 1 4 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.370 0.190 17645
1261 1 4 . 1 1 8 8 LYS H H 23 7.830 7.830 7.538 0.292 17645
1262 1 4 . 1 1 9 9 VAL N N 24 121.205 121.205 118.725 2.480 17645
1263 1 4 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.652 0.174 17645
1264 1 4 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.303 0.557 17645
1265 1 4 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.450 1.000 17645
1266 1 4 . 1 1 9 9 VAL H H 24 8.194 8.194 7.787 0.407 17645
1267 1 4 . 1 1 10 10 GLY N N 25 107.900 107.900 106.896 1.004 17645
1268 1 4 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.496 0.164 17645
1269 1 4 . 1 1 10 10 GLY H H 25 8.446 8.446 8.536 -0.090 17645
1270 1 4 . 1 1 11 11 THR N N 26 116.800 116.800 119.164 -2.364 17645
1271 1 4 . 1 1 11 11 THR HA H 26 4.109 4.109 3.984 0.125 17645
1272 1 4 . 1 1 11 11 THR CA C 26 66.300 66.300 66.625 -0.325 17645
1273 1 4 . 1 1 11 11 THR CB C 26 69.690 69.690 68.356 1.334 17645
1274 1 4 . 1 1 11 11 THR H H 26 7.992 7.992 7.933 0.059 17645
1275 1 4 . 1 1 12 12 LEU N N 27 123.983 123.983 122.317 1.666 17645
1276 1 4 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.980 0.147 17645
1277 1 4 . 1 1 12 12 LEU CA C 27 58.470 58.470 56.965 1.505 17645
1278 1 4 . 1 1 12 12 LEU CB C 27 42.810 42.810 40.621 2.189 17645
1279 1 4 . 1 1 12 12 LEU H H 27 7.934 7.934 7.936 -0.002 17645
1280 1 4 . 1 1 13 13 LYS N N 28 117.513 117.513 119.509 -1.996 17645
1281 1 4 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.832 0.071 17645
1282 1 4 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.821 0.329 17645
1283 1 4 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.019 0.711 17645
1284 1 4 . 1 1 13 13 LYS H H 28 7.824 7.824 7.792 0.032 17645
1285 1 4 . 1 1 14 14 LYS N N 29 119.275 119.275 119.023 0.252 17645
1286 1 4 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.950 0.201 17645
1287 1 4 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.573 -0.113 17645
1288 1 4 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.181 0.569 17645
1289 1 4 . 1 1 14 14 LYS H H 29 7.685 7.685 7.642 0.043 17645
1290 1 4 . 1 1 15 15 ARG N N 30 119.090 119.090 120.131 -1.041 17645
1291 1 4 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.774 0.286 17645
1292 1 4 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.325 0.705 17645
1293 1 4 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.489 1.021 17645
1294 1 4 . 1 1 15 15 ARG H H 30 7.709 7.709 7.489 0.220 17645
1295 1 4 . 1 1 16 16 LEU N N 31 118.473 118.473 121.259 -2.786 17645
1296 1 4 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.799 0.178 17645
1297 1 4 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.521 -0.441 17645
1298 1 4 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.635 -0.315 17645
1299 1 4 . 1 1 16 16 LEU H H 31 7.595 7.595 8.220 -0.625 17645
1300 1 4 . 1 1 17 17 ASP N N 32 120.020 120.020 118.619 1.401 17645
1301 1 4 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.214 0.225 17645
1302 1 4 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.790 0.190 17645
1303 1 4 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.743 0.137 17645
1304 1 4 . 1 1 17 17 ASP H H 32 7.858 7.858 7.713 0.145 17645
1305 1 4 . 1 1 18 18 LYS N N 33 119.708 119.708 120.381 -0.673 17645
1306 1 4 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.155 0.043 17645
1307 1 4 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.508 -0.037 17645
1308 1 4 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.677 0.513 17645
1309 1 4 . 1 1 18 18 LYS H H 33 7.564 7.564 7.348 0.216 17645
1310 1 4 . 1 1 19 19 PHE N N 34 118.256 118.256 117.518 0.738 17645
1311 1 4 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.209 0.042 17645
1312 1 4 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.935 0.775 17645
1313 1 4 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.800 0.951 17645
1314 1 4 . 1 1 19 19 PHE H H 34 7.884 7.884 7.288 0.596 17645
1315 1 4 . 1 1 20 20 ASN N N 35 117.779 117.779 117.918 -0.139 17645
1316 1 4 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.395 0.065 17645
1317 1 4 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.076 0.274 17645
1318 1 4 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.914 1.086 17645
1319 1 4 . 1 1 20 20 ASN H H 35 8.054 8.054 8.154 -0.100 17645
1320 1 4 . 1 1 21 21 GLU N N 36 120.312 120.312 120.942 -0.630 17645
1321 1 4 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.989 0.117 17645
1322 1 4 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.574 0.196 17645
1323 1 4 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.708 0.802 17645
1324 1 4 . 1 1 21 21 GLU H H 36 7.983 7.983 7.762 0.221 17645
1325 1 4 . 1 1 22 22 VAL N N 37 119.756 119.756 119.431 0.325 17645
1326 1 4 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.686 0.156 17645
1327 1 4 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.645 -0.535 17645
1328 1 4 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.642 1.038 17645
1329 1 4 . 1 1 22 22 VAL H H 37 7.670 7.670 7.714 -0.044 17645
1330 1 4 . 1 1 23 23 VAL N N 38 118.300 118.300 119.656 -1.356 17645
1331 1 4 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.574 0.103 17645
1332 1 4 . 1 1 23 23 VAL CA C 38 66.550 66.550 67.060 -0.510 17645
1333 1 4 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.327 1.153 17645
1334 1 4 . 1 1 23 23 VAL H H 38 8.159 8.159 8.164 -0.005 17645
1335 1 4 . 1 1 24 24 SER N N 39 113.952 113.952 115.929 -1.977 17645
1336 1 4 . 1 1 24 24 SER HA H 39 4.170 4.170 4.119 0.051 17645
1337 1 4 . 1 1 24 24 SER CA C 39 61.880 61.880 61.496 0.384 17645
1338 1 4 . 1 1 24 24 SER CB C 39 63.740 63.740 63.032 0.708 17645
1339 1 4 . 1 1 24 24 SER H H 39 7.773 7.773 8.327 -0.554 17645
1340 1 4 . 1 1 25 25 ALA N N 40 122.572 122.572 123.401 -0.829 17645
1341 1 4 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.179 0.246 17645
1342 1 4 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.391 -1.511 17645
1343 1 4 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.685 1.765 17645
1344 1 4 . 1 1 25 25 ALA H H 40 7.436 7.436 7.777 -0.341 17645
1345 1 4 . 1 1 26 26 LEU N N 41 120.677 120.677 116.625 4.052 17645
1346 1 4 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.139 0.242 17645
1347 1 4 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.719 0.141 17645
1348 1 4 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.514 0.676 17645
1349 1 4 . 1 1 26 26 LEU H H 41 7.499 7.499 7.452 0.047 17645
1350 1 4 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.047 0.238 17645
1351 1 4 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.707 0.543 17645
1352 1 4 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.027 2.843 17645
1353 1 4 . 1 1 28 28 ASP N N 43 120.989 120.989 117.693 3.296 17645
1354 1 4 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.778 0.023 17645
1355 1 4 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.419 1.141 17645
1356 1 4 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.295 0.145 17645
1357 1 4 . 1 1 28 28 ASP H H 43 8.513 8.513 7.800 0.713 17645
1358 1 4 . 1 1 29 29 GLY N N 44 108.379 108.379 111.163 -2.784 17645
1359 1 4 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.922 0.618 17645
1360 1 4 . 1 1 29 29 GLY H H 44 8.425 8.425 8.663 -0.238 17645
1361 1 4 . 1 1 30 30 LYS N N 45 119.932 119.932 119.781 0.151 17645
1362 1 4 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.117 -0.038 17645
1363 1 4 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.094 0.426 17645
1364 1 4 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.149 0.921 17645
1365 1 4 . 1 1 30 30 LYS H H 45 8.269 8.269 8.530 -0.261 17645
1366 1 4 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.277 0.031 17645
1367 1 4 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.093 0.947 17645
1368 1 4 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.992 0.827 17645
1369 1 4 . 1 1 32 32 GLU N N 47 118.526 118.526 119.042 -0.516 17645
1370 1 4 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.076 0.057 17645
1371 1 4 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.112 1.058 17645
1372 1 4 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.893 1.017 17645
1373 1 4 . 1 1 32 32 GLU H H 47 8.189 8.189 8.673 -0.484 17645
1374 1 4 . 1 1 33 33 VAL N N 48 120.183 120.183 120.756 -0.573 17645
1375 1 4 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.594 0.318 17645
1376 1 4 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.519 -0.218 17645
1377 1 4 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.134 1.226 17645
1378 1 4 . 1 1 33 33 VAL H H 48 7.744 7.744 8.051 -0.307 17645
1379 1 4 . 1 1 34 34 ASN N N 49 119.700 119.700 118.313 1.387 17645
1380 1 4 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.413 0.037 17645
1381 1 4 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.362 0.688 17645
1382 1 4 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.926 0.724 17645
1383 1 4 . 1 1 34 34 ASN H H 49 8.582 8.582 8.638 -0.056 17645
1384 1 4 . 1 1 35 35 ARG N N 50 121.009 121.009 120.945 0.064 17645
1385 1 4 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.016 0.121 17645
1386 1 4 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.458 0.312 17645
1387 1 4 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.212 0.558 17645
1388 1 4 . 1 1 35 35 ARG H H 50 7.848 7.848 8.044 -0.196 17645
1389 1 4 . 1 1 36 36 GLN N N 51 119.394 119.394 118.639 0.755 17645
1390 1 4 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.051 0.012 17645
1391 1 4 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.054 0.956 17645
1392 1 4 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.008 0.762 17645
1393 1 4 . 1 1 36 36 GLN H H 51 7.685 7.685 7.705 -0.020 17645
1394 1 4 . 1 1 37 37 ILE N N 52 122.006 122.006 119.490 2.516 17645
1395 1 4 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.688 -0.234 17645
1396 1 4 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.551 0.749 17645
1397 1 4 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.429 1.471 17645
1398 1 4 . 1 1 37 37 ILE H H 52 8.293 8.293 8.869 -0.576 17645
1399 1 4 . 1 1 38 38 LYS N N 53 121.163 121.163 120.692 0.471 17645
1400 1 4 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.000 0.171 17645
1401 1 4 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.590 -0.540 17645
1402 1 4 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.045 -0.115 17645
1403 1 4 . 1 1 38 38 LYS H H 53 8.169 8.169 7.820 0.349 17645
1404 1 4 . 1 1 39 39 ASN N N 54 117.219 117.219 118.493 -1.274 17645
1405 1 4 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.417 0.066 17645
1406 1 4 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.099 0.512 17645
1407 1 4 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.937 0.503 17645
1408 1 4 . 1 1 39 39 ASN H H 54 8.171 8.171 7.850 0.321 17645
1409 1 4 . 1 1 40 40 LEU N N 55 123.907 123.907 120.823 3.084 17645
1410 1 4 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.052 0.153 17645
1411 1 4 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.180 0.660 17645
1412 1 4 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.350 0.720 17645
1413 1 4 . 1 1 40 40 LEU H H 55 7.702 7.702 7.989 -0.287 17645
1414 1 4 . 1 1 41 41 GLU N N 56 121.779 121.779 119.390 2.389 17645
1415 1 4 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.986 -0.284 17645
1416 1 4 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.619 1.831 17645
1417 1 4 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.596 0.734 17645
1418 1 4 . 1 1 41 41 GLU H H 56 8.442 8.442 7.954 0.488 17645
1419 1 4 . 1 1 42 42 ILE N N 57 119.133 119.133 119.750 -0.617 17645
1420 1 4 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.725 0.158 17645
1421 1 4 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.040 0.510 17645
1422 1 4 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.831 1.119 17645
1423 1 4 . 1 1 42 42 ILE H H 57 8.531 8.531 8.473 0.058 17645
1424 1 4 . 1 1 43 43 SER N N 58 118.622 118.622 116.366 2.256 17645
1425 1 4 . 1 1 43 43 SER HA H 58 4.322 4.322 4.060 0.262 17645
1426 1 4 . 1 1 43 43 SER CA C 58 62.940 62.940 62.026 0.914 17645
1427 1 4 . 1 1 43 43 SER CB C 58 63.500 63.500 63.135 0.365 17645
1428 1 4 . 1 1 43 43 SER H H 58 8.027 8.027 7.874 0.153 17645
1429 1 4 . 1 1 44 44 ILE N N 59 126.416 126.416 121.991 4.425 17645
1430 1 4 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.575 0.053 17645
1431 1 4 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.561 1.349 17645
1432 1 4 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.764 1.395 17645
1433 1 4 . 1 1 44 44 ILE H H 59 8.543 8.543 8.411 0.132 17645
1434 1 4 . 1 1 45 45 ASP N N 60 121.563 121.563 119.671 1.892 17645
1435 1 4 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.282 0.125 17645
1436 1 4 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.748 0.532 17645
1437 1 4 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.771 -0.011 17645
1438 1 4 . 1 1 45 45 ASP H H 60 8.406 8.406 8.065 0.341 17645
1439 1 4 . 1 1 46 46 ALA N N 61 123.500 123.500 122.233 1.267 17645
1440 1 4 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.068 0.134 17645
1441 1 4 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.114 0.596 17645
1442 1 4 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.463 0.197 17645
1443 1 4 . 1 1 46 46 ALA H H 61 8.538 8.538 8.001 0.537 17645
1444 1 4 . 1 1 47 47 LEU N N 62 121.942 121.942 119.601 2.341 17645
1445 1 4 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.853 0.441 17645
1446 1 4 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.821 -0.161 17645
1447 1 4 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.793 -0.653 17645
1448 1 4 . 1 1 47 47 LEU H H 62 7.801 7.801 7.713 0.088 17645
1449 1 4 . 1 1 48 48 MET N N 63 118.068 118.068 116.687 1.381 17645
1450 1 4 . 1 1 48 48 MET HA H 63 3.945 3.945 3.931 0.014 17645
1451 1 4 . 1 1 48 48 MET CA C 63 60.330 60.330 58.663 1.667 17645
1452 1 4 . 1 1 48 48 MET CB C 63 33.110 33.110 30.944 2.166 17645
1453 1 4 . 1 1 48 48 MET H H 63 8.261 8.261 7.769 0.492 17645
1454 1 4 . 1 1 49 49 ALA N N 64 120.428 120.428 119.735 0.693 17645
1455 1 4 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.024 0.077 17645
1456 1 4 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.737 1.033 17645
1457 1 4 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.051 0.719 17645
1458 1 4 . 1 1 49 49 ALA H H 64 8.045 8.045 7.938 0.107 17645
1459 1 4 . 1 1 50 50 LYS N N 65 121.947 121.947 118.498 3.449 17645
1460 1 4 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.225 -0.186 17645
1461 1 4 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.835 1.685 17645
1462 1 4 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.695 0.985 17645
1463 1 4 . 1 1 50 50 LYS H H 65 8.063 8.063 7.815 0.248 17645
1464 1 4 . 1 1 51 51 ILE N N 66 121.189 121.189 118.224 2.965 17645
1465 1 4 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.913 -0.163 17645
1466 1 4 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.981 2.759 17645
1467 1 4 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.180 1.940 17645
1468 1 4 . 1 1 51 51 ILE H H 66 8.437 8.437 8.254 0.183 17645
1469 1 4 . 1 1 52 52 LYS N N 67 117.119 117.119 117.938 -0.819 17645
1470 1 4 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.349 -0.213 17645
1471 1 4 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.360 1.850 17645
1472 1 4 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.987 0.693 17645
1473 1 4 . 1 1 52 52 LYS H H 67 7.622 7.622 7.858 -0.236 17645
1474 1 4 . 1 1 53 53 SER N N 68 111.824 111.824 113.797 -1.973 17645
1475 1 4 . 1 1 53 53 SER HA H 68 4.602 4.602 4.578 0.024 17645
1476 1 4 . 1 1 53 53 SER CA C 68 59.960 59.960 58.844 1.115 17645
1477 1 4 . 1 1 53 53 SER CB C 68 65.750 65.750 63.772 1.978 17645
1478 1 4 . 1 1 53 53 SER H H 68 7.750 7.750 7.699 0.051 17645
1479 1 4 . 1 1 54 54 THR N N 69 115.916 115.916 112.302 3.614 17645
1480 1 4 . 1 1 54 54 THR HA H 69 4.596 4.596 4.463 0.133 17645
1481 1 4 . 1 1 54 54 THR CA C 69 62.460 62.460 61.263 1.197 17645
1482 1 4 . 1 1 54 54 THR CB C 69 71.650 71.650 70.183 1.467 17645
1483 1 4 . 1 1 54 54 THR H H 69 7.972 7.972 7.273 0.699 17645
1484 1 4 . 1 1 55 55 MET N N 70 121.343 121.343 121.172 0.171 17645
1485 1 4 . 1 1 55 55 MET HA H 70 4.551 4.551 4.677 -0.126 17645
1486 1 4 . 1 1 55 55 MET CA C 70 56.050 56.050 53.764 2.286 17645
1487 1 4 . 1 1 55 55 MET CB C 70 32.500 32.500 32.481 0.019 17645
1488 1 4 . 1 1 55 55 MET H H 70 8.306 8.306 8.543 -0.237 17645
1489 1 4 . 1 1 56 56 MET N N 71 123.196 123.196 120.033 3.163 17645
1490 1 4 . 1 1 56 56 MET HA H 71 4.706 4.706 4.335 0.371 17645
1491 1 4 . 1 1 56 56 MET CA C 71 55.860 55.860 56.319 -0.459 17645
1492 1 4 . 1 1 56 56 MET CB C 71 37.620 37.620 32.743 4.877 17645
1493 1 4 . 1 1 56 56 MET H H 71 8.114 8.114 7.562 0.552 17645
1494 1 4 . 1 1 57 57 THR N N 72 113.158 113.158 116.920 -3.762 17645
1495 1 4 . 1 1 57 57 THR HA H 72 4.483 4.483 4.552 -0.069 17645
1496 1 4 . 1 1 57 57 THR CA C 72 61.080 61.080 62.106 -1.026 17645
1497 1 4 . 1 1 57 57 THR CB C 72 71.670 71.670 70.034 1.636 17645
1498 1 4 . 1 1 57 57 THR H H 72 8.486 8.486 8.508 -0.022 17645
1499 1 4 . 1 1 58 58 ARG N N 73 121.911 121.911 124.618 -2.707 17645
1500 1 4 . 1 1 58 58 ARG HA H 73 3.909 3.909 4.050 -0.141 17645
1501 1 4 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.076 1.444 17645
1502 1 4 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.454 0.876 17645
1503 1 4 . 1 1 58 58 ARG H H 73 8.961 8.961 8.829 0.132 17645
1504 1 4 . 1 1 59 59 GLU N N 74 118.955 118.955 118.875 0.080 17645
1505 1 4 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.976 0.056 17645
1506 1 4 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.784 1.106 17645
1507 1 4 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.966 0.994 17645
1508 1 4 . 1 1 59 59 GLU H H 74 8.833 8.833 8.734 0.099 17645
1509 1 4 . 1 1 60 60 GLN N N 75 121.077 121.077 118.628 2.449 17645
1510 1 4 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.111 -0.121 17645
1511 1 4 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.939 0.461 17645
1512 1 4 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.343 1.047 17645
1513 1 4 . 1 1 60 60 GLN H H 75 7.801 7.801 7.601 0.200 17645
1514 1 4 . 1 1 61 61 ILE N N 76 120.016 120.016 118.774 1.242 17645
1515 1 4 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.839 -0.410 17645
1516 1 4 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.333 3.527 17645
1517 1 4 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.720 1.990 17645
1518 1 4 . 1 1 61 61 ILE H H 76 8.250 8.250 7.449 0.801 17645
1519 1 4 . 1 1 62 62 GLN N N 77 119.153 119.153 120.239 -1.086 17645
1520 1 4 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.045 -0.278 17645
1521 1 4 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.054 0.716 17645
1522 1 4 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.250 0.830 17645
1523 1 4 . 1 1 62 62 GLN H H 77 8.295 8.295 8.156 0.139 17645
1524 1 4 . 1 1 63 63 LYS N N 78 118.200 118.200 120.265 -2.065 17645
1525 1 4 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.025 0.129 17645
1526 1 4 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.313 0.837 17645
1527 1 4 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.219 1.091 17645
1528 1 4 . 1 1 63 63 LYS H H 78 7.839 7.839 7.833 0.006 17645
1529 1 4 . 1 1 64 64 GLU N N 79 120.133 120.133 119.443 0.690 17645
1530 1 4 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.991 0.151 17645
1531 1 4 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.483 0.848 17645
1532 1 4 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.607 1.003 17645
1533 1 4 . 1 1 64 64 GLU H H 79 7.899 7.899 7.853 0.046 17645
1534 1 4 . 1 1 65 65 TYR N N 80 122.505 122.505 119.696 2.809 17645
1535 1 4 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.225 -0.283 17645
1536 1 4 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.485 1.275 17645
1537 1 4 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.486 0.984 17645
1538 1 4 . 1 1 65 65 TYR H H 80 9.023 9.023 7.967 1.056 17645
1539 1 4 . 1 1 66 66 ASP N N 81 120.497 120.497 119.724 0.773 17645
1540 1 4 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.407 -0.190 17645
1541 1 4 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.087 1.013 17645
1542 1 4 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.744 -0.104 17645
1543 1 4 . 1 1 66 66 ASP H H 81 9.089 9.089 7.881 1.208 17645
1544 1 4 . 1 1 67 67 ALA N N 82 122.397 122.397 122.325 0.072 17645
1545 1 4 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.057 0.130 17645
1546 1 4 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.119 0.711 17645
1547 1 4 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.555 0.365 17645
1548 1 4 . 1 1 67 67 ALA H H 82 7.636 7.636 8.308 -0.672 17645
1549 1 4 . 1 1 68 68 LEU N N 83 121.806 121.806 117.951 3.855 17645
1550 1 4 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.051 0.094 17645
1551 1 4 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.544 0.737 17645
1552 1 4 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.804 1.056 17645
1553 1 4 . 1 1 68 68 LEU H H 83 7.727 7.727 7.650 0.077 17645
1554 1 4 . 1 1 69 69 VAL N N 84 123.560 123.560 120.439 3.121 17645
1555 1 4 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.605 -0.300 17645
1556 1 4 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.795 1.245 17645
1557 1 4 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.421 0.769 17645
1558 1 4 . 1 1 69 69 VAL H H 84 8.560 8.560 7.836 0.724 17645
1559 1 4 . 1 1 70 70 LYS N N 85 121.398 121.398 120.490 0.908 17645
1560 1 4 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.227 -0.135 17645
1561 1 4 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.029 1.221 17645
1562 1 4 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.114 0.646 17645
1563 1 4 . 1 1 70 70 LYS H H 85 7.956 7.956 8.441 -0.485 17645
1564 1 4 . 1 1 71 71 SER N N 86 114.825 114.825 114.654 0.171 17645
1565 1 4 . 1 1 71 71 SER HA H 86 4.298 4.298 4.167 0.131 17645
1566 1 4 . 1 1 71 71 SER CA C 86 62.810 62.810 62.047 0.763 17645
1567 1 4 . 1 1 71 71 SER CB C 86 63.640 63.640 63.168 0.472 17645
1568 1 4 . 1 1 71 71 SER H H 86 8.284 8.284 7.905 0.379 17645
1569 1 4 . 1 1 72 72 SER N N 87 118.845 118.845 117.909 0.936 17645
1570 1 4 . 1 1 72 72 SER HA H 87 4.269 4.269 3.969 0.300 17645
1571 1 4 . 1 1 72 72 SER CA C 87 62.940 62.940 61.912 1.028 17645
1572 1 4 . 1 1 72 72 SER CB C 87 63.870 63.870 63.089 0.781 17645
1573 1 4 . 1 1 72 72 SER H H 87 8.421 8.421 8.211 0.210 17645
1574 1 4 . 1 1 73 73 GLU N N 88 124.809 124.809 120.554 4.255 17645
1575 1 4 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.874 0.178 17645
1576 1 4 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.085 1.145 17645
1577 1 4 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.141 1.089 17645
1578 1 4 . 1 1 73 73 GLU H H 88 8.376 8.376 7.956 0.420 17645
1579 1 4 . 1 1 74 74 ASP N N 89 122.193 122.193 119.851 2.342 17645
1580 1 4 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.400 0.011 17645
1581 1 4 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.510 1.400 17645
1582 1 4 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.995 -0.415 17645
1583 1 4 . 1 1 74 74 ASP H H 89 8.734 8.734 7.766 0.968 17645
1584 1 4 . 1 1 75 75 LEU N N 90 123.280 123.280 121.415 1.865 17645
1585 1 4 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.022 0.268 17645
1586 1 4 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.109 0.451 17645
1587 1 4 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.941 0.089 17645
1588 1 4 . 1 1 75 75 LEU H H 90 7.986 7.986 7.356 0.630 17645
1589 1 4 . 1 1 76 76 LEU N N 91 120.488 120.488 118.384 2.104 17645
1590 1 4 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.875 -0.037 17645
1591 1 4 . 1 1 76 76 LEU CA C 91 59.200 59.200 57.787 1.413 17645
1592 1 4 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.897 0.613 17645
1593 1 4 . 1 1 76 76 LEU H H 91 8.280 8.280 8.098 0.182 17645
1594 1 4 . 1 1 77 77 SER N N 92 113.817 113.817 114.523 -0.706 17645
1595 1 4 . 1 1 77 77 SER HA H 92 4.235 4.235 4.013 0.222 17645
1596 1 4 . 1 1 77 77 SER CA C 92 62.200 62.200 62.094 0.106 17645
1597 1 4 . 1 1 77 77 SER CB C 92 63.440 63.440 62.752 0.688 17645
1598 1 4 . 1 1 77 77 SER H H 92 8.219 8.219 7.821 0.398 17645
1599 1 4 . 1 1 78 78 ALA N N 93 124.902 124.902 123.962 0.940 17645
1600 1 4 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.036 0.130 17645
1601 1 4 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.062 0.798 17645
1602 1 4 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.451 0.309 17645
1603 1 4 . 1 1 78 78 ALA H H 93 7.949 7.949 7.533 0.416 17645
1604 1 4 . 1 1 79 79 LEU N N 94 120.602 120.602 116.208 4.394 17645
1605 1 4 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.985 0.082 17645
1606 1 4 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.637 0.833 17645
1607 1 4 . 1 1 79 79 LEU CB C 94 42.610 42.610 40.918 1.692 17645
1608 1 4 . 1 1 79 79 LEU H H 94 8.587 8.587 7.781 0.806 17645
1609 1 4 . 1 1 80 80 GLN N N 95 119.525 119.525 119.646 -0.121 17645
1610 1 4 . 1 1 80 80 GLN HA H 95 4.048 4.048 4.031 0.017 17645
1611 1 4 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.567 0.023 17645
1612 1 4 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.369 0.471 17645
1613 1 4 . 1 1 80 80 GLN H H 95 8.561 8.561 8.497 0.064 17645
1614 1 4 . 1 1 81 81 LYS N N 96 121.075 121.075 120.419 0.656 17645
1615 1 4 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.944 0.193 17645
1616 1 4 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.809 0.241 17645
1617 1 4 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.270 0.670 17645
1618 1 4 . 1 1 81 81 LYS H H 96 8.003 8.003 7.778 0.225 17645
1619 1 4 . 1 1 82 82 LYS N N 97 121.415 121.415 118.909 2.506 17645
1620 1 4 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.947 0.178 17645
1621 1 4 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.682 0.288 17645
1622 1 4 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.383 0.737 17645
1623 1 4 . 1 1 82 82 LYS H H 97 7.903 7.903 7.889 0.014 17645
1624 1 4 . 1 1 83 83 LYS N N 98 121.081 121.081 116.801 4.280 17645
1625 1 4 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.159 -0.177 17645
1626 1 4 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.429 1.581 17645
1627 1 4 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.583 1.537 17645
1628 1 4 . 1 1 83 83 LYS H H 98 8.202 8.202 7.666 0.536 17645
1629 1 4 . 1 1 84 84 GLN N N 99 119.576 119.576 118.833 0.743 17645
1630 1 4 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.080 0.044 17645
1631 1 4 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.722 1.088 17645
1632 1 4 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.359 -0.399 17645
1633 1 4 . 1 1 84 84 GLN H H 99 8.125 8.125 7.947 0.178 17645
1634 1 4 . 1 1 85 85 GLN N N 100 120.009 120.009 117.941 2.068 17645
1635 1 4 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.205 -0.084 17645
1636 1 4 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.129 1.461 17645
1637 1 4 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.766 0.254 17645
1638 1 4 . 1 1 85 85 GLN H H 100 8.341 8.341 8.395 -0.054 17645
1639 1 4 . 1 1 86 86 GLU N N 101 121.718 121.718 119.718 2.000 17645
1640 1 4 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.386 -0.251 17645
1641 1 4 . 1 1 86 86 GLU CA C 101 60.430 60.430 56.501 3.929 17645
1642 1 4 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.740 2.400 17645
1643 1 4 . 1 1 86 86 GLU H H 101 8.275 8.275 7.818 0.457 17645
1644 1 4 . 1 1 87 87 GLU N N 102 121.412 121.412 116.835 4.577 17645
1645 1 4 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.422 -0.306 17645
1646 1 4 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.833 3.127 17645
1647 1 4 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.633 -1.343 17645
1648 1 4 . 1 1 87 87 GLU H H 102 8.330 8.330 7.895 0.435 17645
1649 1 5 . 1 1 2 2 GLY N N 17 110.356 110.356 109.445 0.911 17645
1650 1 5 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.462 0.148 17645
1651 1 5 . 1 1 2 2 GLY H H 17 8.065 8.065 8.500 -0.435 17645
1652 1 5 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.779 -0.386 17645
1653 1 5 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.633 2.037 17645
1654 1 5 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.915 -0.215 17645
1655 1 5 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.037 1.693 17645
1656 1 5 . 1 1 5 5 SER HA H 20 4.192 4.192 4.539 -0.347 17645
1657 1 5 . 1 1 5 5 SER CA C 20 60.960 60.960 57.827 3.133 17645
1658 1 5 . 1 1 5 5 SER CB C 20 64.250 64.250 63.326 0.924 17645
1659 1 5 . 1 1 6 6 LEU N N 21 122.731 122.731 123.063 -0.332 17645
1660 1 5 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.963 0.157 17645
1661 1 5 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.485 -0.765 17645
1662 1 5 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.546 1.424 17645
1663 1 5 . 1 1 6 6 LEU H H 21 8.052 8.052 8.543 -0.491 17645
1664 1 5 . 1 1 7 7 VAL N N 22 119.948 119.948 118.779 1.169 17645
1665 1 5 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.597 0.156 17645
1666 1 5 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.178 -0.828 17645
1667 1 5 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.014 1.586 17645
1668 1 5 . 1 1 7 7 VAL H H 22 7.676 7.676 8.126 -0.450 17645
1669 1 5 . 1 1 8 8 LYS N N 23 122.400 122.400 119.611 2.789 17645
1670 1 5 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.931 0.256 17645
1671 1 5 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.443 -0.613 17645
1672 1 5 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.717 0.843 17645
1673 1 5 . 1 1 8 8 LYS H H 23 7.830 7.830 7.645 0.185 17645
1674 1 5 . 1 1 9 9 VAL N N 24 121.205 121.205 118.610 2.595 17645
1675 1 5 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.687 0.139 17645
1676 1 5 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.809 0.051 17645
1677 1 5 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.494 0.956 17645
1678 1 5 . 1 1 9 9 VAL H H 24 8.194 8.194 7.599 0.595 17645
1679 1 5 . 1 1 10 10 GLY N N 25 107.900 107.900 106.526 1.374 17645
1680 1 5 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.630 0.030 17645
1681 1 5 . 1 1 10 10 GLY H H 25 8.446 8.446 8.277 0.169 17645
1682 1 5 . 1 1 11 11 THR N N 26 116.800 116.800 119.115 -2.315 17645
1683 1 5 . 1 1 11 11 THR HA H 26 4.109 4.109 3.952 0.157 17645
1684 1 5 . 1 1 11 11 THR CA C 26 66.300 66.300 66.141 0.159 17645
1685 1 5 . 1 1 11 11 THR CB C 26 69.690 69.690 68.272 1.419 17645
1686 1 5 . 1 1 11 11 THR H H 26 7.992 7.992 8.475 -0.483 17645
1687 1 5 . 1 1 12 12 LEU N N 27 123.983 123.983 123.186 0.797 17645
1688 1 5 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.151 -0.024 17645
1689 1 5 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.688 0.782 17645
1690 1 5 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.709 1.101 17645
1691 1 5 . 1 1 12 12 LEU H H 27 7.934 7.934 7.987 -0.053 17645
1692 1 5 . 1 1 13 13 LYS N N 28 117.513 117.513 119.381 -1.868 17645
1693 1 5 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.866 0.037 17645
1694 1 5 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.119 0.031 17645
1695 1 5 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.196 0.534 17645
1696 1 5 . 1 1 13 13 LYS H H 28 7.824 7.824 7.825 -0.001 17645
1697 1 5 . 1 1 14 14 LYS N N 29 119.275 119.275 118.649 0.626 17645
1698 1 5 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.998 0.153 17645
1699 1 5 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.394 0.066 17645
1700 1 5 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.154 0.596 17645
1701 1 5 . 1 1 14 14 LYS H H 29 7.685 7.685 7.675 0.010 17645
1702 1 5 . 1 1 15 15 ARG N N 30 119.090 119.090 120.594 -1.504 17645
1703 1 5 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.806 0.254 17645
1704 1 5 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.032 -0.002 17645
1705 1 5 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.964 0.546 17645
1706 1 5 . 1 1 15 15 ARG H H 30 7.709 7.709 7.561 0.148 17645
1707 1 5 . 1 1 16 16 LEU N N 31 118.473 118.473 121.291 -2.818 17645
1708 1 5 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.163 -0.186 17645
1709 1 5 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.516 -0.436 17645
1710 1 5 . 1 1 16 16 LEU CB C 31 41.320 41.320 42.021 -0.701 17645
1711 1 5 . 1 1 16 16 LEU H H 31 7.595 7.595 8.431 -0.836 17645
1712 1 5 . 1 1 17 17 ASP N N 32 120.020 120.020 118.935 1.085 17645
1713 1 5 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.276 0.163 17645
1714 1 5 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.665 0.315 17645
1715 1 5 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.232 0.648 17645
1716 1 5 . 1 1 17 17 ASP H H 32 7.858 7.858 7.877 -0.019 17645
1717 1 5 . 1 1 18 18 LYS N N 33 119.708 119.708 120.595 -0.887 17645
1718 1 5 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.995 0.203 17645
1719 1 5 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.637 -0.167 17645
1720 1 5 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.690 0.500 17645
1721 1 5 . 1 1 18 18 LYS H H 33 7.564 7.564 7.430 0.134 17645
1722 1 5 . 1 1 19 19 PHE N N 34 118.256 118.256 117.842 0.414 17645
1723 1 5 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.189 0.062 17645
1724 1 5 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.615 0.095 17645
1725 1 5 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.896 0.854 17645
1726 1 5 . 1 1 19 19 PHE H H 34 7.884 7.884 7.579 0.305 17645
1727 1 5 . 1 1 20 20 ASN N N 35 117.779 117.779 117.559 0.220 17645
1728 1 5 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.435 0.025 17645
1729 1 5 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.880 0.470 17645
1730 1 5 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.060 0.940 17645
1731 1 5 . 1 1 20 20 ASN H H 35 8.054 8.054 7.969 0.085 17645
1732 1 5 . 1 1 21 21 GLU N N 36 120.312 120.312 120.794 -0.482 17645
1733 1 5 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.085 0.021 17645
1734 1 5 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.524 0.246 17645
1735 1 5 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.556 0.954 17645
1736 1 5 . 1 1 21 21 GLU H H 36 7.983 7.983 7.751 0.232 17645
1737 1 5 . 1 1 22 22 VAL N N 37 119.756 119.756 119.379 0.377 17645
1738 1 5 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.767 0.075 17645
1739 1 5 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.154 -0.045 17645
1740 1 5 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.188 1.492 17645
1741 1 5 . 1 1 22 22 VAL H H 37 7.670 7.670 7.870 -0.200 17645
1742 1 5 . 1 1 23 23 VAL N N 38 118.300 118.300 119.938 -1.638 17645
1743 1 5 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.718 -0.041 17645
1744 1 5 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.667 0.883 17645
1745 1 5 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.692 1.788 17645
1746 1 5 . 1 1 23 23 VAL H H 38 8.159 8.159 8.441 -0.282 17645
1747 1 5 . 1 1 24 24 SER N N 39 113.952 113.952 116.646 -2.694 17645
1748 1 5 . 1 1 24 24 SER HA H 39 4.170 4.170 4.183 -0.013 17645
1749 1 5 . 1 1 24 24 SER CA C 39 61.880 61.880 61.803 0.077 17645
1750 1 5 . 1 1 24 24 SER CB C 39 63.740 63.740 62.966 0.774 17645
1751 1 5 . 1 1 24 24 SER H H 39 7.773 7.773 8.579 -0.806 17645
1752 1 5 . 1 1 25 25 ALA N N 40 122.572 122.572 122.449 0.123 17645
1753 1 5 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.168 0.257 17645
1754 1 5 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.838 -0.958 17645
1755 1 5 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.074 1.376 17645
1756 1 5 . 1 1 25 25 ALA H H 40 7.436 7.436 7.580 -0.144 17645
1757 1 5 . 1 1 26 26 LEU N N 41 120.677 120.677 115.732 4.945 17645
1758 1 5 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.626 -0.245 17645
1759 1 5 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.142 2.718 17645
1760 1 5 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.981 1.209 17645
1761 1 5 . 1 1 26 26 LEU H H 41 7.499 7.499 7.362 0.137 17645
1762 1 5 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.120 0.165 17645
1763 1 5 . 1 1 27 27 LYS CA C 42 58.250 58.250 56.997 1.253 17645
1764 1 5 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.225 2.645 17645
1765 1 5 . 1 1 28 28 ASP N N 43 120.989 120.989 121.949 -0.960 17645
1766 1 5 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.546 0.255 17645
1767 1 5 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.218 0.342 17645
1768 1 5 . 1 1 28 28 ASP CB C 43 43.440 43.440 42.392 1.048 17645
1769 1 5 . 1 1 28 28 ASP H H 43 8.513 8.513 7.747 0.766 17645
1770 1 5 . 1 1 29 29 GLY N N 44 108.379 108.379 111.612 -3.233 17645
1771 1 5 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.942 0.598 17645
1772 1 5 . 1 1 29 29 GLY H H 44 8.425 8.425 8.678 -0.253 17645
1773 1 5 . 1 1 30 30 LYS N N 45 119.932 119.932 119.876 0.056 17645
1774 1 5 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.133 -0.054 17645
1775 1 5 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.036 0.484 17645
1776 1 5 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.225 0.845 17645
1777 1 5 . 1 1 30 30 LYS H H 45 8.269 8.269 8.567 -0.298 17645
1778 1 5 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.361 -0.053 17645
1779 1 5 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.914 1.126 17645
1780 1 5 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.116 0.704 17645
1781 1 5 . 1 1 32 32 GLU N N 47 118.526 118.526 119.074 -0.548 17645
1782 1 5 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.095 0.038 17645
1783 1 5 . 1 1 32 32 GLU CA C 47 60.170 60.170 58.944 1.226 17645
1784 1 5 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.684 1.226 17645
1785 1 5 . 1 1 32 32 GLU H H 47 8.189 8.189 8.602 -0.413 17645
1786 1 5 . 1 1 33 33 VAL N N 48 120.183 120.183 121.247 -1.064 17645
1787 1 5 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645
1788 1 5 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.995 0.305 17645
1789 1 5 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.843 0.517 17645
1790 1 5 . 1 1 33 33 VAL H H 48 7.744 7.744 8.332 -0.588 17645
1791 1 5 . 1 1 34 34 ASN N N 49 119.700 119.700 117.608 2.092 17645
1792 1 5 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.415 0.035 17645
1793 1 5 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.461 0.589 17645
1794 1 5 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.834 0.816 17645
1795 1 5 . 1 1 34 34 ASN H H 49 8.582 8.582 8.461 0.120 17645
1796 1 5 . 1 1 35 35 ARG N N 50 121.009 121.009 120.336 0.673 17645
1797 1 5 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.035 0.102 17645
1798 1 5 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.217 0.553 17645
1799 1 5 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.929 0.841 17645
1800 1 5 . 1 1 35 35 ARG H H 50 7.848 7.848 7.858 -0.010 17645
1801 1 5 . 1 1 36 36 GLN N N 51 119.394 119.394 118.605 0.789 17645
1802 1 5 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.049 0.014 17645
1803 1 5 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.419 0.591 17645
1804 1 5 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.842 0.928 17645
1805 1 5 . 1 1 36 36 GLN H H 51 7.685 7.685 7.652 0.033 17645
1806 1 5 . 1 1 37 37 ILE N N 52 122.006 122.006 119.033 2.973 17645
1807 1 5 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.628 -0.174 17645
1808 1 5 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.171 1.129 17645
1809 1 5 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.105 1.795 17645
1810 1 5 . 1 1 37 37 ILE H H 52 8.293 8.293 8.742 -0.449 17645
1811 1 5 . 1 1 38 38 LYS N N 53 121.163 121.163 120.755 0.408 17645
1812 1 5 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.902 0.269 17645
1813 1 5 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.994 -0.944 17645
1814 1 5 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.142 -0.212 17645
1815 1 5 . 1 1 38 38 LYS H H 53 8.169 8.169 8.367 -0.198 17645
1816 1 5 . 1 1 39 39 ASN N N 54 117.219 117.219 118.090 -0.871 17645
1817 1 5 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.422 0.061 17645
1818 1 5 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.065 0.545 17645
1819 1 5 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.962 0.478 17645
1820 1 5 . 1 1 39 39 ASN H H 54 8.171 8.171 7.894 0.277 17645
1821 1 5 . 1 1 40 40 LEU N N 55 123.907 123.907 121.377 2.530 17645
1822 1 5 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.949 0.256 17645
1823 1 5 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.754 0.086 17645
1824 1 5 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.455 0.615 17645
1825 1 5 . 1 1 40 40 LEU H H 55 7.702 7.702 7.898 -0.196 17645
1826 1 5 . 1 1 41 41 GLU N N 56 121.779 121.779 120.084 1.695 17645
1827 1 5 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.034 -0.332 17645
1828 1 5 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.762 1.688 17645
1829 1 5 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.476 0.854 17645
1830 1 5 . 1 1 41 41 GLU H H 56 8.442 8.442 8.205 0.237 17645
1831 1 5 . 1 1 42 42 ILE N N 57 119.133 119.133 119.996 -0.863 17645
1832 1 5 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.745 0.138 17645
1833 1 5 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.365 0.185 17645
1834 1 5 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.848 1.102 17645
1835 1 5 . 1 1 42 42 ILE H H 57 8.531 8.531 8.398 0.133 17645
1836 1 5 . 1 1 43 43 SER N N 58 118.622 118.622 116.436 2.186 17645
1837 1 5 . 1 1 43 43 SER HA H 58 4.322 4.322 4.145 0.177 17645
1838 1 5 . 1 1 43 43 SER CA C 58 62.940 62.940 62.939 0.001 17645
1839 1 5 . 1 1 43 43 SER CB C 58 63.500 63.500 62.941 0.560 17645
1840 1 5 . 1 1 43 43 SER H H 58 8.027 8.027 7.978 0.049 17645
1841 1 5 . 1 1 44 44 ILE N N 59 126.416 126.416 122.112 4.304 17645
1842 1 5 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.623 0.005 17645
1843 1 5 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.948 0.963 17645
1844 1 5 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.710 1.450 17645
1845 1 5 . 1 1 44 44 ILE H H 59 8.543 8.543 8.683 -0.140 17645
1846 1 5 . 1 1 45 45 ASP N N 60 121.563 121.563 119.646 1.917 17645
1847 1 5 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.320 0.087 17645
1848 1 5 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.509 0.771 17645
1849 1 5 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.271 0.489 17645
1850 1 5 . 1 1 45 45 ASP H H 60 8.406 8.406 7.979 0.427 17645
1851 1 5 . 1 1 46 46 ALA N N 61 123.500 123.500 122.664 0.836 17645
1852 1 5 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.053 0.149 17645
1853 1 5 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.063 0.647 17645
1854 1 5 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.483 0.177 17645
1855 1 5 . 1 1 46 46 ALA H H 61 8.538 8.538 7.971 0.567 17645
1856 1 5 . 1 1 47 47 LEU N N 62 121.942 121.942 120.058 1.884 17645
1857 1 5 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.913 0.381 17645
1858 1 5 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.602 0.058 17645
1859 1 5 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.871 -0.731 17645
1860 1 5 . 1 1 47 47 LEU H H 62 7.801 7.801 7.790 0.011 17645
1861 1 5 . 1 1 48 48 MET N N 63 118.068 118.068 118.560 -0.492 17645
1862 1 5 . 1 1 48 48 MET HA H 63 3.945 3.945 3.867 0.078 17645
1863 1 5 . 1 1 48 48 MET CA C 63 60.330 60.330 59.278 1.052 17645
1864 1 5 . 1 1 48 48 MET CB C 63 33.110 33.110 32.456 0.654 17645
1865 1 5 . 1 1 48 48 MET H H 63 8.261 8.261 7.810 0.451 17645
1866 1 5 . 1 1 49 49 ALA N N 64 120.428 120.428 118.217 2.211 17645
1867 1 5 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.083 0.018 17645
1868 1 5 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.588 1.182 17645
1869 1 5 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.337 0.433 17645
1870 1 5 . 1 1 49 49 ALA H H 64 8.045 8.045 7.789 0.256 17645
1871 1 5 . 1 1 50 50 LYS N N 65 121.947 121.947 116.532 5.415 17645
1872 1 5 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.257 -0.218 17645
1873 1 5 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.398 2.122 17645
1874 1 5 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.914 0.766 17645
1875 1 5 . 1 1 50 50 LYS H H 65 8.063 8.063 7.676 0.387 17645
1876 1 5 . 1 1 51 51 ILE N N 66 121.189 121.189 117.990 3.199 17645
1877 1 5 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.953 -0.203 17645
1878 1 5 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.664 3.076 17645
1879 1 5 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.448 1.672 17645
1880 1 5 . 1 1 51 51 ILE H H 66 8.437 8.437 8.244 0.193 17645
1881 1 5 . 1 1 52 52 LYS N N 67 117.119 117.119 117.982 -0.863 17645
1882 1 5 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.341 -0.205 17645
1883 1 5 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.594 2.615 17645
1884 1 5 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.833 0.847 17645
1885 1 5 . 1 1 52 52 LYS H H 67 7.622 7.622 7.854 -0.232 17645
1886 1 5 . 1 1 53 53 SER N N 68 111.824 111.824 113.255 -1.431 17645
1887 1 5 . 1 1 53 53 SER HA H 68 4.602 4.602 4.646 -0.044 17645
1888 1 5 . 1 1 53 53 SER CA C 68 59.960 59.960 58.708 1.252 17645
1889 1 5 . 1 1 53 53 SER CB C 68 65.750 65.750 64.439 1.311 17645
1890 1 5 . 1 1 53 53 SER H H 68 7.750 7.750 7.503 0.247 17645
1891 1 5 . 1 1 54 54 THR N N 69 115.916 115.916 113.555 2.361 17645
1892 1 5 . 1 1 54 54 THR HA H 69 4.596 4.596 4.528 0.068 17645
1893 1 5 . 1 1 54 54 THR CA C 69 62.460 62.460 61.903 0.557 17645
1894 1 5 . 1 1 54 54 THR CB C 69 71.650 71.650 70.134 1.516 17645
1895 1 5 . 1 1 54 54 THR H H 69 7.972 7.972 7.559 0.413 17645
1896 1 5 . 1 1 55 55 MET N N 70 121.343 121.343 121.919 -0.576 17645
1897 1 5 . 1 1 55 55 MET HA H 70 4.551 4.551 4.598 -0.047 17645
1898 1 5 . 1 1 55 55 MET CA C 70 56.050 56.050 54.728 1.322 17645
1899 1 5 . 1 1 55 55 MET CB C 70 32.500 32.500 32.189 0.311 17645
1900 1 5 . 1 1 55 55 MET H H 70 8.306 8.306 8.705 -0.399 17645
1901 1 5 . 1 1 56 56 MET N N 71 123.196 123.196 120.445 2.751 17645
1902 1 5 . 1 1 56 56 MET HA H 71 4.706 4.706 4.294 0.412 17645
1903 1 5 . 1 1 56 56 MET CA C 71 55.860 55.860 56.373 -0.513 17645
1904 1 5 . 1 1 56 56 MET CB C 71 37.620 37.620 33.248 4.372 17645
1905 1 5 . 1 1 56 56 MET H H 71 8.114 8.114 7.378 0.736 17645
1906 1 5 . 1 1 57 57 THR N N 72 113.158 113.158 119.549 -6.391 17645
1907 1 5 . 1 1 57 57 THR HA H 72 4.483 4.483 4.364 0.119 17645
1908 1 5 . 1 1 57 57 THR CA C 72 61.080 61.080 62.291 -1.212 17645
1909 1 5 . 1 1 57 57 THR CB C 72 71.670 71.670 69.724 1.946 17645
1910 1 5 . 1 1 57 57 THR H H 72 8.486 8.486 8.291 0.195 17645
1911 1 5 . 1 1 58 58 ARG N N 73 121.911 121.911 126.035 -4.124 17645
1912 1 5 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.893 0.016 17645
1913 1 5 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.085 0.435 17645
1914 1 5 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.149 0.181 17645
1915 1 5 . 1 1 58 58 ARG H H 73 8.961 8.961 8.898 0.063 17645
1916 1 5 . 1 1 59 59 GLU N N 74 118.955 118.955 118.592 0.363 17645
1917 1 5 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.052 -0.020 17645
1918 1 5 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.109 0.780 17645
1919 1 5 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.117 0.843 17645
1920 1 5 . 1 1 59 59 GLU H H 74 8.833 8.833 8.683 0.150 17645
1921 1 5 . 1 1 60 60 GLN N N 75 121.077 121.077 118.890 2.187 17645
1922 1 5 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.149 -0.159 17645
1923 1 5 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.529 0.871 17645
1924 1 5 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.239 1.151 17645
1925 1 5 . 1 1 60 60 GLN H H 75 7.801 7.801 7.755 0.046 17645
1926 1 5 . 1 1 61 61 ILE N N 76 120.016 120.016 120.469 -0.453 17645
1927 1 5 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.839 -0.410 17645
1928 1 5 . 1 1 61 61 ILE CA C 76 66.860 66.860 64.100 2.760 17645
1929 1 5 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.720 1.990 17645
1930 1 5 . 1 1 61 61 ILE H H 76 8.250 8.250 7.711 0.539 17645
1931 1 5 . 1 1 62 62 GLN N N 77 119.153 119.153 119.667 -0.514 17645
1932 1 5 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.046 -0.279 17645
1933 1 5 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.163 0.607 17645
1934 1 5 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.412 0.668 17645
1935 1 5 . 1 1 62 62 GLN H H 77 8.295 8.295 8.684 -0.389 17645
1936 1 5 . 1 1 63 63 LYS N N 78 118.200 118.200 120.502 -2.302 17645
1937 1 5 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.058 0.096 17645
1938 1 5 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.821 0.330 17645
1939 1 5 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.371 0.939 17645
1940 1 5 . 1 1 63 63 LYS H H 78 7.839 7.839 7.879 -0.040 17645
1941 1 5 . 1 1 64 64 GLU N N 79 120.133 120.133 119.233 0.900 17645
1942 1 5 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.009 0.133 17645
1943 1 5 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.708 0.623 17645
1944 1 5 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.576 1.034 17645
1945 1 5 . 1 1 64 64 GLU H H 79 7.899 7.899 8.110 -0.211 17645
1946 1 5 . 1 1 65 65 TYR N N 80 122.505 122.505 120.257 2.248 17645
1947 1 5 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.228 -0.286 17645
1948 1 5 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.545 1.215 17645
1949 1 5 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.302 1.168 17645
1950 1 5 . 1 1 65 65 TYR H H 80 9.023 9.023 8.041 0.982 17645
1951 1 5 . 1 1 66 66 ASP N N 81 120.497 120.497 119.237 1.260 17645
1952 1 5 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.220 -0.003 17645
1953 1 5 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.119 0.981 17645
1954 1 5 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.185 0.455 17645
1955 1 5 . 1 1 66 66 ASP H H 81 9.089 9.089 7.570 1.519 17645
1956 1 5 . 1 1 67 67 ALA N N 82 122.397 122.397 122.428 -0.031 17645
1957 1 5 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.096 0.091 17645
1958 1 5 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.050 0.780 17645
1959 1 5 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.431 0.489 17645
1960 1 5 . 1 1 67 67 ALA H H 82 7.636 7.636 8.342 -0.706 17645
1961 1 5 . 1 1 68 68 LEU N N 83 121.806 121.806 118.408 3.398 17645
1962 1 5 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.030 0.115 17645
1963 1 5 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.749 0.530 17645
1964 1 5 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.994 0.866 17645
1965 1 5 . 1 1 68 68 LEU H H 83 7.727 7.727 7.621 0.106 17645
1966 1 5 . 1 1 69 69 VAL N N 84 123.560 123.560 120.271 3.289 17645
1967 1 5 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.547 -0.242 17645
1968 1 5 . 1 1 69 69 VAL CA C 84 68.040 68.040 65.979 2.061 17645
1969 1 5 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.379 1.811 17645
1970 1 5 . 1 1 69 69 VAL H H 84 8.560 8.560 7.656 0.904 17645
1971 1 5 . 1 1 70 70 LYS N N 85 121.398 121.398 120.181 1.217 17645
1972 1 5 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.038 0.054 17645
1973 1 5 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.751 0.499 17645
1974 1 5 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.025 0.735 17645
1975 1 5 . 1 1 70 70 LYS H H 85 7.956 7.956 8.475 -0.519 17645
1976 1 5 . 1 1 71 71 SER N N 86 114.825 114.825 115.007 -0.182 17645
1977 1 5 . 1 1 71 71 SER HA H 86 4.298 4.298 4.234 0.064 17645
1978 1 5 . 1 1 71 71 SER CA C 86 62.810 62.810 61.581 1.230 17645
1979 1 5 . 1 1 71 71 SER CB C 86 63.640 63.640 63.026 0.614 17645
1980 1 5 . 1 1 71 71 SER H H 86 8.284 8.284 7.884 0.400 17645
1981 1 5 . 1 1 72 72 SER N N 87 118.845 118.845 118.076 0.769 17645
1982 1 5 . 1 1 72 72 SER HA H 87 4.269 4.269 3.931 0.338 17645
1983 1 5 . 1 1 72 72 SER CA C 87 62.940 62.940 61.883 1.057 17645
1984 1 5 . 1 1 72 72 SER CB C 87 63.870 63.870 63.144 0.726 17645
1985 1 5 . 1 1 72 72 SER H H 87 8.421 8.421 8.332 0.089 17645
1986 1 5 . 1 1 73 73 GLU N N 88 124.809 124.809 120.060 4.749 17645
1987 1 5 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.878 0.174 17645
1988 1 5 . 1 1 73 73 GLU CA C 88 60.230 60.230 58.989 1.241 17645
1989 1 5 . 1 1 73 73 GLU CB C 88 30.230 30.230 28.947 1.283 17645
1990 1 5 . 1 1 73 73 GLU H H 88 8.376 8.376 7.981 0.395 17645
1991 1 5 . 1 1 74 74 ASP N N 89 122.193 122.193 120.339 1.854 17645
1992 1 5 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.390 0.021 17645
1993 1 5 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.599 1.311 17645
1994 1 5 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.856 -0.276 17645
1995 1 5 . 1 1 74 74 ASP H H 89 8.734 8.734 7.691 1.043 17645
1996 1 5 . 1 1 75 75 LEU N N 90 123.280 123.280 121.283 1.997 17645
1997 1 5 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.998 0.292 17645
1998 1 5 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.618 0.942 17645
1999 1 5 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.865 0.165 17645
2000 1 5 . 1 1 75 75 LEU H H 90 7.986 7.986 7.404 0.582 17645
2001 1 5 . 1 1 76 76 LEU N N 91 120.488 120.488 118.603 1.885 17645
2002 1 5 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.751 0.087 17645
2003 1 5 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.125 1.075 17645
2004 1 5 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.986 0.524 17645
2005 1 5 . 1 1 76 76 LEU H H 91 8.280 8.280 7.678 0.602 17645
2006 1 5 . 1 1 77 77 SER N N 92 113.817 113.817 115.618 -1.801 17645
2007 1 5 . 1 1 77 77 SER HA H 92 4.235 4.235 4.258 -0.023 17645
2008 1 5 . 1 1 77 77 SER CA C 92 62.200 62.200 62.015 0.185 17645
2009 1 5 . 1 1 77 77 SER CB C 92 63.440 63.440 62.672 0.768 17645
2010 1 5 . 1 1 77 77 SER H H 92 8.219 8.219 7.915 0.304 17645
2011 1 5 . 1 1 78 78 ALA N N 93 124.902 124.902 124.030 0.872 17645
2012 1 5 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.074 0.092 17645
2013 1 5 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.831 1.030 17645
2014 1 5 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.314 0.446 17645
2015 1 5 . 1 1 78 78 ALA H H 93 7.949 7.949 7.654 0.295 17645
2016 1 5 . 1 1 79 79 LEU N N 94 120.602 120.602 120.089 0.513 17645
2017 1 5 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.868 0.199 17645
2018 1 5 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.764 -0.294 17645
2019 1 5 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.778 0.832 17645
2020 1 5 . 1 1 79 79 LEU H H 94 8.587 8.587 7.947 0.640 17645
2021 1 5 . 1 1 80 80 GLN N N 95 119.525 119.525 118.014 1.511 17645
2022 1 5 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.898 0.150 17645
2023 1 5 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.599 -0.009 17645
2024 1 5 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.373 0.467 17645
2025 1 5 . 1 1 80 80 GLN H H 95 8.561 8.561 8.345 0.216 17645
2026 1 5 . 1 1 81 81 LYS N N 96 121.075 121.075 119.270 1.805 17645
2027 1 5 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.943 0.194 17645
2028 1 5 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.529 0.521 17645
2029 1 5 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.153 0.787 17645
2030 1 5 . 1 1 81 81 LYS H H 96 8.003 8.003 7.752 0.251 17645
2031 1 5 . 1 1 82 82 LYS N N 97 121.415 121.415 119.604 1.811 17645
2032 1 5 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.987 0.138 17645
2033 1 5 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.915 0.055 17645
2034 1 5 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.266 0.854 17645
2035 1 5 . 1 1 82 82 LYS H H 97 7.903 7.903 7.792 0.111 17645
2036 1 5 . 1 1 83 83 LYS N N 98 121.081 121.081 119.712 1.369 17645
2037 1 5 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.972 0.010 17645
2038 1 5 . 1 1 83 83 LYS CA C 98 60.010 60.010 60.225 -0.215 17645
2039 1 5 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.282 0.838 17645
2040 1 5 . 1 1 83 83 LYS H H 98 8.202 8.202 7.921 0.281 17645
2041 1 5 . 1 1 84 84 GLN N N 99 119.576 119.576 118.708 0.868 17645
2042 1 5 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.060 0.064 17645
2043 1 5 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.586 1.224 17645
2044 1 5 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.281 0.679 17645
2045 1 5 . 1 1 84 84 GLN H H 99 8.125 8.125 8.256 -0.131 17645
2046 1 5 . 1 1 85 85 GLN N N 100 120.009 120.009 118.383 1.626 17645
2047 1 5 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.197 -0.076 17645
2048 1 5 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.292 2.298 17645
2049 1 5 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.071 -0.051 17645
2050 1 5 . 1 1 85 85 GLN H H 100 8.341 8.341 8.002 0.339 17645
2051 1 5 . 1 1 86 86 GLU N N 101 121.718 121.718 119.451 2.267 17645
2052 1 5 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.206 -0.071 17645
2053 1 5 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.486 2.944 17645
2054 1 5 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.523 -0.383 17645
2055 1 5 . 1 1 86 86 GLU H H 101 8.275 8.275 8.102 0.173 17645
2056 1 5 . 1 1 87 87 GLU N N 102 121.412 121.412 117.585 3.827 17645
2057 1 5 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.057 0.059 17645
2058 1 5 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.926 2.034 17645
2059 1 5 . 1 1 87 87 GLU CB C 102 30.290 30.290 28.907 1.383 17645
2060 1 5 . 1 1 87 87 GLU H H 102 8.330 8.330 8.340 -0.010 17645
2061 1 6 . 1 1 2 2 GLY N N 17 110.356 110.356 111.763 -1.407 17645
2062 1 6 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.300 1.310 17645
2063 1 6 . 1 1 2 2 GLY H H 17 8.065 8.065 8.395 -0.330 17645
2064 1 6 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.507 -0.114 17645
2065 1 6 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.781 1.889 17645
2066 1 6 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.223 0.477 17645
2067 1 6 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.574 1.156 17645
2068 1 6 . 1 1 5 5 SER HA H 20 4.192 4.192 4.310 -0.118 17645
2069 1 6 . 1 1 5 5 SER CA C 20 60.960 60.960 58.114 2.846 17645
2070 1 6 . 1 1 5 5 SER CB C 20 64.250 64.250 63.135 1.115 17645
2071 1 6 . 1 1 6 6 LEU N N 21 122.731 122.731 123.669 -0.938 17645
2072 1 6 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.034 0.086 17645
2073 1 6 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.011 -0.291 17645
2074 1 6 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.426 1.544 17645
2075 1 6 . 1 1 6 6 LEU H H 21 8.052 8.052 8.224 -0.172 17645
2076 1 6 . 1 1 7 7 VAL N N 22 119.948 119.948 118.565 1.383 17645
2077 1 6 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.511 0.242 17645
2078 1 6 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.188 -0.838 17645
2079 1 6 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.703 0.896 17645
2080 1 6 . 1 1 7 7 VAL H H 22 7.676 7.676 8.265 -0.589 17645
2081 1 6 . 1 1 8 8 LYS N N 23 122.400 122.400 119.386 3.014 17645
2082 1 6 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.988 0.199 17645
2083 1 6 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.281 -0.451 17645
2084 1 6 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.113 0.447 17645
2085 1 6 . 1 1 8 8 LYS H H 23 7.830 7.830 7.594 0.236 17645
2086 1 6 . 1 1 9 9 VAL N N 24 121.205 121.205 118.926 2.279 17645
2087 1 6 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645
2088 1 6 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.705 0.155 17645
2089 1 6 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.047 1.403 17645
2090 1 6 . 1 1 9 9 VAL H H 24 8.194 8.194 7.611 0.583 17645
2091 1 6 . 1 1 10 10 GLY N N 25 107.900 107.900 106.750 1.150 17645
2092 1 6 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.544 0.116 17645
2093 1 6 . 1 1 10 10 GLY H H 25 8.446 8.446 8.379 0.067 17645
2094 1 6 . 1 1 11 11 THR N N 26 116.800 116.800 119.522 -2.722 17645
2095 1 6 . 1 1 11 11 THR HA H 26 4.109 4.109 3.879 0.230 17645
2096 1 6 . 1 1 11 11 THR CA C 26 66.300 66.300 66.630 -0.330 17645
2097 1 6 . 1 1 11 11 THR CB C 26 69.690 69.690 68.682 1.008 17645
2098 1 6 . 1 1 11 11 THR H H 26 7.992 7.992 7.634 0.358 17645
2099 1 6 . 1 1 12 12 LEU N N 27 123.983 123.983 122.824 1.159 17645
2100 1 6 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.102 0.025 17645
2101 1 6 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.782 0.688 17645
2102 1 6 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.704 1.106 17645
2103 1 6 . 1 1 12 12 LEU H H 27 7.934 7.934 7.967 -0.033 17645
2104 1 6 . 1 1 13 13 LYS N N 28 117.513 117.513 119.169 -1.656 17645
2105 1 6 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.837 0.066 17645
2106 1 6 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.736 0.414 17645
2107 1 6 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.997 0.733 17645
2108 1 6 . 1 1 13 13 LYS H H 28 7.824 7.824 7.915 -0.091 17645
2109 1 6 . 1 1 14 14 LYS N N 29 119.275 119.275 118.883 0.392 17645
2110 1 6 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.035 0.116 17645
2111 1 6 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.219 0.241 17645
2112 1 6 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.070 0.680 17645
2113 1 6 . 1 1 14 14 LYS H H 29 7.685 7.685 7.654 0.031 17645
2114 1 6 . 1 1 15 15 ARG N N 30 119.090 119.090 119.897 -0.807 17645
2115 1 6 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.701 0.359 17645
2116 1 6 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.781 0.249 17645
2117 1 6 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.879 0.631 17645
2118 1 6 . 1 1 15 15 ARG H H 30 7.709 7.709 7.562 0.147 17645
2119 1 6 . 1 1 16 16 LEU N N 31 118.473 118.473 121.459 -2.986 17645
2120 1 6 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.863 0.114 17645
2121 1 6 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.990 -0.910 17645
2122 1 6 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.876 -0.556 17645
2123 1 6 . 1 1 16 16 LEU H H 31 7.595 7.595 8.185 -0.590 17645
2124 1 6 . 1 1 17 17 ASP N N 32 120.020 120.020 118.866 1.154 17645
2125 1 6 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.406 0.033 17645
2126 1 6 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.324 0.656 17645
2127 1 6 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.395 0.485 17645
2128 1 6 . 1 1 17 17 ASP H H 32 7.858 7.858 7.742 0.116 17645
2129 1 6 . 1 1 18 18 LYS N N 33 119.708 119.708 120.793 -1.085 17645
2130 1 6 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.956 0.242 17645
2131 1 6 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.717 -0.247 17645
2132 1 6 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.637 0.553 17645
2133 1 6 . 1 1 18 18 LYS H H 33 7.564 7.564 7.381 0.183 17645
2134 1 6 . 1 1 19 19 PHE N N 34 118.256 118.256 117.177 1.079 17645
2135 1 6 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.156 0.095 17645
2136 1 6 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.945 0.765 17645
2137 1 6 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.486 1.264 17645
2138 1 6 . 1 1 19 19 PHE H H 34 7.884 7.884 7.212 0.672 17645
2139 1 6 . 1 1 20 20 ASN N N 35 117.779 117.779 118.685 -0.906 17645
2140 1 6 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.342 0.118 17645
2141 1 6 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.319 0.031 17645
2142 1 6 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.368 0.632 17645
2143 1 6 . 1 1 20 20 ASN H H 35 8.054 8.054 8.153 -0.099 17645
2144 1 6 . 1 1 21 21 GLU N N 36 120.312 120.312 120.205 0.107 17645
2145 1 6 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.998 0.108 17645
2146 1 6 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.727 0.043 17645
2147 1 6 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.706 0.804 17645
2148 1 6 . 1 1 21 21 GLU H H 36 7.983 7.983 7.867 0.116 17645
2149 1 6 . 1 1 22 22 VAL N N 37 119.756 119.756 119.886 -0.130 17645
2150 1 6 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.696 0.146 17645
2151 1 6 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.223 -0.113 17645
2152 1 6 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.653 1.027 17645
2153 1 6 . 1 1 22 22 VAL H H 37 7.670 7.670 7.765 -0.095 17645
2154 1 6 . 1 1 23 23 VAL N N 38 118.300 118.300 119.430 -1.130 17645
2155 1 6 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.679 -0.002 17645
2156 1 6 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.073 1.477 17645
2157 1 6 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.451 2.029 17645
2158 1 6 . 1 1 23 23 VAL H H 38 8.159 8.159 8.406 -0.247 17645
2159 1 6 . 1 1 24 24 SER N N 39 113.952 113.952 116.284 -2.332 17645
2160 1 6 . 1 1 24 24 SER HA H 39 4.170 4.170 4.098 0.072 17645
2161 1 6 . 1 1 24 24 SER CA C 39 61.880 61.880 61.552 0.328 17645
2162 1 6 . 1 1 24 24 SER CB C 39 63.740 63.740 63.211 0.529 17645
2163 1 6 . 1 1 24 24 SER H H 39 7.773 7.773 8.459 -0.686 17645
2164 1 6 . 1 1 25 25 ALA N N 40 122.572 122.572 121.434 1.138 17645
2165 1 6 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.212 0.213 17645
2166 1 6 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.845 -0.965 17645
2167 1 6 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.923 1.527 17645
2168 1 6 . 1 1 25 25 ALA H H 40 7.436 7.436 7.622 -0.186 17645
2169 1 6 . 1 1 26 26 LEU N N 41 120.677 120.677 118.210 2.467 17645
2170 1 6 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.122 0.259 17645
2171 1 6 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.186 -0.326 17645
2172 1 6 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.399 0.791 17645
2173 1 6 . 1 1 26 26 LEU H H 41 7.499 7.499 7.518 -0.019 17645
2174 1 6 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.923 0.362 17645
2175 1 6 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.965 0.285 17645
2176 1 6 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.042 2.828 17645
2177 1 6 . 1 1 28 28 ASP N N 43 120.989 120.989 118.294 2.695 17645
2178 1 6 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.741 0.060 17645
2179 1 6 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.193 1.367 17645
2180 1 6 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.100 0.340 17645
2181 1 6 . 1 1 28 28 ASP H H 43 8.513 8.513 7.762 0.751 17645
2182 1 6 . 1 1 29 29 GLY N N 44 108.379 108.379 110.028 -1.649 17645
2183 1 6 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.111 0.429 17645
2184 1 6 . 1 1 29 29 GLY H H 44 8.425 8.425 8.546 -0.121 17645
2185 1 6 . 1 1 30 30 LYS N N 45 119.932 119.932 120.049 -0.117 17645
2186 1 6 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.095 -0.016 17645
2187 1 6 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.982 0.538 17645
2188 1 6 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.666 0.404 17645
2189 1 6 . 1 1 30 30 LYS H H 45 8.269 8.269 8.529 -0.260 17645
2190 1 6 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.268 0.040 17645
2191 1 6 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.000 1.040 17645
2192 1 6 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.015 0.805 17645
2193 1 6 . 1 1 32 32 GLU N N 47 118.526 118.526 118.404 0.122 17645
2194 1 6 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.097 0.036 17645
2195 1 6 . 1 1 32 32 GLU CA C 47 60.170 60.170 58.911 1.259 17645
2196 1 6 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.743 1.167 17645
2197 1 6 . 1 1 32 32 GLU H H 47 8.189 8.189 8.521 -0.332 17645
2198 1 6 . 1 1 33 33 VAL N N 48 120.183 120.183 121.534 -1.351 17645
2199 1 6 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645
2200 1 6 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.379 -0.079 17645
2201 1 6 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.991 0.369 17645
2202 1 6 . 1 1 33 33 VAL H H 48 7.744 7.744 8.150 -0.406 17645
2203 1 6 . 1 1 34 34 ASN N N 49 119.700 119.700 118.005 1.695 17645
2204 1 6 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.368 0.082 17645
2205 1 6 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.434 0.615 17645
2206 1 6 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.844 0.805 17645
2207 1 6 . 1 1 34 34 ASN H H 49 8.582 8.582 8.638 -0.056 17645
2208 1 6 . 1 1 35 35 ARG N N 50 121.009 121.009 119.412 1.597 17645
2209 1 6 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.017 0.120 17645
2210 1 6 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.423 0.347 17645
2211 1 6 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.248 1.522 17645
2212 1 6 . 1 1 35 35 ARG H H 50 7.848 7.848 7.947 -0.099 17645
2213 1 6 . 1 1 36 36 GLN N N 51 119.394 119.394 119.180 0.214 17645
2214 1 6 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.120 -0.057 17645
2215 1 6 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.660 1.351 17645
2216 1 6 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.935 0.835 17645
2217 1 6 . 1 1 36 36 GLN H H 51 7.685 7.685 7.642 0.043 17645
2218 1 6 . 1 1 37 37 ILE N N 52 122.006 122.006 120.097 1.909 17645
2219 1 6 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.639 -0.185 17645
2220 1 6 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.115 1.185 17645
2221 1 6 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.166 1.734 17645
2222 1 6 . 1 1 37 37 ILE H H 52 8.293 8.293 8.703 -0.410 17645
2223 1 6 . 1 1 38 38 LYS N N 53 121.163 121.163 120.615 0.548 17645
2224 1 6 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.913 0.258 17645
2225 1 6 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.158 -1.108 17645
2226 1 6 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.243 -0.313 17645
2227 1 6 . 1 1 38 38 LYS H H 53 8.169 8.169 8.582 -0.413 17645
2228 1 6 . 1 1 39 39 ASN N N 54 117.219 117.219 117.584 -0.365 17645
2229 1 6 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.479 0.004 17645
2230 1 6 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.935 0.675 17645
2231 1 6 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.066 0.374 17645
2232 1 6 . 1 1 39 39 ASN H H 54 8.171 8.171 7.889 0.282 17645
2233 1 6 . 1 1 40 40 LEU N N 55 123.907 123.907 119.986 3.921 17645
2234 1 6 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.145 0.060 17645
2235 1 6 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.092 0.748 17645
2236 1 6 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.791 0.279 17645
2237 1 6 . 1 1 40 40 LEU H H 55 7.702 7.702 7.821 -0.119 17645
2238 1 6 . 1 1 41 41 GLU N N 56 121.779 121.779 120.274 1.505 17645
2239 1 6 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.036 -0.334 17645
2240 1 6 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.336 2.114 17645
2241 1 6 . 1 1 41 41 GLU CB C 56 30.330 30.330 28.860 1.470 17645
2242 1 6 . 1 1 41 41 GLU H H 56 8.442 8.442 8.329 0.113 17645
2243 1 6 . 1 1 42 42 ILE N N 57 119.133 119.133 120.410 -1.277 17645
2244 1 6 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.705 0.178 17645
2245 1 6 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.088 0.462 17645
2246 1 6 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.716 1.234 17645
2247 1 6 . 1 1 42 42 ILE H H 57 8.531 8.531 8.238 0.293 17645
2248 1 6 . 1 1 43 43 SER N N 58 118.622 118.622 117.091 1.531 17645
2249 1 6 . 1 1 43 43 SER HA H 58 4.322 4.322 4.079 0.243 17645
2250 1 6 . 1 1 43 43 SER CA C 58 62.940 62.940 62.068 0.872 17645
2251 1 6 . 1 1 43 43 SER CB C 58 63.500 63.500 62.999 0.501 17645
2252 1 6 . 1 1 43 43 SER H H 58 8.027 8.027 7.810 0.217 17645
2253 1 6 . 1 1 44 44 ILE N N 59 126.416 126.416 122.669 3.747 17645
2254 1 6 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.629 -0.001 17645
2255 1 6 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.724 1.187 17645
2256 1 6 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.810 1.350 17645
2257 1 6 . 1 1 44 44 ILE H H 59 8.543 8.543 8.493 0.050 17645
2258 1 6 . 1 1 45 45 ASP N N 60 121.563 121.563 119.679 1.884 17645
2259 1 6 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.328 0.079 17645
2260 1 6 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.477 0.803 17645
2261 1 6 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.148 0.612 17645
2262 1 6 . 1 1 45 45 ASP H H 60 8.406 8.406 7.914 0.492 17645
2263 1 6 . 1 1 46 46 ALA N N 61 123.500 123.500 122.558 0.942 17645
2264 1 6 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.058 0.144 17645
2265 1 6 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.092 0.618 17645
2266 1 6 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.480 0.180 17645
2267 1 6 . 1 1 46 46 ALA H H 61 8.538 8.538 8.015 0.523 17645
2268 1 6 . 1 1 47 47 LEU N N 62 121.942 121.942 119.550 2.392 17645
2269 1 6 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.869 0.425 17645
2270 1 6 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.711 -0.051 17645
2271 1 6 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.886 -0.747 17645
2272 1 6 . 1 1 47 47 LEU H H 62 7.801 7.801 7.748 0.053 17645
2273 1 6 . 1 1 48 48 MET N N 63 118.068 118.068 118.667 -0.599 17645
2274 1 6 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645
2275 1 6 . 1 1 48 48 MET CA C 63 60.330 60.330 59.243 1.087 17645
2276 1 6 . 1 1 48 48 MET CB C 63 33.110 33.110 32.460 0.650 17645
2277 1 6 . 1 1 48 48 MET H H 63 8.261 8.261 7.795 0.466 17645
2278 1 6 . 1 1 49 49 ALA N N 64 120.428 120.428 118.177 2.251 17645
2279 1 6 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.085 0.016 17645
2280 1 6 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.529 1.241 17645
2281 1 6 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.353 0.417 17645
2282 1 6 . 1 1 49 49 ALA H H 64 8.045 8.045 7.868 0.177 17645
2283 1 6 . 1 1 50 50 LYS N N 65 121.947 121.947 116.803 5.144 17645
2284 1 6 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.258 -0.219 17645
2285 1 6 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.521 1.999 17645
2286 1 6 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.897 0.783 17645
2287 1 6 . 1 1 50 50 LYS H H 65 8.063 8.063 7.638 0.425 17645
2288 1 6 . 1 1 51 51 ILE N N 66 121.189 121.189 117.868 3.321 17645
2289 1 6 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.955 -0.205 17645
2290 1 6 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.363 3.377 17645
2291 1 6 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.273 1.847 17645
2292 1 6 . 1 1 51 51 ILE H H 66 8.437 8.437 8.308 0.129 17645
2293 1 6 . 1 1 52 52 LYS N N 67 117.119 117.119 118.830 -1.711 17645
2294 1 6 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.381 -0.245 17645
2295 1 6 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.136 2.074 17645
2296 1 6 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.135 0.545 17645
2297 1 6 . 1 1 52 52 LYS H H 67 7.622 7.622 7.795 -0.173 17645
2298 1 6 . 1 1 53 53 SER N N 68 111.824 111.824 114.210 -2.386 17645
2299 1 6 . 1 1 53 53 SER HA H 68 4.602 4.602 4.592 0.010 17645
2300 1 6 . 1 1 53 53 SER CA C 68 59.960 59.960 58.584 1.376 17645
2301 1 6 . 1 1 53 53 SER CB C 68 65.750 65.750 63.856 1.894 17645
2302 1 6 . 1 1 53 53 SER H H 68 7.750 7.750 7.565 0.185 17645
2303 1 6 . 1 1 54 54 THR N N 69 115.916 115.916 113.157 2.759 17645
2304 1 6 . 1 1 54 54 THR HA H 69 4.596 4.596 4.521 0.075 17645
2305 1 6 . 1 1 54 54 THR CA C 69 62.460 62.460 61.358 1.101 17645
2306 1 6 . 1 1 54 54 THR CB C 69 71.650 71.650 70.003 1.647 17645
2307 1 6 . 1 1 54 54 THR H H 69 7.972 7.972 7.313 0.659 17645
2308 1 6 . 1 1 55 55 MET N N 70 121.343 121.343 121.136 0.207 17645
2309 1 6 . 1 1 55 55 MET HA H 70 4.551 4.551 4.719 -0.168 17645
2310 1 6 . 1 1 55 55 MET CA C 70 56.050 56.050 54.248 1.802 17645
2311 1 6 . 1 1 55 55 MET CB C 70 32.500 32.500 32.864 -0.364 17645
2312 1 6 . 1 1 55 55 MET H H 70 8.306 8.306 8.431 -0.125 17645
2313 1 6 . 1 1 56 56 MET N N 71 123.196 123.196 120.640 2.556 17645
2314 1 6 . 1 1 56 56 MET HA H 71 4.706 4.706 4.427 0.279 17645
2315 1 6 . 1 1 56 56 MET CA C 71 55.860 55.860 55.969 -0.109 17645
2316 1 6 . 1 1 56 56 MET CB C 71 37.620 37.620 32.820 4.800 17645
2317 1 6 . 1 1 56 56 MET H H 71 8.114 8.114 7.625 0.489 17645
2318 1 6 . 1 1 57 57 THR N N 72 113.158 113.158 116.744 -3.586 17645
2319 1 6 . 1 1 57 57 THR HA H 72 4.483 4.483 4.487 -0.004 17645
2320 1 6 . 1 1 57 57 THR CA C 72 61.080 61.080 61.443 -0.363 17645
2321 1 6 . 1 1 57 57 THR CB C 72 71.670 71.670 70.084 1.586 17645
2322 1 6 . 1 1 57 57 THR H H 72 8.486 8.486 8.191 0.295 17645
2323 1 6 . 1 1 58 58 ARG N N 73 121.911 121.911 125.214 -3.303 17645
2324 1 6 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.950 -0.041 17645
2325 1 6 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.986 0.534 17645
2326 1 6 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.834 0.496 17645
2327 1 6 . 1 1 58 58 ARG H H 73 8.961 8.961 8.940 0.021 17645
2328 1 6 . 1 1 59 59 GLU N N 74 118.955 118.955 118.554 0.401 17645
2329 1 6 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.021 0.011 17645
2330 1 6 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.531 0.359 17645
2331 1 6 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.884 1.076 17645
2332 1 6 . 1 1 59 59 GLU H H 74 8.833 8.833 8.827 0.006 17645
2333 1 6 . 1 1 60 60 GLN N N 75 121.077 121.077 118.748 2.329 17645
2334 1 6 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.109 -0.119 17645
2335 1 6 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.873 0.527 17645
2336 1 6 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.256 1.134 17645
2337 1 6 . 1 1 60 60 GLN H H 75 7.801 7.801 7.650 0.151 17645
2338 1 6 . 1 1 61 61 ILE N N 76 120.016 120.016 119.578 0.438 17645
2339 1 6 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.103 -0.674 17645
2340 1 6 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.812 4.048 17645
2341 1 6 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.852 1.858 17645
2342 1 6 . 1 1 61 61 ILE H H 76 8.250 8.250 7.504 0.746 17645
2343 1 6 . 1 1 62 62 GLN N N 77 119.153 119.153 120.120 -0.967 17645
2344 1 6 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.997 -0.230 17645
2345 1 6 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.277 0.493 17645
2346 1 6 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.482 0.598 17645
2347 1 6 . 1 1 62 62 GLN H H 77 8.295 8.295 8.111 0.184 17645
2348 1 6 . 1 1 63 63 LYS N N 78 118.200 118.200 120.027 -1.827 17645
2349 1 6 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.343 -0.189 17645
2350 1 6 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.717 1.433 17645
2351 1 6 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.355 0.955 17645
2352 1 6 . 1 1 63 63 LYS H H 78 7.839 7.839 7.853 -0.014 17645
2353 1 6 . 1 1 64 64 GLU N N 79 120.133 120.133 119.305 0.828 17645
2354 1 6 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.005 0.137 17645
2355 1 6 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.378 0.952 17645
2356 1 6 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.453 1.157 17645
2357 1 6 . 1 1 64 64 GLU H H 79 7.899 7.899 8.013 -0.114 17645
2358 1 6 . 1 1 65 65 TYR N N 80 122.505 122.505 119.885 2.620 17645
2359 1 6 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.176 -0.234 17645
2360 1 6 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.461 1.299 17645
2361 1 6 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.553 0.917 17645
2362 1 6 . 1 1 65 65 TYR H H 80 9.023 9.023 8.025 0.998 17645
2363 1 6 . 1 1 66 66 ASP N N 81 120.497 120.497 119.817 0.680 17645
2364 1 6 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.326 -0.109 17645
2365 1 6 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.033 1.067 17645
2366 1 6 . 1 1 66 66 ASP CB C 81 40.640 40.640 39.947 0.693 17645
2367 1 6 . 1 1 66 66 ASP H H 81 9.089 9.089 7.948 1.141 17645
2368 1 6 . 1 1 67 67 ALA N N 82 122.397 122.397 122.663 -0.266 17645
2369 1 6 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.010 0.177 17645
2370 1 6 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.171 0.659 17645
2371 1 6 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.461 0.459 17645
2372 1 6 . 1 1 67 67 ALA H H 82 7.636 7.636 8.245 -0.609 17645
2373 1 6 . 1 1 68 68 LEU N N 83 121.806 121.806 117.986 3.820 17645
2374 1 6 . 1 1 68 68 LEU HA H 83 4.145 4.145 3.989 0.156 17645
2375 1 6 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.433 0.847 17645
2376 1 6 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.812 1.048 17645
2377 1 6 . 1 1 68 68 LEU H H 83 7.727 7.727 7.572 0.155 17645
2378 1 6 . 1 1 69 69 VAL N N 84 123.560 123.560 120.180 3.380 17645
2379 1 6 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.548 -0.243 17645
2380 1 6 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.356 1.684 17645
2381 1 6 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.560 1.630 17645
2382 1 6 . 1 1 69 69 VAL H H 84 8.560 8.560 7.723 0.837 17645
2383 1 6 . 1 1 70 70 LYS N N 85 121.398 121.398 120.738 0.660 17645
2384 1 6 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.182 -0.090 17645
2385 1 6 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.477 0.773 17645
2386 1 6 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.125 0.635 17645
2387 1 6 . 1 1 70 70 LYS H H 85 7.956 7.956 8.371 -0.415 17645
2388 1 6 . 1 1 71 71 SER N N 86 114.825 114.825 114.784 0.041 17645
2389 1 6 . 1 1 71 71 SER HA H 86 4.298 4.298 4.139 0.159 17645
2390 1 6 . 1 1 71 71 SER CA C 86 62.810 62.810 62.027 0.783 17645
2391 1 6 . 1 1 71 71 SER CB C 86 63.640 63.640 63.061 0.579 17645
2392 1 6 . 1 1 71 71 SER H H 86 8.284 8.284 7.850 0.434 17645
2393 1 6 . 1 1 72 72 SER N N 87 118.845 118.845 117.232 1.613 17645
2394 1 6 . 1 1 72 72 SER HA H 87 4.269 4.269 4.009 0.260 17645
2395 1 6 . 1 1 72 72 SER CA C 87 62.940 62.940 61.625 1.315 17645
2396 1 6 . 1 1 72 72 SER CB C 87 63.870 63.870 63.037 0.833 17645
2397 1 6 . 1 1 72 72 SER H H 87 8.421 8.421 8.254 0.167 17645
2398 1 6 . 1 1 73 73 GLU N N 88 124.809 124.809 120.091 4.718 17645
2399 1 6 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.931 0.121 17645
2400 1 6 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.170 1.060 17645
2401 1 6 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.086 1.144 17645
2402 1 6 . 1 1 73 73 GLU H H 88 8.376 8.376 7.969 0.407 17645
2403 1 6 . 1 1 74 74 ASP N N 89 122.193 122.193 120.750 1.443 17645
2404 1 6 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.412 -0.001 17645
2405 1 6 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.351 0.559 17645
2406 1 6 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.668 -0.088 17645
2407 1 6 . 1 1 74 74 ASP H H 89 8.734 8.734 7.817 0.917 17645
2408 1 6 . 1 1 75 75 LEU N N 90 123.280 123.280 121.592 1.688 17645
2409 1 6 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.979 0.311 17645
2410 1 6 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.245 0.315 17645
2411 1 6 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.822 0.208 17645
2412 1 6 . 1 1 75 75 LEU H H 90 7.986 7.986 7.419 0.567 17645
2413 1 6 . 1 1 76 76 LEU N N 91 120.488 120.488 118.693 1.795 17645
2414 1 6 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.720 0.118 17645
2415 1 6 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.301 0.899 17645
2416 1 6 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.991 0.519 17645
2417 1 6 . 1 1 76 76 LEU H H 91 8.280 8.280 7.710 0.570 17645
2418 1 6 . 1 1 77 77 SER N N 92 113.817 113.817 114.663 -0.846 17645
2419 1 6 . 1 1 77 77 SER HA H 92 4.235 4.235 4.061 0.174 17645
2420 1 6 . 1 1 77 77 SER CA C 92 62.200 62.200 62.134 0.066 17645
2421 1 6 . 1 1 77 77 SER CB C 92 63.440 63.440 62.685 0.755 17645
2422 1 6 . 1 1 77 77 SER H H 92 8.219 8.219 7.867 0.352 17645
2423 1 6 . 1 1 78 78 ALA N N 93 124.902 124.902 124.410 0.492 17645
2424 1 6 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.066 0.100 17645
2425 1 6 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.938 0.922 17645
2426 1 6 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.319 0.441 17645
2427 1 6 . 1 1 78 78 ALA H H 93 7.949 7.949 7.740 0.209 17645
2428 1 6 . 1 1 79 79 LEU N N 94 120.602 120.602 119.538 1.064 17645
2429 1 6 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.882 0.185 17645
2430 1 6 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.218 0.252 17645
2431 1 6 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.587 1.024 17645
2432 1 6 . 1 1 79 79 LEU H H 94 8.587 8.587 8.312 0.275 17645
2433 1 6 . 1 1 80 80 GLN N N 95 119.525 119.525 118.452 1.073 17645
2434 1 6 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.919 0.129 17645
2435 1 6 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.558 0.032 17645
2436 1 6 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.288 0.552 17645
2437 1 6 . 1 1 80 80 GLN H H 95 8.561 8.561 8.613 -0.052 17645
2438 1 6 . 1 1 81 81 LYS N N 96 121.075 121.075 118.291 2.784 17645
2439 1 6 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.344 -0.207 17645
2440 1 6 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.090 0.960 17645
2441 1 6 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.182 0.758 17645
2442 1 6 . 1 1 81 81 LYS H H 96 8.003 8.003 7.670 0.333 17645
2443 1 6 . 1 1 82 82 LYS N N 97 121.415 121.415 119.590 1.825 17645
2444 1 6 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.087 0.038 17645
2445 1 6 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.687 0.283 17645
2446 1 6 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.454 0.666 17645
2447 1 6 . 1 1 82 82 LYS H H 97 7.903 7.903 7.770 0.133 17645
2448 1 6 . 1 1 83 83 LYS N N 98 121.081 121.081 118.679 2.402 17645
2449 1 6 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.032 -0.050 17645
2450 1 6 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.987 1.023 17645
2451 1 6 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.855 1.264 17645
2452 1 6 . 1 1 83 83 LYS H H 98 8.202 8.202 8.307 -0.105 17645
2453 1 6 . 1 1 84 84 GLN N N 99 119.576 119.576 119.379 0.197 17645
2454 1 6 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.103 0.021 17645
2455 1 6 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.079 1.731 17645
2456 1 6 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.452 0.508 17645
2457 1 6 . 1 1 84 84 GLN H H 99 8.125 8.125 8.103 0.022 17645
2458 1 6 . 1 1 85 85 GLN N N 100 120.009 120.009 119.704 0.305 17645
2459 1 6 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.145 -0.024 17645
2460 1 6 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.859 2.731 17645
2461 1 6 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.597 -0.577 17645
2462 1 6 . 1 1 85 85 GLN H H 100 8.341 8.341 7.727 0.614 17645
2463 1 6 . 1 1 86 86 GLU N N 101 121.718 121.718 115.708 6.010 17645
2464 1 6 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.926 0.209 17645
2465 1 6 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.298 3.132 17645
2466 1 6 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.542 2.598 17645
2467 1 6 . 1 1 86 86 GLU H H 101 8.275 8.275 7.939 0.336 17645
2468 1 6 . 1 1 87 87 GLU N N 102 121.412 121.412 116.859 4.553 17645
2469 1 6 . 1 1 87 87 GLU HA H 102 4.116 4.116 3.998 0.118 17645
2470 1 6 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.883 2.077 17645
2471 1 6 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.726 0.564 17645
2472 1 6 . 1 1 87 87 GLU H H 102 8.330 8.330 8.397 -0.067 17645
2473 1 7 . 1 1 2 2 GLY N N 17 110.356 110.356 114.545 -4.189 17645
2474 1 7 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.723 0.887 17645
2475 1 7 . 1 1 2 2 GLY H H 17 8.065 8.065 8.594 -0.529 17645
2476 1 7 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.584 -0.191 17645
2477 1 7 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.802 1.868 17645
2478 1 7 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.962 -0.262 17645
2479 1 7 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.374 1.356 17645
2480 1 7 . 1 1 5 5 SER HA H 20 4.192 4.192 4.507 -0.315 17645
2481 1 7 . 1 1 5 5 SER CA C 20 60.960 60.960 59.809 1.151 17645
2482 1 7 . 1 1 5 5 SER CB C 20 64.250 64.250 63.940 0.310 17645
2483 1 7 . 1 1 6 6 LEU N N 21 122.731 122.731 123.620 -0.889 17645
2484 1 7 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.999 0.121 17645
2485 1 7 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.072 -0.352 17645
2486 1 7 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.704 1.266 17645
2487 1 7 . 1 1 6 6 LEU H H 21 8.052 8.052 8.402 -0.350 17645
2488 1 7 . 1 1 7 7 VAL N N 22 119.948 119.948 118.553 1.395 17645
2489 1 7 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.651 0.102 17645
2490 1 7 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.016 -0.666 17645
2491 1 7 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.449 1.151 17645
2492 1 7 . 1 1 7 7 VAL H H 22 7.676 7.676 8.128 -0.452 17645
2493 1 7 . 1 1 8 8 LYS N N 23 122.400 122.400 119.628 2.772 17645
2494 1 7 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.079 0.108 17645
2495 1 7 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.645 -0.815 17645
2496 1 7 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.392 0.168 17645
2497 1 7 . 1 1 8 8 LYS H H 23 7.830 7.830 7.531 0.299 17645
2498 1 7 . 1 1 9 9 VAL N N 24 121.205 121.205 118.535 2.670 17645
2499 1 7 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.702 0.124 17645
2500 1 7 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.005 -0.145 17645
2501 1 7 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.584 0.866 17645
2502 1 7 . 1 1 9 9 VAL H H 24 8.194 8.194 7.748 0.446 17645
2503 1 7 . 1 1 10 10 GLY N N 25 107.900 107.900 106.483 1.417 17645
2504 1 7 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.483 0.177 17645
2505 1 7 . 1 1 10 10 GLY H H 25 8.446 8.446 8.108 0.338 17645
2506 1 7 . 1 1 11 11 THR N N 26 116.800 116.800 119.474 -2.674 17645
2507 1 7 . 1 1 11 11 THR HA H 26 4.109 4.109 3.946 0.163 17645
2508 1 7 . 1 1 11 11 THR CA C 26 66.300 66.300 66.417 -0.117 17645
2509 1 7 . 1 1 11 11 THR CB C 26 69.690 69.690 68.277 1.413 17645
2510 1 7 . 1 1 11 11 THR H H 26 7.992 7.992 8.044 -0.052 17645
2511 1 7 . 1 1 12 12 LEU N N 27 123.983 123.983 122.732 1.251 17645
2512 1 7 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.944 0.183 17645
2513 1 7 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.939 0.531 17645
2514 1 7 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.526 1.284 17645
2515 1 7 . 1 1 12 12 LEU H H 27 7.934 7.934 7.989 -0.055 17645
2516 1 7 . 1 1 13 13 LYS N N 28 117.513 117.513 119.096 -1.583 17645
2517 1 7 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.753 0.150 17645
2518 1 7 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.119 0.031 17645
2519 1 7 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.162 0.568 17645
2520 1 7 . 1 1 13 13 LYS H H 28 7.824 7.824 7.802 0.022 17645
2521 1 7 . 1 1 14 14 LYS N N 29 119.275 119.275 118.877 0.398 17645
2522 1 7 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.989 0.162 17645
2523 1 7 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.561 -0.101 17645
2524 1 7 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.166 0.584 17645
2525 1 7 . 1 1 14 14 LYS H H 29 7.685 7.685 7.630 0.055 17645
2526 1 7 . 1 1 15 15 ARG N N 30 119.090 119.090 119.728 -0.638 17645
2527 1 7 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.712 0.348 17645
2528 1 7 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.817 0.213 17645
2529 1 7 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.888 0.622 17645
2530 1 7 . 1 1 15 15 ARG H H 30 7.709 7.709 7.517 0.192 17645
2531 1 7 . 1 1 16 16 LEU N N 31 118.473 118.473 121.873 -3.400 17645
2532 1 7 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.920 0.057 17645
2533 1 7 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.569 -0.489 17645
2534 1 7 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.994 -0.674 17645
2535 1 7 . 1 1 16 16 LEU H H 31 7.595 7.595 8.133 -0.538 17645
2536 1 7 . 1 1 17 17 ASP N N 32 120.020 120.020 118.690 1.330 17645
2537 1 7 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.206 0.233 17645
2538 1 7 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.910 0.070 17645
2539 1 7 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.453 0.427 17645
2540 1 7 . 1 1 17 17 ASP H H 32 7.858 7.858 7.771 0.087 17645
2541 1 7 . 1 1 18 18 LYS N N 33 119.708 119.708 120.606 -0.898 17645
2542 1 7 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.966 0.232 17645
2543 1 7 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.655 -0.185 17645
2544 1 7 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.751 0.439 17645
2545 1 7 . 1 1 18 18 LYS H H 33 7.564 7.564 7.389 0.175 17645
2546 1 7 . 1 1 19 19 PHE N N 34 118.256 118.256 117.608 0.648 17645
2547 1 7 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.195 0.056 17645
2548 1 7 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.103 0.607 17645
2549 1 7 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.642 1.108 17645
2550 1 7 . 1 1 19 19 PHE H H 34 7.884 7.884 7.342 0.542 17645
2551 1 7 . 1 1 20 20 ASN N N 35 117.779 117.779 118.027 -0.248 17645
2552 1 7 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.369 0.091 17645
2553 1 7 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.704 0.646 17645
2554 1 7 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.018 0.982 17645
2555 1 7 . 1 1 20 20 ASN H H 35 8.054 8.054 8.024 0.030 17645
2556 1 7 . 1 1 21 21 GLU N N 36 120.312 120.312 121.187 -0.875 17645
2557 1 7 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.054 0.052 17645
2558 1 7 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.644 0.126 17645
2559 1 7 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.650 0.860 17645
2560 1 7 . 1 1 21 21 GLU H H 36 7.983 7.983 7.805 0.178 17645
2561 1 7 . 1 1 22 22 VAL N N 37 119.756 119.756 119.458 0.298 17645
2562 1 7 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.661 0.181 17645
2563 1 7 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.243 -0.133 17645
2564 1 7 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.748 0.932 17645
2565 1 7 . 1 1 22 22 VAL H H 37 7.670 7.670 7.727 -0.057 17645
2566 1 7 . 1 1 23 23 VAL N N 38 118.300 118.300 119.181 -0.881 17645
2567 1 7 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.597 0.080 17645
2568 1 7 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.662 -0.112 17645
2569 1 7 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.352 1.127 17645
2570 1 7 . 1 1 23 23 VAL H H 38 8.159 8.159 8.414 -0.255 17645
2571 1 7 . 1 1 24 24 SER N N 39 113.952 113.952 116.096 -2.144 17645
2572 1 7 . 1 1 24 24 SER HA H 39 4.170 4.170 4.223 -0.053 17645
2573 1 7 . 1 1 24 24 SER CA C 39 61.880 61.880 61.355 0.525 17645
2574 1 7 . 1 1 24 24 SER CB C 39 63.740 63.740 63.065 0.675 17645
2575 1 7 . 1 1 24 24 SER H H 39 7.773 7.773 8.351 -0.578 17645
2576 1 7 . 1 1 25 25 ALA N N 40 122.572 122.572 123.863 -1.291 17645
2577 1 7 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.136 0.289 17645
2578 1 7 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.243 -1.363 17645
2579 1 7 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.855 1.595 17645
2580 1 7 . 1 1 25 25 ALA H H 40 7.436 7.436 7.815 -0.379 17645
2581 1 7 . 1 1 26 26 LEU N N 41 120.677 120.677 115.376 5.301 17645
2582 1 7 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.383 -0.002 17645
2583 1 7 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.759 0.101 17645
2584 1 7 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.750 0.440 17645
2585 1 7 . 1 1 26 26 LEU H H 41 7.499 7.499 7.594 -0.095 17645
2586 1 7 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.879 0.406 17645
2587 1 7 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.992 0.258 17645
2588 1 7 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.738 3.132 17645
2589 1 7 . 1 1 28 28 ASP N N 43 120.989 120.989 120.563 0.426 17645
2590 1 7 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.694 0.107 17645
2591 1 7 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.751 0.809 17645
2592 1 7 . 1 1 28 28 ASP CB C 43 43.440 43.440 40.876 2.564 17645
2593 1 7 . 1 1 28 28 ASP H H 43 8.513 8.513 8.090 0.423 17645
2594 1 7 . 1 1 29 29 GLY N N 44 108.379 108.379 113.792 -5.413 17645
2595 1 7 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.023 1.517 17645
2596 1 7 . 1 1 29 29 GLY H H 44 8.425 8.425 8.299 0.126 17645
2597 1 7 . 1 1 30 30 LYS N N 45 119.932 119.932 120.858 -0.926 17645
2598 1 7 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.231 -0.152 17645
2599 1 7 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.503 1.017 17645
2600 1 7 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.583 0.487 17645
2601 1 7 . 1 1 30 30 LYS H H 45 8.269 8.269 8.489 -0.220 17645
2602 1 7 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.296 0.012 17645
2603 1 7 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.144 0.896 17645
2604 1 7 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.945 0.875 17645
2605 1 7 . 1 1 32 32 GLU N N 47 118.526 118.526 118.344 0.182 17645
2606 1 7 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.069 0.064 17645
2607 1 7 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.251 0.919 17645
2608 1 7 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.597 1.313 17645
2609 1 7 . 1 1 32 32 GLU H H 47 8.189 8.189 8.828 -0.639 17645
2610 1 7 . 1 1 33 33 VAL N N 48 120.183 120.183 121.703 -1.520 17645
2611 1 7 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.572 0.340 17645
2612 1 7 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.354 -0.054 17645
2613 1 7 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.556 0.804 17645
2614 1 7 . 1 1 33 33 VAL H H 48 7.744 7.744 7.754 -0.010 17645
2615 1 7 . 1 1 34 34 ASN N N 49 119.700 119.700 117.425 2.275 17645
2616 1 7 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.463 -0.013 17645
2617 1 7 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.038 1.012 17645
2618 1 7 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.923 0.727 17645
2619 1 7 . 1 1 34 34 ASN H H 49 8.582 8.582 8.662 -0.080 17645
2620 1 7 . 1 1 35 35 ARG N N 50 121.009 121.009 121.249 -0.240 17645
2621 1 7 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.052 0.085 17645
2622 1 7 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.404 0.366 17645
2623 1 7 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.199 0.571 17645
2624 1 7 . 1 1 35 35 ARG H H 50 7.848 7.848 8.181 -0.333 17645
2625 1 7 . 1 1 36 36 GLN N N 51 119.394 119.394 119.422 -0.028 17645
2626 1 7 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.117 -0.054 17645
2627 1 7 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.000 1.010 17645
2628 1 7 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.994 0.776 17645
2629 1 7 . 1 1 36 36 GLN H H 51 7.685 7.685 7.739 -0.054 17645
2630 1 7 . 1 1 37 37 ILE N N 52 122.006 122.006 119.237 2.769 17645
2631 1 7 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.694 -0.240 17645
2632 1 7 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.548 0.752 17645
2633 1 7 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.644 1.256 17645
2634 1 7 . 1 1 37 37 ILE H H 52 8.293 8.293 8.818 -0.525 17645
2635 1 7 . 1 1 38 38 LYS N N 53 121.163 121.163 120.523 0.640 17645
2636 1 7 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.998 0.173 17645
2637 1 7 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.626 -0.576 17645
2638 1 7 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.174 -0.244 17645
2639 1 7 . 1 1 38 38 LYS H H 53 8.169 8.169 7.865 0.304 17645
2640 1 7 . 1 1 39 39 ASN N N 54 117.219 117.219 118.274 -1.055 17645
2641 1 7 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.408 0.075 17645
2642 1 7 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.060 0.550 17645
2643 1 7 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.070 0.370 17645
2644 1 7 . 1 1 39 39 ASN H H 54 8.171 8.171 7.877 0.294 17645
2645 1 7 . 1 1 40 40 LEU N N 55 123.907 123.907 120.933 2.974 17645
2646 1 7 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.186 0.019 17645
2647 1 7 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.904 0.936 17645
2648 1 7 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.804 0.266 17645
2649 1 7 . 1 1 40 40 LEU H H 55 7.702 7.702 7.942 -0.240 17645
2650 1 7 . 1 1 41 41 GLU N N 56 121.779 121.779 119.615 2.164 17645
2651 1 7 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.958 -0.256 17645
2652 1 7 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.633 1.817 17645
2653 1 7 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.672 0.658 17645
2654 1 7 . 1 1 41 41 GLU H H 56 8.442 8.442 7.895 0.547 17645
2655 1 7 . 1 1 42 42 ILE N N 57 119.133 119.133 119.444 -0.311 17645
2656 1 7 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.795 0.088 17645
2657 1 7 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.157 0.393 17645
2658 1 7 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.905 1.045 17645
2659 1 7 . 1 1 42 42 ILE H H 57 8.531 8.531 8.657 -0.126 17645
2660 1 7 . 1 1 43 43 SER N N 58 118.622 118.622 116.622 2.000 17645
2661 1 7 . 1 1 43 43 SER HA H 58 4.322 4.322 4.119 0.203 17645
2662 1 7 . 1 1 43 43 SER CA C 58 62.940 62.940 62.143 0.797 17645
2663 1 7 . 1 1 43 43 SER CB C 58 63.500 63.500 62.622 0.878 17645
2664 1 7 . 1 1 43 43 SER H H 58 8.027 8.027 7.657 0.370 17645
2665 1 7 . 1 1 44 44 ILE N N 59 126.416 126.416 122.423 3.993 17645
2666 1 7 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.622 0.006 17645
2667 1 7 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.719 1.191 17645
2668 1 7 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.669 1.491 17645
2669 1 7 . 1 1 44 44 ILE H H 59 8.543 8.543 8.208 0.335 17645
2670 1 7 . 1 1 45 45 ASP N N 60 121.563 121.563 119.504 2.059 17645
2671 1 7 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.289 0.118 17645
2672 1 7 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.502 0.778 17645
2673 1 7 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.205 0.555 17645
2674 1 7 . 1 1 45 45 ASP H H 60 8.406 8.406 7.871 0.535 17645
2675 1 7 . 1 1 46 46 ALA N N 61 123.500 123.500 122.575 0.925 17645
2676 1 7 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.079 0.123 17645
2677 1 7 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.012 0.698 17645
2678 1 7 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.502 0.158 17645
2679 1 7 . 1 1 46 46 ALA H H 61 8.538 8.538 7.871 0.667 17645
2680 1 7 . 1 1 47 47 LEU N N 62 121.942 121.942 119.861 2.081 17645
2681 1 7 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.895 0.399 17645
2682 1 7 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.677 -0.017 17645
2683 1 7 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.886 -0.746 17645
2684 1 7 . 1 1 47 47 LEU H H 62 7.801 7.801 7.720 0.081 17645
2685 1 7 . 1 1 48 48 MET N N 63 118.068 118.068 116.511 1.557 17645
2686 1 7 . 1 1 48 48 MET HA H 63 3.945 3.945 3.872 0.073 17645
2687 1 7 . 1 1 48 48 MET CA C 63 60.330 60.330 58.813 1.517 17645
2688 1 7 . 1 1 48 48 MET CB C 63 33.110 33.110 31.123 1.987 17645
2689 1 7 . 1 1 48 48 MET H H 63 8.261 8.261 7.767 0.494 17645
2690 1 7 . 1 1 49 49 ALA N N 64 120.428 120.428 120.800 -0.372 17645
2691 1 7 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.067 0.033 17645
2692 1 7 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.830 0.940 17645
2693 1 7 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.063 0.707 17645
2694 1 7 . 1 1 49 49 ALA H H 64 8.045 8.045 8.031 0.014 17645
2695 1 7 . 1 1 50 50 LYS N N 65 121.947 121.947 118.283 3.664 17645
2696 1 7 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.307 -0.268 17645
2697 1 7 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.798 1.722 17645
2698 1 7 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.807 0.873 17645
2699 1 7 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645
2700 1 7 . 1 1 51 51 ILE N N 66 121.189 121.189 118.471 2.718 17645
2701 1 7 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.932 -0.182 17645
2702 1 7 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.943 2.797 17645
2703 1 7 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.235 1.885 17645
2704 1 7 . 1 1 51 51 ILE H H 66 8.437 8.437 8.251 0.186 17645
2705 1 7 . 1 1 52 52 LYS N N 67 117.119 117.119 117.255 -0.136 17645
2706 1 7 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.333 -0.197 17645
2707 1 7 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.608 1.603 17645
2708 1 7 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.970 0.710 17645
2709 1 7 . 1 1 52 52 LYS H H 67 7.622 7.622 7.805 -0.183 17645
2710 1 7 . 1 1 53 53 SER N N 68 111.824 111.824 114.837 -3.013 17645
2711 1 7 . 1 1 53 53 SER HA H 68 4.602 4.602 4.584 0.018 17645
2712 1 7 . 1 1 53 53 SER CA C 68 59.960 59.960 58.416 1.544 17645
2713 1 7 . 1 1 53 53 SER CB C 68 65.750 65.750 62.909 2.841 17645
2714 1 7 . 1 1 53 53 SER H H 68 7.750 7.750 7.831 -0.081 17645
2715 1 7 . 1 1 54 54 THR N N 69 115.916 115.916 112.135 3.781 17645
2716 1 7 . 1 1 54 54 THR HA H 69 4.596 4.596 4.327 0.269 17645
2717 1 7 . 1 1 54 54 THR CA C 69 62.460 62.460 62.075 0.385 17645
2718 1 7 . 1 1 54 54 THR CB C 69 71.650 71.650 69.652 1.998 17645
2719 1 7 . 1 1 54 54 THR H H 69 7.972 7.972 7.094 0.878 17645
2720 1 7 . 1 1 55 55 MET N N 70 121.343 121.343 122.488 -1.145 17645
2721 1 7 . 1 1 55 55 MET HA H 70 4.551 4.551 4.719 -0.168 17645
2722 1 7 . 1 1 55 55 MET CA C 70 56.050 56.050 54.444 1.606 17645
2723 1 7 . 1 1 55 55 MET CB C 70 32.500 32.500 31.335 1.165 17645
2724 1 7 . 1 1 55 55 MET H H 70 8.306 8.306 8.542 -0.236 17645
2725 1 7 . 1 1 56 56 MET N N 71 123.196 123.196 120.081 3.115 17645
2726 1 7 . 1 1 56 56 MET HA H 71 4.706 4.706 4.621 0.085 17645
2727 1 7 . 1 1 56 56 MET CA C 71 55.860 55.860 55.519 0.341 17645
2728 1 7 . 1 1 56 56 MET CB C 71 37.620 37.620 33.228 4.392 17645
2729 1 7 . 1 1 56 56 MET H H 71 8.114 8.114 7.766 0.348 17645
2730 1 7 . 1 1 57 57 THR N N 72 113.158 113.158 115.204 -2.046 17645
2731 1 7 . 1 1 57 57 THR HA H 72 4.483 4.483 4.641 -0.158 17645
2732 1 7 . 1 1 57 57 THR CA C 72 61.080 61.080 61.810 -0.730 17645
2733 1 7 . 1 1 57 57 THR CB C 72 71.670 71.670 70.463 1.207 17645
2734 1 7 . 1 1 57 57 THR H H 72 8.486 8.486 8.475 0.011 17645
2735 1 7 . 1 1 58 58 ARG N N 73 121.911 121.911 125.665 -3.754 17645
2736 1 7 . 1 1 58 58 ARG HA H 73 3.909 3.909 4.006 -0.097 17645
2737 1 7 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.247 1.273 17645
2738 1 7 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.700 0.630 17645
2739 1 7 . 1 1 58 58 ARG H H 73 8.961 8.961 8.858 0.103 17645
2740 1 7 . 1 1 59 59 GLU N N 74 118.955 118.955 119.207 -0.252 17645
2741 1 7 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.000 0.032 17645
2742 1 7 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.703 1.187 17645
2743 1 7 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.051 0.909 17645
2744 1 7 . 1 1 59 59 GLU H H 74 8.833 8.833 8.712 0.121 17645
2745 1 7 . 1 1 60 60 GLN N N 75 121.077 121.077 118.383 2.694 17645
2746 1 7 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645
2747 1 7 . 1 1 60 60 GLN CA C 75 59.400 59.400 59.126 0.274 17645
2748 1 7 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.263 1.127 17645
2749 1 7 . 1 1 60 60 GLN H H 75 7.801 7.801 7.686 0.115 17645
2750 1 7 . 1 1 61 61 ILE N N 76 120.016 120.016 118.128 1.888 17645
2751 1 7 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.867 -0.438 17645
2752 1 7 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.910 2.950 17645
2753 1 7 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.857 1.853 17645
2754 1 7 . 1 1 61 61 ILE H H 76 8.250 8.250 7.249 1.001 17645
2755 1 7 . 1 1 62 62 GLN N N 77 119.153 119.153 119.905 -0.752 17645
2756 1 7 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.046 -0.279 17645
2757 1 7 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.098 0.672 17645
2758 1 7 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.393 0.687 17645
2759 1 7 . 1 1 62 62 GLN H H 77 8.295 8.295 7.969 0.326 17645
2760 1 7 . 1 1 63 63 LYS N N 78 118.200 118.200 120.290 -2.090 17645
2761 1 7 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.028 0.126 17645
2762 1 7 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.750 0.400 17645
2763 1 7 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.368 0.942 17645
2764 1 7 . 1 1 63 63 LYS H H 78 7.839 7.839 7.956 -0.117 17645
2765 1 7 . 1 1 64 64 GLU N N 79 120.133 120.133 119.309 0.824 17645
2766 1 7 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.993 0.149 17645
2767 1 7 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.681 0.649 17645
2768 1 7 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.611 0.999 17645
2769 1 7 . 1 1 64 64 GLU H H 79 7.899 7.899 8.187 -0.288 17645
2770 1 7 . 1 1 65 65 TYR N N 80 122.505 122.505 119.951 2.554 17645
2771 1 7 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.224 -0.282 17645
2772 1 7 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.877 0.882 17645
2773 1 7 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.437 1.033 17645
2774 1 7 . 1 1 65 65 TYR H H 80 9.023 9.023 7.919 1.104 17645
2775 1 7 . 1 1 66 66 ASP N N 81 120.497 120.497 119.111 1.386 17645
2776 1 7 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.470 -0.253 17645
2777 1 7 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.340 0.759 17645
2778 1 7 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.460 0.180 17645
2779 1 7 . 1 1 66 66 ASP H H 81 9.089 9.089 7.647 1.442 17645
2780 1 7 . 1 1 67 67 ALA N N 82 122.397 122.397 122.620 -0.223 17645
2781 1 7 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.010 0.177 17645
2782 1 7 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.375 0.455 17645
2783 1 7 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.605 0.316 17645
2784 1 7 . 1 1 67 67 ALA H H 82 7.636 7.636 8.334 -0.698 17645
2785 1 7 . 1 1 68 68 LEU N N 83 121.806 121.806 117.737 4.069 17645
2786 1 7 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.010 0.135 17645
2787 1 7 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.632 0.648 17645
2788 1 7 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.697 1.163 17645
2789 1 7 . 1 1 68 68 LEU H H 83 7.727 7.727 7.643 0.084 17645
2790 1 7 . 1 1 69 69 VAL N N 84 123.560 123.560 120.634 2.926 17645
2791 1 7 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.646 -0.341 17645
2792 1 7 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.487 1.553 17645
2793 1 7 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.062 1.128 17645
2794 1 7 . 1 1 69 69 VAL H H 84 8.560 8.560 7.725 0.835 17645
2795 1 7 . 1 1 70 70 LYS N N 85 121.398 121.398 120.694 0.704 17645
2796 1 7 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.003 0.089 17645
2797 1 7 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.851 0.399 17645
2798 1 7 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.132 0.628 17645
2799 1 7 . 1 1 70 70 LYS H H 85 7.956 7.956 8.624 -0.668 17645
2800 1 7 . 1 1 71 71 SER N N 86 114.825 114.825 114.921 -0.096 17645
2801 1 7 . 1 1 71 71 SER HA H 86 4.298 4.298 4.196 0.102 17645
2802 1 7 . 1 1 71 71 SER CA C 86 62.810 62.810 61.972 0.838 17645
2803 1 7 . 1 1 71 71 SER CB C 86 63.640 63.640 62.951 0.689 17645
2804 1 7 . 1 1 71 71 SER H H 86 8.284 8.284 7.890 0.394 17645
2805 1 7 . 1 1 72 72 SER N N 87 118.845 118.845 118.418 0.427 17645
2806 1 7 . 1 1 72 72 SER HA H 87 4.269 4.269 3.946 0.323 17645
2807 1 7 . 1 1 72 72 SER CA C 87 62.940 62.940 62.230 0.710 17645
2808 1 7 . 1 1 72 72 SER CB C 87 63.870 63.870 62.913 0.957 17645
2809 1 7 . 1 1 72 72 SER H H 87 8.421 8.421 8.366 0.055 17645
2810 1 7 . 1 1 73 73 GLU N N 88 124.809 124.809 120.910 3.899 17645
2811 1 7 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.819 0.233 17645
2812 1 7 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.688 0.541 17645
2813 1 7 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.607 0.623 17645
2814 1 7 . 1 1 73 73 GLU H H 88 8.376 8.376 8.221 0.155 17645
2815 1 7 . 1 1 74 74 ASP N N 89 122.193 122.193 119.432 2.761 17645
2816 1 7 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.401 0.010 17645
2817 1 7 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.485 0.425 17645
2818 1 7 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.751 -0.171 17645
2819 1 7 . 1 1 74 74 ASP H H 89 8.734 8.734 7.823 0.911 17645
2820 1 7 . 1 1 75 75 LEU N N 90 123.280 123.280 121.627 1.653 17645
2821 1 7 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.994 0.296 17645
2822 1 7 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.830 0.730 17645
2823 1 7 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.976 0.054 17645
2824 1 7 . 1 1 75 75 LEU H H 90 7.986 7.986 7.059 0.927 17645
2825 1 7 . 1 1 76 76 LEU N N 91 120.488 120.488 119.160 1.328 17645
2826 1 7 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.821 0.017 17645
2827 1 7 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.097 1.103 17645
2828 1 7 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.959 0.550 17645
2829 1 7 . 1 1 76 76 LEU H H 91 8.280 8.280 8.030 0.250 17645
2830 1 7 . 1 1 77 77 SER N N 92 113.817 113.817 114.747 -0.930 17645
2831 1 7 . 1 1 77 77 SER HA H 92 4.235 4.235 4.072 0.163 17645
2832 1 7 . 1 1 77 77 SER CA C 92 62.200 62.200 62.279 -0.079 17645
2833 1 7 . 1 1 77 77 SER CB C 92 63.440 63.440 62.605 0.835 17645
2834 1 7 . 1 1 77 77 SER H H 92 8.219 8.219 7.958 0.261 17645
2835 1 7 . 1 1 78 78 ALA N N 93 124.902 124.902 124.116 0.786 17645
2836 1 7 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.152 0.014 17645
2837 1 7 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.784 1.076 17645
2838 1 7 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.315 0.445 17645
2839 1 7 . 1 1 78 78 ALA H H 93 7.949 7.949 7.752 0.197 17645
2840 1 7 . 1 1 79 79 LEU N N 94 120.602 120.602 119.714 0.888 17645
2841 1 7 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.881 0.186 17645
2842 1 7 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.242 0.228 17645
2843 1 7 . 1 1 79 79 LEU CB C 94 42.610 42.610 42.041 0.569 17645
2844 1 7 . 1 1 79 79 LEU H H 94 8.587 8.587 8.226 0.361 17645
2845 1 7 . 1 1 80 80 GLN N N 95 119.525 119.525 118.880 0.645 17645
2846 1 7 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.947 0.101 17645
2847 1 7 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.284 0.306 17645
2848 1 7 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.242 0.598 17645
2849 1 7 . 1 1 80 80 GLN H H 95 8.561 8.561 8.442 0.119 17645
2850 1 7 . 1 1 81 81 LYS N N 96 121.075 121.075 118.691 2.384 17645
2851 1 7 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.987 0.150 17645
2852 1 7 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.191 0.859 17645
2853 1 7 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.186 0.754 17645
2854 1 7 . 1 1 81 81 LYS H H 96 8.003 8.003 7.808 0.195 17645
2855 1 7 . 1 1 82 82 LYS N N 97 121.415 121.415 120.210 1.205 17645
2856 1 7 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.016 0.109 17645
2857 1 7 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.417 0.553 17645
2858 1 7 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.283 0.837 17645
2859 1 7 . 1 1 82 82 LYS H H 97 7.903 7.903 7.808 0.095 17645
2860 1 7 . 1 1 83 83 LYS N N 98 121.081 121.081 117.938 3.143 17645
2861 1 7 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.097 -0.115 17645
2862 1 7 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.255 0.754 17645
2863 1 7 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.587 0.533 17645
2864 1 7 . 1 1 83 83 LYS H H 98 8.202 8.202 7.750 0.452 17645
2865 1 7 . 1 1 84 84 GLN N N 99 119.576 119.576 116.187 3.389 17645
2866 1 7 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.077 0.047 17645
2867 1 7 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.770 2.040 17645
2868 1 7 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.190 0.770 17645
2869 1 7 . 1 1 84 84 GLN H H 99 8.125 8.125 7.730 0.395 17645
2870 1 7 . 1 1 85 85 GLN N N 100 120.009 120.009 117.893 2.116 17645
2871 1 7 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.200 -0.079 17645
2872 1 7 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.337 2.253 17645
2873 1 7 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.365 -0.345 17645
2874 1 7 . 1 1 85 85 GLN H H 100 8.341 8.341 7.702 0.639 17645
2875 1 7 . 1 1 86 86 GLU N N 101 121.718 121.718 116.370 5.348 17645
2876 1 7 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.911 0.224 17645
2877 1 7 . 1 1 86 86 GLU CA C 101 60.430 60.430 59.187 1.243 17645
2878 1 7 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.855 1.285 17645
2879 1 7 . 1 1 86 86 GLU H H 101 8.275 8.275 8.193 0.082 17645
2880 1 7 . 1 1 87 87 GLU N N 102 121.412 121.412 118.966 2.446 17645
2881 1 7 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.500 -0.384 17645
2882 1 7 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.206 3.754 17645
2883 1 7 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.122 -0.832 17645
2884 1 7 . 1 1 87 87 GLU H H 102 8.330 8.330 7.984 0.346 17645
2885 1 8 . 1 1 2 2 GLY N N 17 110.356 110.356 111.789 -1.433 17645
2886 1 8 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.081 0.528 17645
2887 1 8 . 1 1 2 2 GLY H H 17 8.065 8.065 8.231 -0.166 17645
2888 1 8 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.602 -0.209 17645
2889 1 8 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.907 1.763 17645
2890 1 8 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.820 -0.120 17645
2891 1 8 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.365 1.365 17645
2892 1 8 . 1 1 5 5 SER HA H 20 4.192 4.192 4.492 -0.300 17645
2893 1 8 . 1 1 5 5 SER CA C 20 60.960 60.960 58.349 2.611 17645
2894 1 8 . 1 1 5 5 SER CB C 20 64.250 64.250 63.375 0.875 17645
2895 1 8 . 1 1 6 6 LEU N N 21 122.731 122.731 123.356 -0.625 17645
2896 1 8 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.999 0.121 17645
2897 1 8 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.267 -0.547 17645
2898 1 8 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.858 1.112 17645
2899 1 8 . 1 1 6 6 LEU H H 21 8.052 8.052 8.411 -0.359 17645
2900 1 8 . 1 1 7 7 VAL N N 22 119.948 119.948 119.118 0.830 17645
2901 1 8 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.585 0.168 17645
2902 1 8 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.620 -1.270 17645
2903 1 8 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.638 0.962 17645
2904 1 8 . 1 1 7 7 VAL H H 22 7.676 7.676 8.184 -0.508 17645
2905 1 8 . 1 1 8 8 LYS N N 23 122.400 122.400 118.890 3.510 17645
2906 1 8 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.006 0.181 17645
2907 1 8 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.137 -0.307 17645
2908 1 8 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.834 0.726 17645
2909 1 8 . 1 1 8 8 LYS H H 23 7.830 7.830 7.787 0.043 17645
2910 1 8 . 1 1 9 9 VAL N N 24 121.205 121.205 119.048 2.157 17645
2911 1 8 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.671 0.155 17645
2912 1 8 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.748 0.112 17645
2913 1 8 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.562 0.888 17645
2914 1 8 . 1 1 9 9 VAL H H 24 8.194 8.194 7.501 0.693 17645
2915 1 8 . 1 1 10 10 GLY N N 25 107.900 107.900 106.473 1.427 17645
2916 1 8 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.596 0.064 17645
2917 1 8 . 1 1 10 10 GLY H H 25 8.446 8.446 8.048 0.398 17645
2918 1 8 . 1 1 11 11 THR N N 26 116.800 116.800 119.012 -2.212 17645
2919 1 8 . 1 1 11 11 THR HA H 26 4.109 4.109 3.847 0.262 17645
2920 1 8 . 1 1 11 11 THR CA C 26 66.300 66.300 66.308 -0.007 17645
2921 1 8 . 1 1 11 11 THR CB C 26 69.690 69.690 68.642 1.048 17645
2922 1 8 . 1 1 11 11 THR H H 26 7.992 7.992 7.864 0.128 17645
2923 1 8 . 1 1 12 12 LEU N N 27 123.983 123.983 123.098 0.885 17645
2924 1 8 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.048 0.079 17645
2925 1 8 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.423 0.047 17645
2926 1 8 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.983 0.827 17645
2927 1 8 . 1 1 12 12 LEU H H 27 7.934 7.934 7.990 -0.056 17645
2928 1 8 . 1 1 13 13 LYS N N 28 117.513 117.513 119.061 -1.548 17645
2929 1 8 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.816 0.087 17645
2930 1 8 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.763 0.387 17645
2931 1 8 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.021 0.709 17645
2932 1 8 . 1 1 13 13 LYS H H 28 7.824 7.824 7.830 -0.006 17645
2933 1 8 . 1 1 14 14 LYS N N 29 119.275 119.275 118.459 0.816 17645
2934 1 8 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.913 0.238 17645
2935 1 8 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.838 -0.378 17645
2936 1 8 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.131 0.619 17645
2937 1 8 . 1 1 14 14 LYS H H 29 7.685 7.685 7.646 0.039 17645
2938 1 8 . 1 1 15 15 ARG N N 30 119.090 119.090 119.702 -0.612 17645
2939 1 8 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.757 0.303 17645
2940 1 8 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.720 0.310 17645
2941 1 8 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.362 1.148 17645
2942 1 8 . 1 1 15 15 ARG H H 30 7.709 7.709 7.276 0.433 17645
2943 1 8 . 1 1 16 16 LEU N N 31 118.473 118.473 120.050 -1.577 17645
2944 1 8 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.973 0.004 17645
2945 1 8 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.633 -0.553 17645
2946 1 8 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.452 -0.132 17645
2947 1 8 . 1 1 16 16 LEU H H 31 7.595 7.595 7.830 -0.235 17645
2948 1 8 . 1 1 17 17 ASP N N 32 120.020 120.020 118.766 1.254 17645
2949 1 8 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.230 0.209 17645
2950 1 8 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.471 0.509 17645
2951 1 8 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.723 0.157 17645
2952 1 8 . 1 1 17 17 ASP H H 32 7.858 7.858 7.711 0.147 17645
2953 1 8 . 1 1 18 18 LYS N N 33 119.708 119.708 120.214 -0.506 17645
2954 1 8 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.958 0.240 17645
2955 1 8 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.602 -0.132 17645
2956 1 8 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.686 0.504 17645
2957 1 8 . 1 1 18 18 LYS H H 33 7.564 7.564 7.501 0.063 17645
2958 1 8 . 1 1 19 19 PHE N N 34 118.256 118.256 117.596 0.660 17645
2959 1 8 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.227 0.024 17645
2960 1 8 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.110 0.600 17645
2961 1 8 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.662 1.088 17645
2962 1 8 . 1 1 19 19 PHE H H 34 7.884 7.884 7.358 0.526 17645
2963 1 8 . 1 1 20 20 ASN N N 35 117.779 117.779 118.389 -0.610 17645
2964 1 8 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.420 0.040 17645
2965 1 8 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.504 0.846 17645
2966 1 8 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.842 1.158 17645
2967 1 8 . 1 1 20 20 ASN H H 35 8.054 8.054 8.060 -0.006 17645
2968 1 8 . 1 1 21 21 GLU N N 36 120.312 120.312 120.730 -0.418 17645
2969 1 8 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.066 0.040 17645
2970 1 8 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.487 0.283 17645
2971 1 8 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.865 0.645 17645
2972 1 8 . 1 1 21 21 GLU H H 36 7.983 7.983 7.785 0.198 17645
2973 1 8 . 1 1 22 22 VAL N N 37 119.756 119.756 119.181 0.575 17645
2974 1 8 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.666 0.176 17645
2975 1 8 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.215 -0.105 17645
2976 1 8 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.702 0.978 17645
2977 1 8 . 1 1 22 22 VAL H H 37 7.670 7.670 7.743 -0.073 17645
2978 1 8 . 1 1 23 23 VAL N N 38 118.300 118.300 118.608 -0.308 17645
2979 1 8 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.748 -0.071 17645
2980 1 8 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.138 0.412 17645
2981 1 8 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.479 1.001 17645
2982 1 8 . 1 1 23 23 VAL H H 38 8.159 8.159 8.450 -0.291 17645
2983 1 8 . 1 1 24 24 SER N N 39 113.952 113.952 116.781 -2.829 17645
2984 1 8 . 1 1 24 24 SER HA H 39 4.170 4.170 4.167 0.003 17645
2985 1 8 . 1 1 24 24 SER CA C 39 61.880 61.880 61.611 0.269 17645
2986 1 8 . 1 1 24 24 SER CB C 39 63.740 63.740 62.798 0.942 17645
2987 1 8 . 1 1 24 24 SER H H 39 7.773 7.773 8.374 -0.601 17645
2988 1 8 . 1 1 25 25 ALA N N 40 122.572 122.572 123.262 -0.690 17645
2989 1 8 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.257 0.168 17645
2990 1 8 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.128 -1.248 17645
2991 1 8 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.391 2.059 17645
2992 1 8 . 1 1 25 25 ALA H H 40 7.436 7.436 7.924 -0.488 17645
2993 1 8 . 1 1 26 26 LEU N N 41 120.677 120.677 117.799 2.878 17645
2994 1 8 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.029 0.352 17645
2995 1 8 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.602 -0.742 17645
2996 1 8 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.211 0.979 17645
2997 1 8 . 1 1 26 26 LEU H H 41 7.499 7.499 7.543 -0.044 17645
2998 1 8 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.918 0.367 17645
2999 1 8 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.942 0.308 17645
3000 1 8 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.753 3.117 17645
3001 1 8 . 1 1 28 28 ASP N N 43 120.989 120.989 118.588 2.401 17645
3002 1 8 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.738 0.063 17645
3003 1 8 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.450 1.110 17645
3004 1 8 . 1 1 28 28 ASP CB C 43 43.440 43.440 42.949 0.491 17645
3005 1 8 . 1 1 28 28 ASP H H 43 8.513 8.513 7.845 0.668 17645
3006 1 8 . 1 1 29 29 GLY N N 44 108.379 108.379 114.359 -5.980 17645
3007 1 8 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.525 1.015 17645
3008 1 8 . 1 1 29 29 GLY H H 44 8.425 8.425 8.607 -0.182 17645
3009 1 8 . 1 1 30 30 LYS N N 45 119.932 119.932 119.948 -0.016 17645
3010 1 8 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.296 -0.217 17645
3011 1 8 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.784 1.736 17645
3012 1 8 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.326 0.744 17645
3013 1 8 . 1 1 30 30 LYS H H 45 8.269 8.269 8.427 -0.158 17645
3014 1 8 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.261 0.047 17645
3015 1 8 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.035 1.005 17645
3016 1 8 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.467 0.353 17645
3017 1 8 . 1 1 32 32 GLU N N 47 118.526 118.526 117.386 1.140 17645
3018 1 8 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.066 0.066 17645
3019 1 8 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.763 0.407 17645
3020 1 8 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.357 0.553 17645
3021 1 8 . 1 1 32 32 GLU H H 47 8.189 8.189 8.509 -0.320 17645
3022 1 8 . 1 1 33 33 VAL N N 48 120.183 120.183 119.604 0.579 17645
3023 1 8 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.613 0.299 17645
3024 1 8 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.088 0.212 17645
3025 1 8 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.177 1.183 17645
3026 1 8 . 1 1 33 33 VAL H H 48 7.744 7.744 7.400 0.344 17645
3027 1 8 . 1 1 34 34 ASN N N 49 119.700 119.700 118.092 1.608 17645
3028 1 8 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.426 0.024 17645
3029 1 8 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.997 1.053 17645
3030 1 8 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.005 0.645 17645
3031 1 8 . 1 1 34 34 ASN H H 49 8.582 8.582 8.754 -0.172 17645
3032 1 8 . 1 1 35 35 ARG N N 50 121.009 121.009 121.042 -0.033 17645
3033 1 8 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.071 0.066 17645
3034 1 8 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.617 0.152 17645
3035 1 8 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.239 0.531 17645
3036 1 8 . 1 1 35 35 ARG H H 50 7.848 7.848 7.983 -0.135 17645
3037 1 8 . 1 1 36 36 GLN N N 51 119.394 119.394 119.325 0.069 17645
3038 1 8 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.098 -0.035 17645
3039 1 8 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.969 1.041 17645
3040 1 8 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.873 0.897 17645
3041 1 8 . 1 1 36 36 GLN H H 51 7.685 7.685 7.770 -0.085 17645
3042 1 8 . 1 1 37 37 ILE N N 52 122.006 122.006 119.545 2.461 17645
3043 1 8 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.721 -0.267 17645
3044 1 8 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.542 0.758 17645
3045 1 8 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.398 1.502 17645
3046 1 8 . 1 1 37 37 ILE H H 52 8.293 8.293 8.889 -0.596 17645
3047 1 8 . 1 1 38 38 LYS N N 53 121.163 121.163 120.713 0.450 17645
3048 1 8 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.000 0.171 17645
3049 1 8 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.136 -1.086 17645
3050 1 8 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.283 -0.353 17645
3051 1 8 . 1 1 38 38 LYS H H 53 8.169 8.169 7.934 0.235 17645
3052 1 8 . 1 1 39 39 ASN N N 54 117.219 117.219 117.581 -0.362 17645
3053 1 8 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.524 -0.041 17645
3054 1 8 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.755 0.855 17645
3055 1 8 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.607 0.833 17645
3056 1 8 . 1 1 39 39 ASN H H 54 8.171 8.171 7.922 0.249 17645
3057 1 8 . 1 1 40 40 LEU N N 55 123.907 123.907 121.315 2.592 17645
3058 1 8 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.170 0.035 17645
3059 1 8 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.760 1.080 17645
3060 1 8 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.928 0.141 17645
3061 1 8 . 1 1 40 40 LEU H H 55 7.702 7.702 7.867 -0.165 17645
3062 1 8 . 1 1 41 41 GLU N N 56 121.779 121.779 120.269 1.510 17645
3063 1 8 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.027 -0.325 17645
3064 1 8 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.467 1.983 17645
3065 1 8 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.001 1.329 17645
3066 1 8 . 1 1 41 41 GLU H H 56 8.442 8.442 8.186 0.256 17645
3067 1 8 . 1 1 42 42 ILE N N 57 119.133 119.133 120.338 -1.205 17645
3068 1 8 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.723 0.160 17645
3069 1 8 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.080 0.470 17645
3070 1 8 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.707 1.243 17645
3071 1 8 . 1 1 42 42 ILE H H 57 8.531 8.531 7.994 0.537 17645
3072 1 8 . 1 1 43 43 SER N N 58 118.622 118.622 116.940 1.682 17645
3073 1 8 . 1 1 43 43 SER HA H 58 4.322 4.322 4.114 0.208 17645
3074 1 8 . 1 1 43 43 SER CA C 58 62.940 62.940 62.510 0.430 17645
3075 1 8 . 1 1 43 43 SER CB C 58 63.500 63.500 62.888 0.612 17645
3076 1 8 . 1 1 43 43 SER H H 58 8.027 8.027 7.635 0.392 17645
3077 1 8 . 1 1 44 44 ILE N N 59 126.416 126.416 122.520 3.896 17645
3078 1 8 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.658 -0.030 17645
3079 1 8 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.996 0.914 17645
3080 1 8 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.869 1.291 17645
3081 1 8 . 1 1 44 44 ILE H H 59 8.543 8.543 8.268 0.275 17645
3082 1 8 . 1 1 45 45 ASP N N 60 121.563 121.563 119.957 1.606 17645
3083 1 8 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.333 0.074 17645
3084 1 8 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.212 0.068 17645
3085 1 8 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.377 0.383 17645
3086 1 8 . 1 1 45 45 ASP H H 60 8.406 8.406 7.939 0.467 17645
3087 1 8 . 1 1 46 46 ALA N N 61 123.500 123.500 122.749 0.751 17645
3088 1 8 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.060 0.142 17645
3089 1 8 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.137 0.573 17645
3090 1 8 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.473 0.187 17645
3091 1 8 . 1 1 46 46 ALA H H 61 8.538 8.538 8.120 0.418 17645
3092 1 8 . 1 1 47 47 LEU N N 62 121.942 121.942 119.656 2.286 17645
3093 1 8 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.875 0.419 17645
3094 1 8 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.742 -0.082 17645
3095 1 8 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.801 -0.661 17645
3096 1 8 . 1 1 47 47 LEU H H 62 7.801 7.801 7.709 0.092 17645
3097 1 8 . 1 1 48 48 MET N N 63 118.068 118.068 118.698 -0.630 17645
3098 1 8 . 1 1 48 48 MET HA H 63 3.945 3.945 3.871 0.074 17645
3099 1 8 . 1 1 48 48 MET CA C 63 60.330 60.330 59.238 1.092 17645
3100 1 8 . 1 1 48 48 MET CB C 63 33.110 33.110 32.447 0.663 17645
3101 1 8 . 1 1 48 48 MET H H 63 8.261 8.261 7.782 0.479 17645
3102 1 8 . 1 1 49 49 ALA N N 64 120.428 120.428 118.279 2.149 17645
3103 1 8 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.075 0.026 17645
3104 1 8 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.841 0.929 17645
3105 1 8 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.229 0.541 17645
3106 1 8 . 1 1 49 49 ALA H H 64 8.045 8.045 8.045 -0.000 17645
3107 1 8 . 1 1 50 50 LYS N N 65 121.947 121.947 118.336 3.611 17645
3108 1 8 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.308 -0.269 17645
3109 1 8 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.646 1.874 17645
3110 1 8 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.033 0.647 17645
3111 1 8 . 1 1 50 50 LYS H H 65 8.063 8.063 7.843 0.220 17645
3112 1 8 . 1 1 51 51 ILE N N 66 121.189 121.189 118.701 2.488 17645
3113 1 8 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.953 -0.203 17645
3114 1 8 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.735 3.005 17645
3115 1 8 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.408 1.712 17645
3116 1 8 . 1 1 51 51 ILE H H 66 8.437 8.437 8.299 0.138 17645
3117 1 8 . 1 1 52 52 LYS N N 67 117.119 117.119 118.666 -1.547 17645
3118 1 8 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.334 -0.198 17645
3119 1 8 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.998 1.212 17645
3120 1 8 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.588 0.092 17645
3121 1 8 . 1 1 52 52 LYS H H 67 7.622 7.622 7.988 -0.366 17645
3122 1 8 . 1 1 53 53 SER N N 68 111.824 111.824 115.171 -3.347 17645
3123 1 8 . 1 1 53 53 SER HA H 68 4.602 4.602 4.611 -0.009 17645
3124 1 8 . 1 1 53 53 SER CA C 68 59.960 59.960 58.988 0.972 17645
3125 1 8 . 1 1 53 53 SER CB C 68 65.750 65.750 63.242 2.508 17645
3126 1 8 . 1 1 53 53 SER H H 68 7.750 7.750 7.832 -0.082 17645
3127 1 8 . 1 1 54 54 THR N N 69 115.916 115.916 111.281 4.635 17645
3128 1 8 . 1 1 54 54 THR HA H 69 4.596 4.596 4.342 0.254 17645
3129 1 8 . 1 1 54 54 THR CA C 69 62.460 62.460 61.858 0.602 17645
3130 1 8 . 1 1 54 54 THR CB C 69 71.650 71.650 70.408 1.242 17645
3131 1 8 . 1 1 54 54 THR H H 69 7.972 7.972 7.135 0.837 17645
3132 1 8 . 1 1 55 55 MET N N 70 121.343 121.343 122.970 -1.627 17645
3133 1 8 . 1 1 55 55 MET HA H 70 4.551 4.551 4.318 0.233 17645
3134 1 8 . 1 1 55 55 MET CA C 70 56.050 56.050 55.449 0.601 17645
3135 1 8 . 1 1 55 55 MET CB C 70 32.500 32.500 31.311 1.189 17645
3136 1 8 . 1 1 55 55 MET H H 70 8.306 8.306 8.767 -0.461 17645
3137 1 8 . 1 1 56 56 MET N N 71 123.196 123.196 122.344 0.852 17645
3138 1 8 . 1 1 56 56 MET HA H 71 4.706 4.706 4.323 0.383 17645
3139 1 8 . 1 1 56 56 MET CA C 71 55.860 55.860 54.338 1.522 17645
3140 1 8 . 1 1 56 56 MET CB C 71 37.620 37.620 32.595 5.025 17645
3141 1 8 . 1 1 56 56 MET H H 71 8.114 8.114 7.919 0.195 17645
3142 1 8 . 1 1 57 57 THR N N 72 113.158 113.158 119.657 -6.499 17645
3143 1 8 . 1 1 57 57 THR HA H 72 4.483 4.483 4.422 0.061 17645
3144 1 8 . 1 1 57 57 THR CA C 72 61.080 61.080 61.401 -0.321 17645
3145 1 8 . 1 1 57 57 THR CB C 72 71.670 71.670 69.642 2.028 17645
3146 1 8 . 1 1 57 57 THR H H 72 8.486 8.486 8.410 0.076 17645
3147 1 8 . 1 1 58 58 ARG N N 73 121.911 121.911 126.426 -4.515 17645
3148 1 8 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.910 -0.001 17645
3149 1 8 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.214 0.306 17645
3150 1 8 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.044 0.286 17645
3151 1 8 . 1 1 58 58 ARG H H 73 8.961 8.961 8.880 0.081 17645
3152 1 8 . 1 1 59 59 GLU N N 74 118.955 118.955 117.992 0.963 17645
3153 1 8 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.042 -0.010 17645
3154 1 8 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.195 0.695 17645
3155 1 8 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.053 0.907 17645
3156 1 8 . 1 1 59 59 GLU H H 74 8.833 8.833 8.761 0.072 17645
3157 1 8 . 1 1 60 60 GLN N N 75 121.077 121.077 118.396 2.681 17645
3158 1 8 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.137 -0.147 17645
3159 1 8 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.496 0.904 17645
3160 1 8 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.163 1.227 17645
3161 1 8 . 1 1 60 60 GLN H H 75 7.801 7.801 7.714 0.087 17645
3162 1 8 . 1 1 61 61 ILE N N 76 120.016 120.016 120.539 -0.523 17645
3163 1 8 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.851 -0.422 17645
3164 1 8 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.768 3.092 17645
3165 1 8 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.713 1.997 17645
3166 1 8 . 1 1 61 61 ILE H H 76 8.250 8.250 7.688 0.562 17645
3167 1 8 . 1 1 62 62 GLN N N 77 119.153 119.153 119.967 -0.814 17645
3168 1 8 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.951 -0.184 17645
3169 1 8 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.477 0.293 17645
3170 1 8 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.538 0.542 17645
3171 1 8 . 1 1 62 62 GLN H H 77 8.295 8.295 8.476 -0.181 17645
3172 1 8 . 1 1 63 63 LYS N N 78 118.200 118.200 118.698 -0.498 17645
3173 1 8 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.358 -0.204 17645
3174 1 8 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.076 1.074 17645
3175 1 8 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.181 1.129 17645
3176 1 8 . 1 1 63 63 LYS H H 78 7.839 7.839 7.818 0.021 17645
3177 1 8 . 1 1 64 64 GLU N N 79 120.133 120.133 119.619 0.514 17645
3178 1 8 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.026 0.116 17645
3179 1 8 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.425 0.905 17645
3180 1 8 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.479 1.131 17645
3181 1 8 . 1 1 64 64 GLU H H 79 7.899 7.899 8.100 -0.201 17645
3182 1 8 . 1 1 65 65 TYR N N 80 122.505 122.505 119.925 2.580 17645
3183 1 8 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.209 -0.267 17645
3184 1 8 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.865 0.894 17645
3185 1 8 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.376 1.094 17645
3186 1 8 . 1 1 65 65 TYR H H 80 9.023 9.023 8.298 0.725 17645
3187 1 8 . 1 1 66 66 ASP N N 81 120.497 120.497 119.396 1.101 17645
3188 1 8 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.309 -0.092 17645
3189 1 8 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.144 0.956 17645
3190 1 8 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.053 0.587 17645
3191 1 8 . 1 1 66 66 ASP H H 81 9.089 9.089 7.694 1.395 17645
3192 1 8 . 1 1 67 67 ALA N N 82 122.397 122.397 122.672 -0.275 17645
3193 1 8 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.021 0.166 17645
3194 1 8 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.173 0.657 17645
3195 1 8 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.488 0.431 17645
3196 1 8 . 1 1 67 67 ALA H H 82 7.636 7.636 8.262 -0.626 17645
3197 1 8 . 1 1 68 68 LEU N N 83 121.806 121.806 117.789 4.017 17645
3198 1 8 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.032 0.113 17645
3199 1 8 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.560 0.720 17645
3200 1 8 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.772 1.088 17645
3201 1 8 . 1 1 68 68 LEU H H 83 7.727 7.727 7.683 0.044 17645
3202 1 8 . 1 1 69 69 VAL N N 84 123.560 123.560 120.860 2.700 17645
3203 1 8 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.698 -0.393 17645
3204 1 8 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.500 1.540 17645
3205 1 8 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.367 0.823 17645
3206 1 8 . 1 1 69 69 VAL H H 84 8.560 8.560 7.775 0.785 17645
3207 1 8 . 1 1 70 70 LYS N N 85 121.398 121.398 120.985 0.413 17645
3208 1 8 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.070 0.022 17645
3209 1 8 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.027 1.223 17645
3210 1 8 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.068 0.692 17645
3211 1 8 . 1 1 70 70 LYS H H 85 7.956 7.956 8.417 -0.461 17645
3212 1 8 . 1 1 71 71 SER N N 86 114.825 114.825 115.419 -0.594 17645
3213 1 8 . 1 1 71 71 SER HA H 86 4.298 4.298 4.138 0.160 17645
3214 1 8 . 1 1 71 71 SER CA C 86 62.810 62.810 62.194 0.616 17645
3215 1 8 . 1 1 71 71 SER CB C 86 63.640 63.640 63.089 0.551 17645
3216 1 8 . 1 1 71 71 SER H H 86 8.284 8.284 7.869 0.415 17645
3217 1 8 . 1 1 72 72 SER N N 87 118.845 118.845 117.339 1.506 17645
3218 1 8 . 1 1 72 72 SER HA H 87 4.269 4.269 3.948 0.321 17645
3219 1 8 . 1 1 72 72 SER CA C 87 62.940 62.940 61.271 1.669 17645
3220 1 8 . 1 1 72 72 SER CB C 87 63.870 63.870 62.971 0.898 17645
3221 1 8 . 1 1 72 72 SER H H 87 8.421 8.421 8.382 0.039 17645
3222 1 8 . 1 1 73 73 GLU N N 88 124.809 124.809 122.300 2.509 17645
3223 1 8 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.913 0.139 17645
3224 1 8 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.361 0.869 17645
3225 1 8 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.513 0.717 17645
3226 1 8 . 1 1 73 73 GLU H H 88 8.376 8.376 7.820 0.556 17645
3227 1 8 . 1 1 74 74 ASP N N 89 122.193 122.193 119.877 2.316 17645
3228 1 8 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.385 0.026 17645
3229 1 8 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.448 0.462 17645
3230 1 8 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.630 -0.050 17645
3231 1 8 . 1 1 74 74 ASP H H 89 8.734 8.734 7.694 1.040 17645
3232 1 8 . 1 1 75 75 LEU N N 90 123.280 123.280 121.917 1.363 17645
3233 1 8 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.931 0.359 17645
3234 1 8 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.029 0.531 17645
3235 1 8 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.823 0.207 17645
3236 1 8 . 1 1 75 75 LEU H H 90 7.986 7.986 7.438 0.548 17645
3237 1 8 . 1 1 76 76 LEU N N 91 120.488 120.488 117.949 2.539 17645
3238 1 8 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.714 0.124 17645
3239 1 8 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.147 1.053 17645
3240 1 8 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.047 0.462 17645
3241 1 8 . 1 1 76 76 LEU H H 91 8.280 8.280 7.728 0.552 17645
3242 1 8 . 1 1 77 77 SER N N 92 113.817 113.817 114.785 -0.968 17645
3243 1 8 . 1 1 77 77 SER HA H 92 4.235 4.235 4.049 0.186 17645
3244 1 8 . 1 1 77 77 SER CA C 92 62.200 62.200 61.624 0.576 17645
3245 1 8 . 1 1 77 77 SER CB C 92 63.440 63.440 62.649 0.791 17645
3246 1 8 . 1 1 77 77 SER H H 92 8.219 8.219 8.089 0.130 17645
3247 1 8 . 1 1 78 78 ALA N N 93 124.902 124.902 124.507 0.395 17645
3248 1 8 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.076 0.090 17645
3249 1 8 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.707 1.153 17645
3250 1 8 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.249 0.511 17645
3251 1 8 . 1 1 78 78 ALA H H 93 7.949 7.949 7.902 0.047 17645
3252 1 8 . 1 1 79 79 LEU N N 94 120.602 120.602 119.147 1.455 17645
3253 1 8 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.759 0.308 17645
3254 1 8 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.996 0.474 17645
3255 1 8 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.611 0.999 17645
3256 1 8 . 1 1 79 79 LEU H H 94 8.587 8.587 8.087 0.500 17645
3257 1 8 . 1 1 80 80 GLN N N 95 119.525 119.525 118.091 1.434 17645
3258 1 8 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.977 0.071 17645
3259 1 8 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.286 0.304 17645
3260 1 8 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.193 0.647 17645
3261 1 8 . 1 1 80 80 GLN H H 95 8.561 8.561 8.370 0.191 17645
3262 1 8 . 1 1 81 81 LYS N N 96 121.075 121.075 118.284 2.791 17645
3263 1 8 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.300 -0.163 17645
3264 1 8 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.154 0.896 17645
3265 1 8 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.184 0.756 17645
3266 1 8 . 1 1 81 81 LYS H H 96 8.003 8.003 7.685 0.318 17645
3267 1 8 . 1 1 82 82 LYS N N 97 121.415 121.415 119.966 1.449 17645
3268 1 8 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.993 0.132 17645
3269 1 8 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.163 -0.193 17645
3270 1 8 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.383 0.737 17645
3271 1 8 . 1 1 82 82 LYS H H 97 7.903 7.903 7.349 0.554 17645
3272 1 8 . 1 1 83 83 LYS N N 98 121.081 121.081 118.951 2.130 17645
3273 1 8 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.945 0.037 17645
3274 1 8 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.119 0.891 17645
3275 1 8 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.988 1.132 17645
3276 1 8 . 1 1 83 83 LYS H H 98 8.202 8.202 7.879 0.323 17645
3277 1 8 . 1 1 84 84 GLN N N 99 119.576 119.576 117.402 2.174 17645
3278 1 8 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.013 0.111 17645
3279 1 8 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.040 1.770 17645
3280 1 8 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.104 0.856 17645
3281 1 8 . 1 1 84 84 GLN H H 99 8.125 8.125 7.979 0.146 17645
3282 1 8 . 1 1 85 85 GLN N N 100 120.009 120.009 118.849 1.160 17645
3283 1 8 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.104 0.017 17645
3284 1 8 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.797 1.792 17645
3285 1 8 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.500 -0.480 17645
3286 1 8 . 1 1 85 85 GLN H H 100 8.341 8.341 7.636 0.705 17645
3287 1 8 . 1 1 86 86 GLU N N 101 121.718 121.718 117.939 3.779 17645
3288 1 8 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.585 -0.450 17645
3289 1 8 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.418 5.012 17645
3290 1 8 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.966 0.174 17645
3291 1 8 . 1 1 86 86 GLU H H 101 8.275 8.275 7.723 0.552 17645
3292 1 8 . 1 1 87 87 GLU N N 102 121.412 121.412 123.561 -2.149 17645
3293 1 8 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.108 0.008 17645
3294 1 8 . 1 1 87 87 GLU CA C 102 59.960 59.960 58.116 1.844 17645
3295 1 8 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.804 0.486 17645
3296 1 8 . 1 1 87 87 GLU H H 102 8.330 8.330 8.906 -0.577 17645
3297 1 9 . 1 1 2 2 GLY N N 17 110.356 110.356 111.358 -1.002 17645
3298 1 9 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.594 0.016 17645
3299 1 9 . 1 1 2 2 GLY H H 17 8.065 8.065 8.491 -0.426 17645
3300 1 9 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.518 -0.125 17645
3301 1 9 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.910 1.760 17645
3302 1 9 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.607 0.093 17645
3303 1 9 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.686 1.044 17645
3304 1 9 . 1 1 5 5 SER HA H 20 4.192 4.192 4.474 -0.282 17645
3305 1 9 . 1 1 5 5 SER CA C 20 60.960 60.960 59.930 1.030 17645
3306 1 9 . 1 1 5 5 SER CB C 20 64.250 64.250 63.584 0.666 17645
3307 1 9 . 1 1 6 6 LEU N N 21 122.731 122.731 122.746 -0.015 17645
3308 1 9 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.066 0.054 17645
3309 1 9 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.534 0.186 17645
3310 1 9 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.833 1.137 17645
3311 1 9 . 1 1 6 6 LEU H H 21 8.052 8.052 8.079 -0.027 17645
3312 1 9 . 1 1 7 7 VAL N N 22 119.948 119.948 117.735 2.213 17645
3313 1 9 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.576 0.177 17645
3314 1 9 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.598 -1.248 17645
3315 1 9 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.972 0.628 17645
3316 1 9 . 1 1 7 7 VAL H H 22 7.676 7.676 7.965 -0.289 17645
3317 1 9 . 1 1 8 8 LYS N N 23 122.400 122.400 119.318 3.082 17645
3318 1 9 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.876 0.311 17645
3319 1 9 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.331 -0.501 17645
3320 1 9 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.005 0.555 17645
3321 1 9 . 1 1 8 8 LYS H H 23 7.830 7.830 7.527 0.303 17645
3322 1 9 . 1 1 9 9 VAL N N 24 121.205 121.205 118.706 2.499 17645
3323 1 9 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.879 -0.053 17645
3324 1 9 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.315 0.545 17645
3325 1 9 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.853 1.597 17645
3326 1 9 . 1 1 9 9 VAL H H 24 8.194 8.194 7.815 0.379 17645
3327 1 9 . 1 1 10 10 GLY N N 25 107.900 107.900 106.741 1.159 17645
3328 1 9 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.467 0.194 17645
3329 1 9 . 1 1 10 10 GLY H H 25 8.446 8.446 8.417 0.029 17645
3330 1 9 . 1 1 11 11 THR N N 26 116.800 116.800 119.763 -2.963 17645
3331 1 9 . 1 1 11 11 THR HA H 26 4.109 4.109 3.808 0.301 17645
3332 1 9 . 1 1 11 11 THR CA C 26 66.300 66.300 66.739 -0.439 17645
3333 1 9 . 1 1 11 11 THR CB C 26 69.690 69.690 68.543 1.147 17645
3334 1 9 . 1 1 11 11 THR H H 26 7.992 7.992 7.639 0.353 17645
3335 1 9 . 1 1 12 12 LEU N N 27 123.983 123.983 121.563 2.420 17645
3336 1 9 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.825 0.302 17645
3337 1 9 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.866 0.604 17645
3338 1 9 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.542 1.268 17645
3339 1 9 . 1 1 12 12 LEU H H 27 7.934 7.934 7.747 0.187 17645
3340 1 9 . 1 1 13 13 LYS N N 28 117.513 117.513 118.948 -1.435 17645
3341 1 9 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.826 0.077 17645
3342 1 9 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.836 0.314 17645
3343 1 9 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.012 0.718 17645
3344 1 9 . 1 1 13 13 LYS H H 28 7.824 7.824 7.744 0.080 17645
3345 1 9 . 1 1 14 14 LYS N N 29 119.275 119.275 119.240 0.035 17645
3346 1 9 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.009 0.142 17645
3347 1 9 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.228 0.232 17645
3348 1 9 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.091 0.659 17645
3349 1 9 . 1 1 14 14 LYS H H 29 7.685 7.685 7.686 -0.001 17645
3350 1 9 . 1 1 15 15 ARG N N 30 119.090 119.090 120.518 -1.428 17645
3351 1 9 . 1 1 15 15 ARG HA H 30 4.060 4.060 4.032 0.028 17645
3352 1 9 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.746 0.284 17645
3353 1 9 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.477 1.033 17645
3354 1 9 . 1 1 15 15 ARG H H 30 7.709 7.709 7.545 0.164 17645
3355 1 9 . 1 1 16 16 LEU N N 31 118.473 118.473 120.305 -1.832 17645
3356 1 9 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.597 0.380 17645
3357 1 9 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.114 -0.034 17645
3358 1 9 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.136 0.183 17645
3359 1 9 . 1 1 16 16 LEU H H 31 7.595 7.595 7.892 -0.297 17645
3360 1 9 . 1 1 17 17 ASP N N 32 120.020 120.020 119.444 0.576 17645
3361 1 9 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.278 0.161 17645
3362 1 9 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.895 0.085 17645
3363 1 9 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.943 -0.063 17645
3364 1 9 . 1 1 17 17 ASP H H 32 7.858 7.858 7.797 0.061 17645
3365 1 9 . 1 1 18 18 LYS N N 33 119.708 119.708 120.324 -0.616 17645
3366 1 9 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.120 0.078 17645
3367 1 9 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.646 -0.176 17645
3368 1 9 . 1 1 18 18 LYS CB C 33 32.190 32.190 32.005 0.185 17645
3369 1 9 . 1 1 18 18 LYS H H 33 7.564 7.564 7.845 -0.281 17645
3370 1 9 . 1 1 19 19 PHE N N 34 118.256 118.256 118.554 -0.298 17645
3371 1 9 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.216 0.035 17645
3372 1 9 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.019 0.691 17645
3373 1 9 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.005 0.744 17645
3374 1 9 . 1 1 19 19 PHE H H 34 7.884 7.884 8.322 -0.438 17645
3375 1 9 . 1 1 20 20 ASN N N 35 117.779 117.779 117.620 0.159 17645
3376 1 9 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.430 0.030 17645
3377 1 9 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.486 0.864 17645
3378 1 9 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.986 1.014 17645
3379 1 9 . 1 1 20 20 ASN H H 35 8.054 8.054 8.526 -0.472 17645
3380 1 9 . 1 1 21 21 GLU N N 36 120.312 120.312 121.099 -0.787 17645
3381 1 9 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.056 0.050 17645
3382 1 9 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.787 -0.017 17645
3383 1 9 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.728 0.782 17645
3384 1 9 . 1 1 21 21 GLU H H 36 7.983 7.983 7.752 0.231 17645
3385 1 9 . 1 1 22 22 VAL N N 37 119.756 119.756 118.902 0.854 17645
3386 1 9 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.769 0.073 17645
3387 1 9 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.727 0.383 17645
3388 1 9 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.197 1.483 17645
3389 1 9 . 1 1 22 22 VAL H H 37 7.670 7.670 7.862 -0.192 17645
3390 1 9 . 1 1 23 23 VAL N N 38 118.300 118.300 118.919 -0.619 17645
3391 1 9 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.679 -0.002 17645
3392 1 9 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.062 1.488 17645
3393 1 9 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.889 1.591 17645
3394 1 9 . 1 1 23 23 VAL H H 38 8.159 8.159 8.130 0.029 17645
3395 1 9 . 1 1 24 24 SER N N 39 113.952 113.952 116.290 -2.338 17645
3396 1 9 . 1 1 24 24 SER HA H 39 4.170 4.170 4.192 -0.022 17645
3397 1 9 . 1 1 24 24 SER CA C 39 61.880 61.880 61.188 0.692 17645
3398 1 9 . 1 1 24 24 SER CB C 39 63.740 63.740 63.182 0.558 17645
3399 1 9 . 1 1 24 24 SER H H 39 7.773 7.773 8.481 -0.708 17645
3400 1 9 . 1 1 25 25 ALA N N 40 122.572 122.572 122.378 0.194 17645
3401 1 9 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.238 0.187 17645
3402 1 9 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.677 -0.797 17645
3403 1 9 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.073 1.377 17645
3404 1 9 . 1 1 25 25 ALA H H 40 7.436 7.436 7.703 -0.267 17645
3405 1 9 . 1 1 26 26 LEU N N 41 120.677 120.677 118.039 2.638 17645
3406 1 9 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.144 0.237 17645
3407 1 9 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.121 -0.261 17645
3408 1 9 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.698 0.492 17645
3409 1 9 . 1 1 26 26 LEU H H 41 7.499 7.499 7.502 -0.003 17645
3410 1 9 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.895 0.390 17645
3411 1 9 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.817 0.433 17645
3412 1 9 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.887 2.982 17645
3413 1 9 . 1 1 28 28 ASP N N 43 120.989 120.989 118.373 2.616 17645
3414 1 9 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.754 0.047 17645
3415 1 9 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.379 1.181 17645
3416 1 9 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.182 2.258 17645
3417 1 9 . 1 1 28 28 ASP H H 43 8.513 8.513 7.763 0.750 17645
3418 1 9 . 1 1 29 29 GLY N N 44 108.379 108.379 112.818 -4.439 17645
3419 1 9 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.456 1.084 17645
3420 1 9 . 1 1 29 29 GLY H H 44 8.425 8.425 8.754 -0.329 17645
3421 1 9 . 1 1 30 30 LYS N N 45 119.932 119.932 120.386 -0.454 17645
3422 1 9 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.066 0.012 17645
3423 1 9 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.417 0.103 17645
3424 1 9 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.141 0.929 17645
3425 1 9 . 1 1 30 30 LYS H H 45 8.269 8.269 8.602 -0.333 17645
3426 1 9 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.291 0.017 17645
3427 1 9 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.186 0.854 17645
3428 1 9 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.071 0.749 17645
3429 1 9 . 1 1 32 32 GLU N N 47 118.526 118.526 118.217 0.309 17645
3430 1 9 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.065 0.068 17645
3431 1 9 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.708 0.462 17645
3432 1 9 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.289 0.621 17645
3433 1 9 . 1 1 32 32 GLU H H 47 8.189 8.189 8.557 -0.368 17645
3434 1 9 . 1 1 33 33 VAL N N 48 120.183 120.183 120.250 -0.067 17645
3435 1 9 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.588 0.324 17645
3436 1 9 . 1 1 33 33 VAL CA C 48 66.300 66.300 67.177 -0.877 17645
3437 1 9 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.557 0.803 17645
3438 1 9 . 1 1 33 33 VAL H H 48 7.744 7.744 8.268 -0.524 17645
3439 1 9 . 1 1 34 34 ASN N N 49 119.700 119.700 118.446 1.254 17645
3440 1 9 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.462 -0.012 17645
3441 1 9 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.235 0.815 17645
3442 1 9 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.275 0.375 17645
3443 1 9 . 1 1 34 34 ASN H H 49 8.582 8.582 8.683 -0.101 17645
3444 1 9 . 1 1 35 35 ARG N N 50 121.009 121.009 119.322 1.687 17645
3445 1 9 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.097 0.040 17645
3446 1 9 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.340 0.430 17645
3447 1 9 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.617 1.153 17645
3448 1 9 . 1 1 35 35 ARG H H 50 7.848 7.848 8.370 -0.522 17645
3449 1 9 . 1 1 36 36 GLN N N 51 119.394 119.394 120.033 -0.639 17645
3450 1 9 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.156 -0.093 17645
3451 1 9 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.733 1.277 17645
3452 1 9 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.089 0.681 17645
3453 1 9 . 1 1 36 36 GLN H H 51 7.685 7.685 7.673 0.012 17645
3454 1 9 . 1 1 37 37 ILE N N 52 122.006 122.006 120.169 1.837 17645
3455 1 9 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.707 -0.253 17645
3456 1 9 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.372 0.928 17645
3457 1 9 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.419 1.481 17645
3458 1 9 . 1 1 37 37 ILE H H 52 8.293 8.293 8.974 -0.681 17645
3459 1 9 . 1 1 38 38 LYS N N 53 121.163 121.163 120.506 0.657 17645
3460 1 9 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.027 0.144 17645
3461 1 9 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.272 -0.222 17645
3462 1 9 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.950 -0.020 17645
3463 1 9 . 1 1 38 38 LYS H H 53 8.169 8.169 7.817 0.352 17645
3464 1 9 . 1 1 39 39 ASN N N 54 117.219 117.219 117.991 -0.772 17645
3465 1 9 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.474 0.009 17645
3466 1 9 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.940 0.670 17645
3467 1 9 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.993 0.447 17645
3468 1 9 . 1 1 39 39 ASN H H 54 8.171 8.171 7.875 0.296 17645
3469 1 9 . 1 1 40 40 LEU N N 55 123.907 123.907 119.980 3.927 17645
3470 1 9 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.080 0.125 17645
3471 1 9 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.001 0.840 17645
3472 1 9 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.545 0.525 17645
3473 1 9 . 1 1 40 40 LEU H H 55 7.702 7.702 7.924 -0.222 17645
3474 1 9 . 1 1 41 41 GLU N N 56 121.779 121.779 120.444 1.335 17645
3475 1 9 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.020 -0.318 17645
3476 1 9 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.326 2.124 17645
3477 1 9 . 1 1 41 41 GLU CB C 56 30.330 30.330 28.943 1.387 17645
3478 1 9 . 1 1 41 41 GLU H H 56 8.442 8.442 8.103 0.339 17645
3479 1 9 . 1 1 42 42 ILE N N 57 119.133 119.133 120.550 -1.417 17645
3480 1 9 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.698 0.185 17645
3481 1 9 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.203 0.347 17645
3482 1 9 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.735 1.215 17645
3483 1 9 . 1 1 42 42 ILE H H 57 8.531 8.531 8.305 0.226 17645
3484 1 9 . 1 1 43 43 SER N N 58 118.622 118.622 116.737 1.885 17645
3485 1 9 . 1 1 43 43 SER HA H 58 4.322 4.322 4.126 0.196 17645
3486 1 9 . 1 1 43 43 SER CA C 58 62.940 62.940 62.489 0.451 17645
3487 1 9 . 1 1 43 43 SER CB C 58 63.500 63.500 62.980 0.520 17645
3488 1 9 . 1 1 43 43 SER H H 58 8.027 8.027 7.636 0.391 17645
3489 1 9 . 1 1 44 44 ILE N N 59 126.416 126.416 122.187 4.229 17645
3490 1 9 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.624 0.004 17645
3491 1 9 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.721 1.189 17645
3492 1 9 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.782 1.378 17645
3493 1 9 . 1 1 44 44 ILE H H 59 8.543 8.543 8.580 -0.037 17645
3494 1 9 . 1 1 45 45 ASP N N 60 121.563 121.563 119.898 1.665 17645
3495 1 9 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.317 0.090 17645
3496 1 9 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.215 0.065 17645
3497 1 9 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.347 0.413 17645
3498 1 9 . 1 1 45 45 ASP H H 60 8.406 8.406 8.103 0.303 17645
3499 1 9 . 1 1 46 46 ALA N N 61 123.500 123.500 122.613 0.887 17645
3500 1 9 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.044 0.158 17645
3501 1 9 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.077 0.633 17645
3502 1 9 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.450 0.210 17645
3503 1 9 . 1 1 46 46 ALA H H 61 8.538 8.538 7.943 0.595 17645
3504 1 9 . 1 1 47 47 LEU N N 62 121.942 121.942 119.674 2.268 17645
3505 1 9 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.844 0.450 17645
3506 1 9 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.640 0.020 17645
3507 1 9 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.770 -0.630 17645
3508 1 9 . 1 1 47 47 LEU H H 62 7.801 7.801 7.729 0.072 17645
3509 1 9 . 1 1 48 48 MET N N 63 118.068 118.068 119.217 -1.149 17645
3510 1 9 . 1 1 48 48 MET HA H 63 3.945 3.945 3.810 0.135 17645
3511 1 9 . 1 1 48 48 MET CA C 63 60.330 60.330 59.495 0.835 17645
3512 1 9 . 1 1 48 48 MET CB C 63 33.110 33.110 32.432 0.678 17645
3513 1 9 . 1 1 48 48 MET H H 63 8.261 8.261 7.796 0.465 17645
3514 1 9 . 1 1 49 49 ALA N N 64 120.428 120.428 118.229 2.199 17645
3515 1 9 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.023 0.078 17645
3516 1 9 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.675 1.095 17645
3517 1 9 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.333 0.437 17645
3518 1 9 . 1 1 49 49 ALA H H 64 8.045 8.045 7.983 0.062 17645
3519 1 9 . 1 1 50 50 LYS N N 65 121.947 121.947 118.168 3.779 17645
3520 1 9 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.149 -0.110 17645
3521 1 9 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.935 1.585 17645
3522 1 9 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.522 1.158 17645
3523 1 9 . 1 1 50 50 LYS H H 65 8.063 8.063 7.747 0.316 17645
3524 1 9 . 1 1 51 51 ILE N N 66 121.189 121.189 119.123 2.066 17645
3525 1 9 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.898 -0.148 17645
3526 1 9 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.113 2.627 17645
3527 1 9 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.154 1.966 17645
3528 1 9 . 1 1 51 51 ILE H H 66 8.437 8.437 8.402 0.035 17645
3529 1 9 . 1 1 52 52 LYS N N 67 117.119 117.119 118.924 -1.805 17645
3530 1 9 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.382 -0.246 17645
3531 1 9 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.278 1.932 17645
3532 1 9 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.179 0.500 17645
3533 1 9 . 1 1 52 52 LYS H H 67 7.622 7.622 7.836 -0.214 17645
3534 1 9 . 1 1 53 53 SER N N 68 111.824 111.824 113.589 -1.765 17645
3535 1 9 . 1 1 53 53 SER HA H 68 4.602 4.602 4.626 -0.024 17645
3536 1 9 . 1 1 53 53 SER CA C 68 59.960 59.960 58.199 1.761 17645
3537 1 9 . 1 1 53 53 SER CB C 68 65.750 65.750 63.700 2.050 17645
3538 1 9 . 1 1 53 53 SER H H 68 7.750 7.750 7.883 -0.133 17645
3539 1 9 . 1 1 54 54 THR N N 69 115.916 115.916 113.583 2.333 17645
3540 1 9 . 1 1 54 54 THR HA H 69 4.596 4.596 4.503 0.093 17645
3541 1 9 . 1 1 54 54 THR CA C 69 62.460 62.460 61.447 1.013 17645
3542 1 9 . 1 1 54 54 THR CB C 69 71.650 71.650 69.946 1.704 17645
3543 1 9 . 1 1 54 54 THR H H 69 7.972 7.972 7.301 0.671 17645
3544 1 9 . 1 1 55 55 MET N N 70 121.343 121.343 120.886 0.457 17645
3545 1 9 . 1 1 55 55 MET HA H 70 4.551 4.551 4.696 -0.145 17645
3546 1 9 . 1 1 55 55 MET CA C 70 56.050 56.050 54.500 1.550 17645
3547 1 9 . 1 1 55 55 MET CB C 70 32.500 32.500 33.559 -1.059 17645
3548 1 9 . 1 1 55 55 MET H H 70 8.306 8.306 8.389 -0.083 17645
3549 1 9 . 1 1 56 56 MET N N 71 123.196 123.196 120.738 2.458 17645
3550 1 9 . 1 1 56 56 MET HA H 71 4.706 4.706 4.341 0.365 17645
3551 1 9 . 1 1 56 56 MET CA C 71 55.860 55.860 56.283 -0.423 17645
3552 1 9 . 1 1 56 56 MET CB C 71 37.620 37.620 32.875 4.745 17645
3553 1 9 . 1 1 56 56 MET H H 71 8.114 8.114 7.615 0.499 17645
3554 1 9 . 1 1 57 57 THR N N 72 113.158 113.158 116.624 -3.466 17645
3555 1 9 . 1 1 57 57 THR HA H 72 4.483 4.483 4.472 0.011 17645
3556 1 9 . 1 1 57 57 THR CA C 72 61.080 61.080 62.408 -1.329 17645
3557 1 9 . 1 1 57 57 THR CB C 72 71.670 71.670 70.071 1.599 17645
3558 1 9 . 1 1 57 57 THR H H 72 8.486 8.486 8.204 0.282 17645
3559 1 9 . 1 1 58 58 ARG N N 73 121.911 121.911 124.994 -3.083 17645
3560 1 9 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.915 -0.006 17645
3561 1 9 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.014 0.506 17645
3562 1 9 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.058 0.272 17645
3563 1 9 . 1 1 58 58 ARG H H 73 8.961 8.961 8.904 0.057 17645
3564 1 9 . 1 1 59 59 GLU N N 74 118.955 118.955 118.270 0.685 17645
3565 1 9 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.982 0.050 17645
3566 1 9 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.934 0.956 17645
3567 1 9 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.069 0.891 17645
3568 1 9 . 1 1 59 59 GLU H H 74 8.833 8.833 8.734 0.099 17645
3569 1 9 . 1 1 60 60 GLN N N 75 121.077 121.077 118.336 2.741 17645
3570 1 9 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.029 -0.039 17645
3571 1 9 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.845 0.555 17645
3572 1 9 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.286 1.104 17645
3573 1 9 . 1 1 60 60 GLN H H 75 7.801 7.801 7.621 0.180 17645
3574 1 9 . 1 1 61 61 ILE N N 76 120.016 120.016 119.373 0.643 17645
3575 1 9 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.538 -0.109 17645
3576 1 9 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.197 3.663 17645
3577 1 9 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.618 2.092 17645
3578 1 9 . 1 1 61 61 ILE H H 76 8.250 8.250 7.274 0.976 17645
3579 1 9 . 1 1 62 62 GLN N N 77 119.153 119.153 120.225 -1.072 17645
3580 1 9 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.116 -0.349 17645
3581 1 9 . 1 1 62 62 GLN CA C 77 59.770 59.770 58.916 0.854 17645
3582 1 9 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.196 0.884 17645
3583 1 9 . 1 1 62 62 GLN H H 77 8.295 8.295 8.053 0.242 17645
3584 1 9 . 1 1 63 63 LYS N N 78 118.200 118.200 119.288 -1.088 17645
3585 1 9 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.009 0.145 17645
3586 1 9 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.317 0.833 17645
3587 1 9 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.170 1.140 17645
3588 1 9 . 1 1 63 63 LYS H H 78 7.839 7.839 7.753 0.086 17645
3589 1 9 . 1 1 64 64 GLU N N 79 120.133 120.133 119.211 0.922 17645
3590 1 9 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.971 0.171 17645
3591 1 9 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.558 0.772 17645
3592 1 9 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.322 1.288 17645
3593 1 9 . 1 1 64 64 GLU H H 79 7.899 7.899 7.768 0.131 17645
3594 1 9 . 1 1 65 65 TYR N N 80 122.505 122.505 118.505 4.000 17645
3595 1 9 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.258 -0.316 17645
3596 1 9 . 1 1 65 65 TYR CA C 80 62.760 62.760 60.376 2.384 17645
3597 1 9 . 1 1 65 65 TYR CB C 80 39.470 39.470 37.359 2.111 17645
3598 1 9 . 1 1 65 65 TYR H H 80 9.023 9.023 7.785 1.238 17645
3599 1 9 . 1 1 66 66 ASP N N 81 120.497 120.497 118.911 1.586 17645
3600 1 9 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.385 -0.168 17645
3601 1 9 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.605 0.495 17645
3602 1 9 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.036 0.604 17645
3603 1 9 . 1 1 66 66 ASP H H 81 9.089 9.089 7.576 1.513 17645
3604 1 9 . 1 1 67 67 ALA N N 82 122.397 122.397 122.552 -0.155 17645
3605 1 9 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.140 0.047 17645
3606 1 9 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.146 0.684 17645
3607 1 9 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.388 0.532 17645
3608 1 9 . 1 1 67 67 ALA H H 82 7.636 7.636 8.323 -0.687 17645
3609 1 9 . 1 1 68 68 LEU N N 83 121.806 121.806 118.255 3.551 17645
3610 1 9 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.114 0.031 17645
3611 1 9 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.556 0.724 17645
3612 1 9 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.773 1.087 17645
3613 1 9 . 1 1 68 68 LEU H H 83 7.727 7.727 7.889 -0.162 17645
3614 1 9 . 1 1 69 69 VAL N N 84 123.560 123.560 121.088 2.472 17645
3615 1 9 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.858 -0.553 17645
3616 1 9 . 1 1 69 69 VAL CA C 84 68.040 68.040 65.530 2.510 17645
3617 1 9 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.052 1.138 17645
3618 1 9 . 1 1 69 69 VAL H H 84 8.560 8.560 8.009 0.551 17645
3619 1 9 . 1 1 70 70 LYS N N 85 121.398 121.398 120.903 0.495 17645
3620 1 9 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.104 -0.012 17645
3621 1 9 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.073 1.177 17645
3622 1 9 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.075 0.685 17645
3623 1 9 . 1 1 70 70 LYS H H 85 7.956 7.956 8.217 -0.261 17645
3624 1 9 . 1 1 71 71 SER N N 86 114.825 114.825 115.029 -0.204 17645
3625 1 9 . 1 1 71 71 SER HA H 86 4.298 4.298 4.220 0.078 17645
3626 1 9 . 1 1 71 71 SER CA C 86 62.810 62.810 62.096 0.714 17645
3627 1 9 . 1 1 71 71 SER CB C 86 63.640 63.640 62.935 0.705 17645
3628 1 9 . 1 1 71 71 SER H H 86 8.284 8.284 7.985 0.299 17645
3629 1 9 . 1 1 72 72 SER N N 87 118.845 118.845 117.158 1.687 17645
3630 1 9 . 1 1 72 72 SER HA H 87 4.269 4.269 4.322 -0.053 17645
3631 1 9 . 1 1 72 72 SER CA C 87 62.940 62.940 61.713 1.227 17645
3632 1 9 . 1 1 72 72 SER CB C 87 63.870 63.870 62.940 0.930 17645
3633 1 9 . 1 1 72 72 SER H H 87 8.421 8.421 8.476 -0.055 17645
3634 1 9 . 1 1 73 73 GLU N N 88 124.809 124.809 121.636 3.173 17645
3635 1 9 . 1 1 73 73 GLU HA H 88 4.052 4.052 4.054 -0.002 17645
3636 1 9 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.379 0.851 17645
3637 1 9 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.197 1.033 17645
3638 1 9 . 1 1 73 73 GLU H H 88 8.376 8.376 7.899 0.477 17645
3639 1 9 . 1 1 74 74 ASP N N 89 122.193 122.193 120.031 2.162 17645
3640 1 9 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.461 -0.050 17645
3641 1 9 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.206 0.704 17645
3642 1 9 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.942 -0.362 17645
3643 1 9 . 1 1 74 74 ASP H H 89 8.734 8.734 7.759 0.975 17645
3644 1 9 . 1 1 75 75 LEU N N 90 123.280 123.280 121.972 1.308 17645
3645 1 9 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.051 0.239 17645
3646 1 9 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.117 0.443 17645
3647 1 9 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.146 -0.116 17645
3648 1 9 . 1 1 75 75 LEU H H 90 7.986 7.986 7.636 0.350 17645
3649 1 9 . 1 1 76 76 LEU N N 91 120.488 120.488 118.590 1.898 17645
3650 1 9 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.631 0.207 17645
3651 1 9 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.357 0.843 17645
3652 1 9 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.040 0.470 17645
3653 1 9 . 1 1 76 76 LEU H H 91 8.280 8.280 7.884 0.396 17645
3654 1 9 . 1 1 77 77 SER N N 92 113.817 113.817 115.228 -1.411 17645
3655 1 9 . 1 1 77 77 SER HA H 92 4.235 4.235 3.997 0.238 17645
3656 1 9 . 1 1 77 77 SER CA C 92 62.200 62.200 61.938 0.262 17645
3657 1 9 . 1 1 77 77 SER CB C 92 63.440 63.440 62.806 0.634 17645
3658 1 9 . 1 1 77 77 SER H H 92 8.219 8.219 7.960 0.259 17645
3659 1 9 . 1 1 78 78 ALA N N 93 124.902 124.902 124.101 0.801 17645
3660 1 9 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.041 0.125 17645
3661 1 9 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.717 1.143 17645
3662 1 9 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.576 0.183 17645
3663 1 9 . 1 1 78 78 ALA H H 93 7.949 7.949 7.931 0.018 17645
3664 1 9 . 1 1 79 79 LEU N N 94 120.602 120.602 120.654 -0.052 17645
3665 1 9 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.913 0.154 17645
3666 1 9 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.282 0.188 17645
3667 1 9 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.712 0.898 17645
3668 1 9 . 1 1 79 79 LEU H H 94 8.587 8.587 8.105 0.482 17645
3669 1 9 . 1 1 80 80 GLN N N 95 119.525 119.525 117.857 1.668 17645
3670 1 9 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.882 0.166 17645
3671 1 9 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.082 0.508 17645
3672 1 9 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.073 0.767 17645
3673 1 9 . 1 1 80 80 GLN H H 95 8.561 8.561 8.537 0.024 17645
3674 1 9 . 1 1 81 81 LYS N N 96 121.075 121.075 117.847 3.228 17645
3675 1 9 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.984 0.153 17645
3676 1 9 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.258 0.792 17645
3677 1 9 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.810 1.130 17645
3678 1 9 . 1 1 81 81 LYS H H 96 8.003 8.003 7.902 0.101 17645
3679 1 9 . 1 1 82 82 LYS N N 97 121.415 121.415 120.976 0.439 17645
3680 1 9 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.971 0.154 17645
3681 1 9 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.017 -0.047 17645
3682 1 9 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.438 0.682 17645
3683 1 9 . 1 1 82 82 LYS H H 97 7.903 7.903 7.765 0.138 17645
3684 1 9 . 1 1 83 83 LYS N N 98 121.081 121.081 118.807 2.274 17645
3685 1 9 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.050 -0.068 17645
3686 1 9 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.959 1.051 17645
3687 1 9 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.893 1.227 17645
3688 1 9 . 1 1 83 83 LYS H H 98 8.202 8.202 8.188 0.014 17645
3689 1 9 . 1 1 84 84 GLN N N 99 119.576 119.576 117.481 2.095 17645
3690 1 9 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.104 0.020 17645
3691 1 9 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.014 1.796 17645
3692 1 9 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.339 0.621 17645
3693 1 9 . 1 1 84 84 GLN H H 99 8.125 8.125 7.958 0.167 17645
3694 1 9 . 1 1 85 85 GLN N N 100 120.009 120.009 118.167 1.842 17645
3695 1 9 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.206 -0.085 17645
3696 1 9 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.170 1.420 17645
3697 1 9 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.620 -0.600 17645
3698 1 9 . 1 1 85 85 GLN H H 100 8.341 8.341 7.504 0.837 17645
3699 1 9 . 1 1 86 86 GLU N N 101 121.718 121.718 119.109 2.609 17645
3700 1 9 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.180 -0.045 17645
3701 1 9 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.326 3.104 17645
3702 1 9 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.995 2.145 17645
3703 1 9 . 1 1 86 86 GLU H H 101 8.275 8.275 8.151 0.124 17645
3704 1 9 . 1 1 87 87 GLU N N 102 121.412 121.412 120.528 0.884 17645
3705 1 9 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.496 -0.380 17645
3706 1 9 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.846 3.114 17645
3707 1 9 . 1 1 87 87 GLU CB C 102 30.290 30.290 32.239 -1.949 17645
3708 1 9 . 1 1 87 87 GLU H H 102 8.330 8.330 8.431 -0.101 17645
3709 1 10 . 1 1 2 2 GLY N N 17 110.356 110.356 111.712 -1.356 17645
3710 1 10 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.538 1.072 17645
3711 1 10 . 1 1 2 2 GLY H H 17 8.065 8.065 8.373 -0.308 17645
3712 1 10 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.351 0.042 17645
3713 1 10 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.605 2.066 17645
3714 1 10 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.924 1.776 17645
3715 1 10 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.279 1.451 17645
3716 1 10 . 1 1 5 5 SER HA H 20 4.192 4.192 4.576 -0.384 17645
3717 1 10 . 1 1 5 5 SER CA C 20 60.960 60.960 58.424 2.536 17645
3718 1 10 . 1 1 5 5 SER CB C 20 64.250 64.250 63.658 0.592 17645
3719 1 10 . 1 1 6 6 LEU N N 21 122.731 122.731 123.749 -1.018 17645
3720 1 10 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.062 0.058 17645
3721 1 10 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.079 -0.359 17645
3722 1 10 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.830 1.141 17645
3723 1 10 . 1 1 6 6 LEU H H 21 8.052 8.052 8.215 -0.163 17645
3724 1 10 . 1 1 7 7 VAL N N 22 119.948 119.948 118.673 1.275 17645
3725 1 10 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.710 0.043 17645
3726 1 10 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.042 -0.692 17645
3727 1 10 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.452 1.148 17645
3728 1 10 . 1 1 7 7 VAL H H 22 7.676 7.676 7.971 -0.295 17645
3729 1 10 . 1 1 8 8 LYS N N 23 122.400 122.400 119.720 2.680 17645
3730 1 10 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.992 0.195 17645
3731 1 10 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.023 -0.193 17645
3732 1 10 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.891 0.669 17645
3733 1 10 . 1 1 8 8 LYS H H 23 7.830 7.830 7.413 0.417 17645
3734 1 10 . 1 1 9 9 VAL N N 24 121.205 121.205 118.183 3.022 17645
3735 1 10 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.832 -0.006 17645
3736 1 10 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.048 -0.188 17645
3737 1 10 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.088 1.362 17645
3738 1 10 . 1 1 9 9 VAL H H 24 8.194 8.194 8.204 -0.010 17645
3739 1 10 . 1 1 10 10 GLY N N 25 107.900 107.900 106.932 0.968 17645
3740 1 10 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.587 0.073 17645
3741 1 10 . 1 1 10 10 GLY H H 25 8.446 8.446 8.499 -0.053 17645
3742 1 10 . 1 1 11 11 THR N N 26 116.800 116.800 119.086 -2.286 17645
3743 1 10 . 1 1 11 11 THR HA H 26 4.109 4.109 4.001 0.108 17645
3744 1 10 . 1 1 11 11 THR CA C 26 66.300 66.300 66.244 0.056 17645
3745 1 10 . 1 1 11 11 THR CB C 26 69.690 69.690 68.405 1.285 17645
3746 1 10 . 1 1 11 11 THR H H 26 7.992 7.992 7.908 0.084 17645
3747 1 10 . 1 1 12 12 LEU N N 27 123.983 123.983 123.113 0.870 17645
3748 1 10 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.062 0.065 17645
3749 1 10 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.080 0.390 17645
3750 1 10 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.679 1.131 17645
3751 1 10 . 1 1 12 12 LEU H H 27 7.934 7.934 7.921 0.013 17645
3752 1 10 . 1 1 13 13 LYS N N 28 117.513 117.513 118.925 -1.412 17645
3753 1 10 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.879 0.024 17645
3754 1 10 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.607 0.543 17645
3755 1 10 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.020 0.710 17645
3756 1 10 . 1 1 13 13 LYS H H 28 7.824 7.824 7.819 0.005 17645
3757 1 10 . 1 1 14 14 LYS N N 29 119.275 119.275 118.566 0.709 17645
3758 1 10 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.038 0.113 17645
3759 1 10 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.271 0.189 17645
3760 1 10 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.049 0.701 17645
3761 1 10 . 1 1 14 14 LYS H H 29 7.685 7.685 7.694 -0.009 17645
3762 1 10 . 1 1 15 15 ARG N N 30 119.090 119.090 120.035 -0.945 17645
3763 1 10 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.795 0.265 17645
3764 1 10 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.105 -0.076 17645
3765 1 10 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.723 0.787 17645
3766 1 10 . 1 1 15 15 ARG H H 30 7.709 7.709 7.340 0.369 17645
3767 1 10 . 1 1 16 16 LEU N N 31 118.473 118.473 120.560 -2.087 17645
3768 1 10 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.260 -0.283 17645
3769 1 10 . 1 1 16 16 LEU CA C 31 58.080 58.080 59.071 -0.991 17645
3770 1 10 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.984 -0.664 17645
3771 1 10 . 1 1 16 16 LEU H H 31 7.595 7.595 8.228 -0.633 17645
3772 1 10 . 1 1 17 17 ASP N N 32 120.020 120.020 119.188 0.832 17645
3773 1 10 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.277 0.162 17645
3774 1 10 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.070 -0.090 17645
3775 1 10 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.835 0.045 17645
3776 1 10 . 1 1 17 17 ASP H H 32 7.858 7.858 7.763 0.095 17645
3777 1 10 . 1 1 18 18 LYS N N 33 119.708 119.708 120.065 -0.357 17645
3778 1 10 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.966 0.232 17645
3779 1 10 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.850 -0.380 17645
3780 1 10 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.502 0.688 17645
3781 1 10 . 1 1 18 18 LYS H H 33 7.564 7.564 7.659 -0.095 17645
3782 1 10 . 1 1 19 19 PHE N N 34 118.256 118.256 119.042 -0.786 17645
3783 1 10 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.242 0.009 17645
3784 1 10 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.332 0.378 17645
3785 1 10 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.029 0.721 17645
3786 1 10 . 1 1 19 19 PHE H H 34 7.884 7.884 7.642 0.242 17645
3787 1 10 . 1 1 20 20 ASN N N 35 117.779 117.779 118.131 -0.352 17645
3788 1 10 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.436 0.024 17645
3789 1 10 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.900 0.450 17645
3790 1 10 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.148 0.852 17645
3791 1 10 . 1 1 20 20 ASN H H 35 8.054 8.054 8.034 0.020 17645
3792 1 10 . 1 1 21 21 GLU N N 36 120.312 120.312 120.902 -0.590 17645
3793 1 10 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.057 0.049 17645
3794 1 10 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.900 -0.130 17645
3795 1 10 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.826 0.684 17645
3796 1 10 . 1 1 21 21 GLU H H 36 7.983 7.983 7.733 0.250 17645
3797 1 10 . 1 1 22 22 VAL N N 37 119.756 119.756 119.568 0.188 17645
3798 1 10 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.724 0.118 17645
3799 1 10 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.366 -0.256 17645
3800 1 10 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.730 0.950 17645
3801 1 10 . 1 1 22 22 VAL H H 37 7.670 7.670 7.792 -0.122 17645
3802 1 10 . 1 1 23 23 VAL N N 38 118.300 118.300 118.275 0.025 17645
3803 1 10 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.667 0.010 17645
3804 1 10 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.955 0.595 17645
3805 1 10 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.213 1.267 17645
3806 1 10 . 1 1 23 23 VAL H H 38 8.159 8.159 8.027 0.132 17645
3807 1 10 . 1 1 24 24 SER N N 39 113.952 113.952 117.042 -3.090 17645
3808 1 10 . 1 1 24 24 SER HA H 39 4.170 4.170 4.137 0.033 17645
3809 1 10 . 1 1 24 24 SER CA C 39 61.880 61.880 61.702 0.179 17645
3810 1 10 . 1 1 24 24 SER CB C 39 63.740 63.740 62.954 0.786 17645
3811 1 10 . 1 1 24 24 SER H H 39 7.773 7.773 8.498 -0.725 17645
3812 1 10 . 1 1 25 25 ALA N N 40 122.572 122.572 123.150 -0.578 17645
3813 1 10 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.156 0.269 17645
3814 1 10 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.383 -1.503 17645
3815 1 10 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.422 2.028 17645
3816 1 10 . 1 1 25 25 ALA H H 40 7.436 7.436 7.772 -0.336 17645
3817 1 10 . 1 1 26 26 LEU N N 41 120.677 120.677 115.419 5.258 17645
3818 1 10 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.129 0.252 17645
3819 1 10 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.523 0.337 17645
3820 1 10 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.450 0.740 17645
3821 1 10 . 1 1 26 26 LEU H H 41 7.499 7.499 7.594 -0.095 17645
3822 1 10 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.056 0.229 17645
3823 1 10 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.356 0.894 17645
3824 1 10 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.661 3.209 17645
3825 1 10 . 1 1 28 28 ASP N N 43 120.989 120.989 118.920 2.069 17645
3826 1 10 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.756 0.045 17645
3827 1 10 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.316 1.244 17645
3828 1 10 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.575 -0.135 17645
3829 1 10 . 1 1 28 28 ASP H H 43 8.513 8.513 7.793 0.720 17645
3830 1 10 . 1 1 29 29 GLY N N 44 108.379 108.379 110.369 -1.990 17645
3831 1 10 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.026 0.514 17645
3832 1 10 . 1 1 29 29 GLY H H 44 8.425 8.425 8.551 -0.126 17645
3833 1 10 . 1 1 30 30 LYS N N 45 119.932 119.932 120.143 -0.211 17645
3834 1 10 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.129 -0.050 17645
3835 1 10 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.925 0.595 17645
3836 1 10 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.296 0.774 17645
3837 1 10 . 1 1 30 30 LYS H H 45 8.269 8.269 8.483 -0.214 17645
3838 1 10 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.300 0.008 17645
3839 1 10 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.152 0.888 17645
3840 1 10 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.249 0.571 17645
3841 1 10 . 1 1 32 32 GLU N N 47 118.526 118.526 118.355 0.171 17645
3842 1 10 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.051 0.082 17645
3843 1 10 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.737 0.433 17645
3844 1 10 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.335 0.575 17645
3845 1 10 . 1 1 32 32 GLU H H 47 8.189 8.189 8.480 -0.291 17645
3846 1 10 . 1 1 33 33 VAL N N 48 120.183 120.183 119.718 0.465 17645
3847 1 10 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.610 0.302 17645
3848 1 10 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.412 -0.112 17645
3849 1 10 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.220 1.140 17645
3850 1 10 . 1 1 33 33 VAL H H 48 7.744 7.744 8.132 -0.388 17645
3851 1 10 . 1 1 34 34 ASN N N 49 119.700 119.700 118.495 1.205 17645
3852 1 10 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.499 -0.049 17645
3853 1 10 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.003 1.047 17645
3854 1 10 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.303 0.347 17645
3855 1 10 . 1 1 34 34 ASN H H 49 8.582 8.582 8.641 -0.059 17645
3856 1 10 . 1 1 35 35 ARG N N 50 121.009 121.009 119.547 1.462 17645
3857 1 10 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.089 0.048 17645
3858 1 10 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.348 0.422 17645
3859 1 10 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.536 1.234 17645
3860 1 10 . 1 1 35 35 ARG H H 50 7.848 7.848 8.383 -0.535 17645
3861 1 10 . 1 1 36 36 GLN N N 51 119.394 119.394 120.025 -0.631 17645
3862 1 10 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.127 -0.064 17645
3863 1 10 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.691 1.319 17645
3864 1 10 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.056 0.714 17645
3865 1 10 . 1 1 36 36 GLN H H 51 7.685 7.685 7.711 -0.026 17645
3866 1 10 . 1 1 37 37 ILE N N 52 122.006 122.006 119.747 2.259 17645
3867 1 10 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.661 -0.207 17645
3868 1 10 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.101 1.199 17645
3869 1 10 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.528 1.372 17645
3870 1 10 . 1 1 37 37 ILE H H 52 8.293 8.293 8.837 -0.544 17645
3871 1 10 . 1 1 38 38 LYS N N 53 121.163 121.163 121.057 0.106 17645
3872 1 10 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.992 0.179 17645
3873 1 10 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.868 -0.818 17645
3874 1 10 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.312 -0.382 17645
3875 1 10 . 1 1 38 38 LYS H H 53 8.169 8.169 7.879 0.290 17645
3876 1 10 . 1 1 39 39 ASN N N 54 117.219 117.219 118.280 -1.061 17645
3877 1 10 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.413 0.070 17645
3878 1 10 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.016 0.595 17645
3879 1 10 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.048 0.392 17645
3880 1 10 . 1 1 39 39 ASN H H 54 8.171 8.171 7.858 0.313 17645
3881 1 10 . 1 1 40 40 LEU N N 55 123.907 123.907 120.066 3.841 17645
3882 1 10 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.158 0.047 17645
3883 1 10 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.609 1.231 17645
3884 1 10 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.786 0.284 17645
3885 1 10 . 1 1 40 40 LEU H H 55 7.702 7.702 7.877 -0.175 17645
3886 1 10 . 1 1 41 41 GLU N N 56 121.779 121.779 120.098 1.681 17645
3887 1 10 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.014 -0.312 17645
3888 1 10 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.411 2.039 17645
3889 1 10 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.082 1.248 17645
3890 1 10 . 1 1 41 41 GLU H H 56 8.442 8.442 8.122 0.320 17645
3891 1 10 . 1 1 42 42 ILE N N 57 119.133 119.133 120.583 -1.450 17645
3892 1 10 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.706 0.177 17645
3893 1 10 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.083 0.467 17645
3894 1 10 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.751 1.199 17645
3895 1 10 . 1 1 42 42 ILE H H 57 8.531 8.531 8.085 0.446 17645
3896 1 10 . 1 1 43 43 SER N N 58 118.622 118.622 116.760 1.862 17645
3897 1 10 . 1 1 43 43 SER HA H 58 4.322 4.322 4.126 0.196 17645
3898 1 10 . 1 1 43 43 SER CA C 58 62.940 62.940 62.074 0.866 17645
3899 1 10 . 1 1 43 43 SER CB C 58 63.500 63.500 62.579 0.921 17645
3900 1 10 . 1 1 43 43 SER H H 58 8.027 8.027 7.732 0.295 17645
3901 1 10 . 1 1 44 44 ILE N N 59 126.416 126.416 122.762 3.654 17645
3902 1 10 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.633 -0.005 17645
3903 1 10 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.674 1.236 17645
3904 1 10 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.701 1.459 17645
3905 1 10 . 1 1 44 44 ILE H H 59 8.543 8.543 8.408 0.135 17645
3906 1 10 . 1 1 45 45 ASP N N 60 121.563 121.563 119.872 1.691 17645
3907 1 10 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.318 0.089 17645
3908 1 10 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.057 0.223 17645
3909 1 10 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.388 0.372 17645
3910 1 10 . 1 1 45 45 ASP H H 60 8.406 8.406 8.027 0.379 17645
3911 1 10 . 1 1 46 46 ALA N N 61 123.500 123.500 122.460 1.040 17645
3912 1 10 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.052 0.150 17645
3913 1 10 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.109 0.601 17645
3914 1 10 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.477 0.182 17645
3915 1 10 . 1 1 46 46 ALA H H 61 8.538 8.538 8.059 0.479 17645
3916 1 10 . 1 1 47 47 LEU N N 62 121.942 121.942 119.281 2.661 17645
3917 1 10 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.842 0.452 17645
3918 1 10 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.642 0.018 17645
3919 1 10 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.750 -0.610 17645
3920 1 10 . 1 1 47 47 LEU H H 62 7.801 7.801 7.718 0.083 17645
3921 1 10 . 1 1 48 48 MET N N 63 118.068 118.068 117.485 0.583 17645
3922 1 10 . 1 1 48 48 MET HA H 63 3.945 3.945 3.937 0.008 17645
3923 1 10 . 1 1 48 48 MET CA C 63 60.330 60.330 58.373 1.957 17645
3924 1 10 . 1 1 48 48 MET CB C 63 33.110 33.110 31.067 2.043 17645
3925 1 10 . 1 1 48 48 MET H H 63 8.261 8.261 7.782 0.479 17645
3926 1 10 . 1 1 49 49 ALA N N 64 120.428 120.428 119.237 1.191 17645
3927 1 10 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.038 0.063 17645
3928 1 10 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.026 0.744 17645
3929 1 10 . 1 1 49 49 ALA CB C 64 18.770 18.770 17.964 0.806 17645
3930 1 10 . 1 1 49 49 ALA H H 64 8.045 8.045 8.008 0.037 17645
3931 1 10 . 1 1 50 50 LYS N N 65 121.947 121.947 118.387 3.560 17645
3932 1 10 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.321 -0.282 17645
3933 1 10 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.634 1.886 17645
3934 1 10 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.023 0.657 17645
3935 1 10 . 1 1 50 50 LYS H H 65 8.063 8.063 7.814 0.249 17645
3936 1 10 . 1 1 51 51 ILE N N 66 121.189 121.189 119.010 2.179 17645
3937 1 10 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.954 -0.204 17645
3938 1 10 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.818 2.922 17645
3939 1 10 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.383 1.737 17645
3940 1 10 . 1 1 51 51 ILE H H 66 8.437 8.437 8.339 0.098 17645
3941 1 10 . 1 1 52 52 LYS N N 67 117.119 117.119 118.569 -1.450 17645
3942 1 10 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.345 -0.209 17645
3943 1 10 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.804 1.406 17645
3944 1 10 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.048 0.632 17645
3945 1 10 . 1 1 52 52 LYS H H 67 7.622 7.622 7.958 -0.336 17645
3946 1 10 . 1 1 53 53 SER N N 68 111.824 111.824 114.666 -2.842 17645
3947 1 10 . 1 1 53 53 SER HA H 68 4.602 4.602 4.525 0.077 17645
3948 1 10 . 1 1 53 53 SER CA C 68 59.960 59.960 58.529 1.431 17645
3949 1 10 . 1 1 53 53 SER CB C 68 65.750 65.750 62.940 2.810 17645
3950 1 10 . 1 1 53 53 SER H H 68 7.750 7.750 7.761 -0.011 17645
3951 1 10 . 1 1 54 54 THR N N 69 115.916 115.916 111.585 4.331 17645
3952 1 10 . 1 1 54 54 THR HA H 69 4.596 4.596 4.314 0.282 17645
3953 1 10 . 1 1 54 54 THR CA C 69 62.460 62.460 61.728 0.732 17645
3954 1 10 . 1 1 54 54 THR CB C 69 71.650 71.650 69.586 2.064 17645
3955 1 10 . 1 1 54 54 THR H H 69 7.972 7.972 7.180 0.792 17645
3956 1 10 . 1 1 55 55 MET N N 70 121.343 121.343 122.711 -1.368 17645
3957 1 10 . 1 1 55 55 MET HA H 70 4.551 4.551 4.369 0.182 17645
3958 1 10 . 1 1 55 55 MET CA C 70 56.050 56.050 54.955 1.095 17645
3959 1 10 . 1 1 55 55 MET CB C 70 32.500 32.500 31.240 1.260 17645
3960 1 10 . 1 1 55 55 MET H H 70 8.306 8.306 8.692 -0.386 17645
3961 1 10 . 1 1 56 56 MET N N 71 123.196 123.196 122.509 0.687 17645
3962 1 10 . 1 1 56 56 MET HA H 71 4.706 4.706 4.361 0.345 17645
3963 1 10 . 1 1 56 56 MET CA C 71 55.860 55.860 55.087 0.773 17645
3964 1 10 . 1 1 56 56 MET CB C 71 37.620 37.620 32.432 5.188 17645
3965 1 10 . 1 1 56 56 MET H H 71 8.114 8.114 7.926 0.188 17645
3966 1 10 . 1 1 57 57 THR N N 72 113.158 113.158 120.007 -6.849 17645
3967 1 10 . 1 1 57 57 THR HA H 72 4.483 4.483 4.387 0.096 17645
3968 1 10 . 1 1 57 57 THR CA C 72 61.080 61.080 62.659 -1.579 17645
3969 1 10 . 1 1 57 57 THR CB C 72 71.670 71.670 69.480 2.190 17645
3970 1 10 . 1 1 57 57 THR H H 72 8.486 8.486 8.338 0.148 17645
3971 1 10 . 1 1 58 58 ARG N N 73 121.911 121.911 127.176 -5.265 17645
3972 1 10 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.936 -0.027 17645
3973 1 10 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.293 1.227 17645
3974 1 10 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.525 0.805 17645
3975 1 10 . 1 1 58 58 ARG H H 73 8.961 8.961 8.784 0.177 17645
3976 1 10 . 1 1 59 59 GLU N N 74 118.955 118.955 119.627 -0.672 17645
3977 1 10 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.041 -0.009 17645
3978 1 10 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.892 0.999 17645
3979 1 10 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.072 0.888 17645
3980 1 10 . 1 1 59 59 GLU H H 74 8.833 8.833 8.719 0.114 17645
3981 1 10 . 1 1 60 60 GLN N N 75 121.077 121.077 118.691 2.386 17645
3982 1 10 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.127 -0.137 17645
3983 1 10 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.522 0.878 17645
3984 1 10 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.371 1.019 17645
3985 1 10 . 1 1 60 60 GLN H H 75 7.801 7.801 7.611 0.190 17645
3986 1 10 . 1 1 61 61 ILE N N 76 120.016 120.016 120.070 -0.054 17645
3987 1 10 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.854 -0.425 17645
3988 1 10 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.972 2.888 17645
3989 1 10 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.790 1.920 17645
3990 1 10 . 1 1 61 61 ILE H H 76 8.250 8.250 7.660 0.590 17645
3991 1 10 . 1 1 62 62 GLN N N 77 119.153 119.153 119.755 -0.602 17645
3992 1 10 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.014 -0.247 17645
3993 1 10 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.199 0.571 17645
3994 1 10 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.365 0.715 17645
3995 1 10 . 1 1 62 62 GLN H H 77 8.295 8.295 7.939 0.356 17645
3996 1 10 . 1 1 63 63 LYS N N 78 118.200 118.200 120.744 -2.544 17645
3997 1 10 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.397 -0.243 17645
3998 1 10 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.946 1.204 17645
3999 1 10 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.310 1.000 17645
4000 1 10 . 1 1 63 63 LYS H H 78 7.839 7.839 7.861 -0.022 17645
4001 1 10 . 1 1 64 64 GLU N N 79 120.133 120.133 119.869 0.264 17645
4002 1 10 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.000 0.142 17645
4003 1 10 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.457 0.873 17645
4004 1 10 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.713 0.897 17645
4005 1 10 . 1 1 64 64 GLU H H 79 7.899 7.899 8.132 -0.233 17645
4006 1 10 . 1 1 65 65 TYR N N 80 122.505 122.505 119.730 2.775 17645
4007 1 10 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.196 -0.254 17645
4008 1 10 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.598 1.162 17645
4009 1 10 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.498 0.972 17645
4010 1 10 . 1 1 65 65 TYR H H 80 9.023 9.023 7.949 1.074 17645
4011 1 10 . 1 1 66 66 ASP N N 81 120.497 120.497 119.823 0.674 17645
4012 1 10 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.356 -0.139 17645
4013 1 10 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.141 0.959 17645
4014 1 10 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.200 0.440 17645
4015 1 10 . 1 1 66 66 ASP H H 81 9.089 9.089 7.977 1.112 17645
4016 1 10 . 1 1 67 67 ALA N N 82 122.397 122.397 122.602 -0.205 17645
4017 1 10 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.090 0.097 17645
4018 1 10 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.022 0.808 17645
4019 1 10 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.392 0.528 17645
4020 1 10 . 1 1 67 67 ALA H H 82 7.636 7.636 8.262 -0.626 17645
4021 1 10 . 1 1 68 68 LEU N N 83 121.806 121.806 118.276 3.530 17645
4022 1 10 . 1 1 68 68 LEU HA H 83 4.145 4.145 3.986 0.159 17645
4023 1 10 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.741 0.539 17645
4024 1 10 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.861 0.999 17645
4025 1 10 . 1 1 68 68 LEU H H 83 7.727 7.727 7.594 0.133 17645
4026 1 10 . 1 1 69 69 VAL N N 84 123.560 123.560 120.184 3.376 17645
4027 1 10 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.571 -0.266 17645
4028 1 10 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.056 1.984 17645
4029 1 10 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.733 1.457 17645
4030 1 10 . 1 1 69 69 VAL H H 84 8.560 8.560 7.707 0.853 17645
4031 1 10 . 1 1 70 70 LYS N N 85 121.398 121.398 120.875 0.523 17645
4032 1 10 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.052 0.040 17645
4033 1 10 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.536 0.714 17645
4034 1 10 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.061 0.699 17645
4035 1 10 . 1 1 70 70 LYS H H 85 7.956 7.956 8.191 -0.235 17645
4036 1 10 . 1 1 71 71 SER N N 86 114.825 114.825 115.183 -0.358 17645
4037 1 10 . 1 1 71 71 SER HA H 86 4.298 4.298 4.169 0.129 17645
4038 1 10 . 1 1 71 71 SER CA C 86 62.810 62.810 61.771 1.039 17645
4039 1 10 . 1 1 71 71 SER CB C 86 63.640 63.640 62.779 0.861 17645
4040 1 10 . 1 1 71 71 SER H H 86 8.284 8.284 7.878 0.406 17645
4041 1 10 . 1 1 72 72 SER N N 87 118.845 118.845 117.296 1.549 17645
4042 1 10 . 1 1 72 72 SER HA H 87 4.269 4.269 4.008 0.261 17645
4043 1 10 . 1 1 72 72 SER CA C 87 62.940 62.940 61.546 1.394 17645
4044 1 10 . 1 1 72 72 SER CB C 87 63.870 63.870 63.008 0.862 17645
4045 1 10 . 1 1 72 72 SER H H 87 8.421 8.421 8.288 0.133 17645
4046 1 10 . 1 1 73 73 GLU N N 88 124.809 124.809 120.965 3.844 17645
4047 1 10 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.859 0.193 17645
4048 1 10 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.615 0.615 17645
4049 1 10 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.448 0.782 17645
4050 1 10 . 1 1 73 73 GLU H H 88 8.376 8.376 7.911 0.465 17645
4051 1 10 . 1 1 74 74 ASP N N 89 122.193 122.193 118.727 3.466 17645
4052 1 10 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.441 -0.030 17645
4053 1 10 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.188 0.722 17645
4054 1 10 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.908 -0.328 17645
4055 1 10 . 1 1 74 74 ASP H H 89 8.734 8.734 7.841 0.893 17645
4056 1 10 . 1 1 75 75 LEU N N 90 123.280 123.280 122.369 0.911 17645
4057 1 10 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.967 0.323 17645
4058 1 10 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.971 0.589 17645
4059 1 10 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.874 0.156 17645
4060 1 10 . 1 1 75 75 LEU H H 90 7.986 7.986 7.334 0.652 17645
4061 1 10 . 1 1 76 76 LEU N N 91 120.488 120.488 118.341 2.147 17645
4062 1 10 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.692 0.146 17645
4063 1 10 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.326 0.874 17645
4064 1 10 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.841 0.669 17645
4065 1 10 . 1 1 76 76 LEU H H 91 8.280 8.280 8.272 0.008 17645
4066 1 10 . 1 1 77 77 SER N N 92 113.817 113.817 115.468 -1.651 17645
4067 1 10 . 1 1 77 77 SER HA H 92 4.235 4.235 4.236 -0.001 17645
4068 1 10 . 1 1 77 77 SER CA C 92 62.200 62.200 61.581 0.619 17645
4069 1 10 . 1 1 77 77 SER CB C 92 63.440 63.440 62.590 0.850 17645
4070 1 10 . 1 1 77 77 SER H H 92 8.219 8.219 7.987 0.232 17645
4071 1 10 . 1 1 78 78 ALA N N 93 124.902 124.902 124.929 -0.027 17645
4072 1 10 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.061 0.105 17645
4073 1 10 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.770 1.090 17645
4074 1 10 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.212 0.548 17645
4075 1 10 . 1 1 78 78 ALA H H 93 7.949 7.949 7.642 0.307 17645
4076 1 10 . 1 1 79 79 LEU N N 94 120.602 120.602 119.388 1.214 17645
4077 1 10 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.790 0.277 17645
4078 1 10 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.047 0.423 17645
4079 1 10 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.821 0.789 17645
4080 1 10 . 1 1 79 79 LEU H H 94 8.587 8.587 8.107 0.480 17645
4081 1 10 . 1 1 80 80 GLN N N 95 119.525 119.525 118.297 1.228 17645
4082 1 10 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.942 0.106 17645
4083 1 10 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.478 0.112 17645
4084 1 10 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.289 0.551 17645
4085 1 10 . 1 1 80 80 GLN H H 95 8.561 8.561 8.567 -0.006 17645
4086 1 10 . 1 1 81 81 LYS N N 96 121.075 121.075 118.328 2.747 17645
4087 1 10 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.057 0.080 17645
4088 1 10 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.272 0.778 17645
4089 1 10 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.080 0.860 17645
4090 1 10 . 1 1 81 81 LYS H H 96 8.003 8.003 7.778 0.225 17645
4091 1 10 . 1 1 82 82 LYS N N 97 121.415 121.415 119.927 1.488 17645
4092 1 10 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.045 0.080 17645
4093 1 10 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.766 0.204 17645
4094 1 10 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.336 0.784 17645
4095 1 10 . 1 1 82 82 LYS H H 97 7.903 7.903 7.392 0.511 17645
4096 1 10 . 1 1 83 83 LYS N N 98 121.081 121.081 117.732 3.349 17645
4097 1 10 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.040 -0.058 17645
4098 1 10 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.008 1.002 17645
4099 1 10 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.780 1.340 17645
4100 1 10 . 1 1 83 83 LYS H H 98 8.202 8.202 8.049 0.153 17645
4101 1 10 . 1 1 84 84 GLN N N 99 119.576 119.576 118.139 1.437 17645
4102 1 10 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.068 0.056 17645
4103 1 10 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.096 1.714 17645
4104 1 10 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.930 0.030 17645
4105 1 10 . 1 1 84 84 GLN H H 99 8.125 8.125 8.025 0.100 17645
4106 1 10 . 1 1 85 85 GLN N N 100 120.009 120.009 116.523 3.486 17645
4107 1 10 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.218 -0.097 17645
4108 1 10 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.352 2.238 17645
4109 1 10 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.439 -0.419 17645
4110 1 10 . 1 1 85 85 GLN H H 100 8.341 8.341 7.655 0.686 17645
4111 1 10 . 1 1 86 86 GLU N N 101 121.718 121.718 119.507 2.211 17645
4112 1 10 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.174 -0.039 17645
4113 1 10 . 1 1 86 86 GLU CA C 101 60.430 60.430 56.389 4.041 17645
4114 1 10 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.695 -0.555 17645
4115 1 10 . 1 1 86 86 GLU H H 101 8.275 8.275 8.098 0.177 17645
4116 1 10 . 1 1 87 87 GLU N N 102 121.412 121.412 119.325 2.087 17645
4117 1 10 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.245 -0.129 17645
4118 1 10 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.932 3.028 17645
4119 1 10 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.622 0.668 17645
4120 1 10 . 1 1 87 87 GLU H H 102 8.330 8.330 8.523 -0.193 17645
4121 1 11 . 1 1 2 2 GLY N N 17 110.356 110.356 108.578 1.778 17645
4122 1 11 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.599 0.011 17645
4123 1 11 . 1 1 2 2 GLY H H 17 8.065 8.065 7.824 0.241 17645
4124 1 11 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.660 -0.267 17645
4125 1 11 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.194 2.476 17645
4126 1 11 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.088 2.612 17645
4127 1 11 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.169 0.561 17645
4128 1 11 . 1 1 5 5 SER HA H 20 4.192 4.192 4.129 0.063 17645
4129 1 11 . 1 1 5 5 SER CA C 20 60.960 60.960 61.088 -0.128 17645
4130 1 11 . 1 1 5 5 SER CB C 20 64.250 64.250 62.238 2.012 17645
4131 1 11 . 1 1 6 6 LEU N N 21 122.731 122.731 121.856 0.875 17645
4132 1 11 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.981 0.139 17645
4133 1 11 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.413 0.307 17645
4134 1 11 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.559 1.411 17645
4135 1 11 . 1 1 6 6 LEU H H 21 8.052 8.052 7.564 0.488 17645
4136 1 11 . 1 1 7 7 VAL N N 22 119.948 119.948 119.749 0.199 17645
4137 1 11 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.544 0.209 17645
4138 1 11 . 1 1 7 7 VAL CA C 22 65.350 65.350 67.012 -1.662 17645
4139 1 11 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.232 1.368 17645
4140 1 11 . 1 1 7 7 VAL H H 22 7.676 7.676 7.828 -0.152 17645
4141 1 11 . 1 1 8 8 LYS N N 23 122.400 122.400 119.998 2.402 17645
4142 1 11 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.077 0.110 17645
4143 1 11 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.020 -0.190 17645
4144 1 11 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.892 0.668 17645
4145 1 11 . 1 1 8 8 LYS H H 23 7.830 7.830 7.541 0.289 17645
4146 1 11 . 1 1 9 9 VAL N N 24 121.205 121.205 118.108 3.097 17645
4147 1 11 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.728 0.098 17645
4148 1 11 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.990 -0.130 17645
4149 1 11 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.573 0.877 17645
4150 1 11 . 1 1 9 9 VAL H H 24 8.194 8.194 7.673 0.521 17645
4151 1 11 . 1 1 10 10 GLY N N 25 107.900 107.900 106.432 1.468 17645
4152 1 11 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.547 0.113 17645
4153 1 11 . 1 1 10 10 GLY H H 25 8.446 8.446 8.394 0.052 17645
4154 1 11 . 1 1 11 11 THR N N 26 116.800 116.800 119.497 -2.697 17645
4155 1 11 . 1 1 11 11 THR HA H 26 4.109 4.109 3.929 0.180 17645
4156 1 11 . 1 1 11 11 THR CA C 26 66.300 66.300 66.692 -0.392 17645
4157 1 11 . 1 1 11 11 THR CB C 26 69.690 69.690 68.290 1.400 17645
4158 1 11 . 1 1 11 11 THR H H 26 7.992 7.992 8.230 -0.238 17645
4159 1 11 . 1 1 12 12 LEU N N 27 123.983 123.983 122.183 1.800 17645
4160 1 11 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.946 0.181 17645
4161 1 11 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.070 0.400 17645
4162 1 11 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.568 1.242 17645
4163 1 11 . 1 1 12 12 LEU H H 27 7.934 7.934 8.058 -0.124 17645
4164 1 11 . 1 1 13 13 LYS N N 28 117.513 117.513 119.151 -1.638 17645
4165 1 11 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.920 -0.017 17645
4166 1 11 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.752 0.398 17645
4167 1 11 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.911 0.819 17645
4168 1 11 . 1 1 13 13 LYS H H 28 7.824 7.824 7.779 0.045 17645
4169 1 11 . 1 1 14 14 LYS N N 29 119.275 119.275 119.277 -0.002 17645
4170 1 11 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.005 0.146 17645
4171 1 11 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.369 0.091 17645
4172 1 11 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.224 0.526 17645
4173 1 11 . 1 1 14 14 LYS H H 29 7.685 7.685 7.709 -0.024 17645
4174 1 11 . 1 1 15 15 ARG N N 30 119.090 119.090 120.024 -0.934 17645
4175 1 11 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.720 0.340 17645
4176 1 11 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.711 0.319 17645
4177 1 11 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.774 0.736 17645
4178 1 11 . 1 1 15 15 ARG H H 30 7.709 7.709 7.586 0.123 17645
4179 1 11 . 1 1 16 16 LEU N N 31 118.473 118.473 120.935 -2.462 17645
4180 1 11 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.190 -0.213 17645
4181 1 11 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.181 -0.101 17645
4182 1 11 . 1 1 16 16 LEU CB C 31 41.320 41.320 40.906 0.414 17645
4183 1 11 . 1 1 16 16 LEU H H 31 7.595 7.595 8.445 -0.850 17645
4184 1 11 . 1 1 17 17 ASP N N 32 120.020 120.020 118.430 1.590 17645
4185 1 11 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.233 0.206 17645
4186 1 11 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.747 0.233 17645
4187 1 11 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.988 -0.108 17645
4188 1 11 . 1 1 17 17 ASP H H 32 7.858 7.858 7.824 0.034 17645
4189 1 11 . 1 1 18 18 LYS N N 33 119.708 119.708 120.429 -0.721 17645
4190 1 11 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.960 0.238 17645
4191 1 11 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.407 0.063 17645
4192 1 11 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.547 0.643 17645
4193 1 11 . 1 1 18 18 LYS H H 33 7.564 7.564 7.446 0.118 17645
4194 1 11 . 1 1 19 19 PHE N N 34 118.256 118.256 117.545 0.711 17645
4195 1 11 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.204 0.047 17645
4196 1 11 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.474 0.236 17645
4197 1 11 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.755 0.995 17645
4198 1 11 . 1 1 19 19 PHE H H 34 7.884 7.884 7.398 0.486 17645
4199 1 11 . 1 1 20 20 ASN N N 35 117.779 117.779 117.947 -0.168 17645
4200 1 11 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.442 0.018 17645
4201 1 11 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.618 0.731 17645
4202 1 11 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.904 1.096 17645
4203 1 11 . 1 1 20 20 ASN H H 35 8.054 8.054 8.206 -0.152 17645
4204 1 11 . 1 1 21 21 GLU N N 36 120.312 120.312 120.732 -0.420 17645
4205 1 11 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.114 -0.008 17645
4206 1 11 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.610 0.160 17645
4207 1 11 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.499 1.011 17645
4208 1 11 . 1 1 21 21 GLU H H 36 7.983 7.983 7.764 0.219 17645
4209 1 11 . 1 1 22 22 VAL N N 37 119.756 119.756 119.265 0.491 17645
4210 1 11 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.750 0.092 17645
4211 1 11 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.273 -0.163 17645
4212 1 11 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.634 1.046 17645
4213 1 11 . 1 1 22 22 VAL H H 37 7.670 7.670 7.763 -0.093 17645
4214 1 11 . 1 1 23 23 VAL N N 38 118.300 118.300 118.673 -0.373 17645
4215 1 11 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.654 0.023 17645
4216 1 11 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.579 -0.028 17645
4217 1 11 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.738 0.742 17645
4218 1 11 . 1 1 23 23 VAL H H 38 8.159 8.159 8.468 -0.309 17645
4219 1 11 . 1 1 24 24 SER N N 39 113.952 113.952 116.047 -2.095 17645
4220 1 11 . 1 1 24 24 SER HA H 39 4.170 4.170 4.114 0.056 17645
4221 1 11 . 1 1 24 24 SER CA C 39 61.880 61.880 61.848 0.032 17645
4222 1 11 . 1 1 24 24 SER CB C 39 63.740 63.740 63.080 0.660 17645
4223 1 11 . 1 1 24 24 SER H H 39 7.773 7.773 8.331 -0.558 17645
4224 1 11 . 1 1 25 25 ALA N N 40 122.572 122.572 122.451 0.121 17645
4225 1 11 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.196 0.229 17645
4226 1 11 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.945 -1.065 17645
4227 1 11 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.543 1.907 17645
4228 1 11 . 1 1 25 25 ALA H H 40 7.436 7.436 7.695 -0.259 17645
4229 1 11 . 1 1 26 26 LEU N N 41 120.677 120.677 118.147 2.530 17645
4230 1 11 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.107 0.274 17645
4231 1 11 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.488 -0.628 17645
4232 1 11 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.359 0.831 17645
4233 1 11 . 1 1 26 26 LEU H H 41 7.499 7.499 7.658 -0.159 17645
4234 1 11 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.915 0.370 17645
4235 1 11 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.053 0.197 17645
4236 1 11 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.867 3.002 17645
4237 1 11 . 1 1 28 28 ASP N N 43 120.989 120.989 118.289 2.700 17645
4238 1 11 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.745 0.056 17645
4239 1 11 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.136 1.424 17645
4240 1 11 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.150 0.290 17645
4241 1 11 . 1 1 28 28 ASP H H 43 8.513 8.513 7.728 0.785 17645
4242 1 11 . 1 1 29 29 GLY N N 44 108.379 108.379 111.133 -2.754 17645
4243 1 11 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.032 0.508 17645
4244 1 11 . 1 1 29 29 GLY H H 44 8.425 8.425 8.603 -0.178 17645
4245 1 11 . 1 1 30 30 LYS N N 45 119.932 119.932 119.673 0.259 17645
4246 1 11 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.158 -0.079 17645
4247 1 11 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.275 0.245 17645
4248 1 11 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.599 0.471 17645
4249 1 11 . 1 1 30 30 LYS H H 45 8.269 8.269 8.513 -0.244 17645
4250 1 11 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.277 0.031 17645
4251 1 11 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.999 1.040 17645
4252 1 11 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.062 0.758 17645
4253 1 11 . 1 1 32 32 GLU N N 47 118.526 118.526 118.172 0.354 17645
4254 1 11 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.084 0.049 17645
4255 1 11 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.097 1.073 17645
4256 1 11 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.680 1.230 17645
4257 1 11 . 1 1 32 32 GLU H H 47 8.189 8.189 8.625 -0.436 17645
4258 1 11 . 1 1 33 33 VAL N N 48 120.183 120.183 120.948 -0.765 17645
4259 1 11 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.624 0.288 17645
4260 1 11 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.858 0.442 17645
4261 1 11 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.870 0.490 17645
4262 1 11 . 1 1 33 33 VAL H H 48 7.744 7.744 8.044 -0.300 17645
4263 1 11 . 1 1 34 34 ASN N N 49 119.700 119.700 117.752 1.948 17645
4264 1 11 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.449 0.001 17645
4265 1 11 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.217 0.834 17645
4266 1 11 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.788 0.862 17645
4267 1 11 . 1 1 34 34 ASN H H 49 8.582 8.582 8.658 -0.076 17645
4268 1 11 . 1 1 35 35 ARG N N 50 121.009 121.009 120.767 0.242 17645
4269 1 11 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.032 0.105 17645
4270 1 11 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.483 0.287 17645
4271 1 11 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.381 0.389 17645
4272 1 11 . 1 1 35 35 ARG H H 50 7.848 7.848 7.858 -0.010 17645
4273 1 11 . 1 1 36 36 GLN N N 51 119.394 119.394 119.207 0.187 17645
4274 1 11 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.108 -0.045 17645
4275 1 11 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.665 1.345 17645
4276 1 11 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.528 1.242 17645
4277 1 11 . 1 1 36 36 GLN H H 51 7.685 7.685 7.951 -0.266 17645
4278 1 11 . 1 1 37 37 ILE N N 52 122.006 122.006 121.018 0.988 17645
4279 1 11 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.629 -0.175 17645
4280 1 11 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.500 0.800 17645
4281 1 11 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.658 1.242 17645
4282 1 11 . 1 1 37 37 ILE H H 52 8.293 8.293 8.825 -0.532 17645
4283 1 11 . 1 1 38 38 LYS N N 53 121.163 121.163 120.377 0.786 17645
4284 1 11 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.965 0.206 17645
4285 1 11 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.738 -0.688 17645
4286 1 11 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.112 -0.182 17645
4287 1 11 . 1 1 38 38 LYS H H 53 8.169 8.169 7.875 0.294 17645
4288 1 11 . 1 1 39 39 ASN N N 54 117.219 117.219 118.515 -1.296 17645
4289 1 11 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.407 0.076 17645
4290 1 11 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.965 0.645 17645
4291 1 11 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.857 0.583 17645
4292 1 11 . 1 1 39 39 ASN H H 54 8.171 8.171 7.811 0.360 17645
4293 1 11 . 1 1 40 40 LEU N N 55 123.907 123.907 120.252 3.655 17645
4294 1 11 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.959 0.246 17645
4295 1 11 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.294 0.546 17645
4296 1 11 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.048 1.022 17645
4297 1 11 . 1 1 40 40 LEU H H 55 7.702 7.702 7.931 -0.229 17645
4298 1 11 . 1 1 41 41 GLU N N 56 121.779 121.779 117.666 4.113 17645
4299 1 11 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.968 -0.266 17645
4300 1 11 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.576 1.874 17645
4301 1 11 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.637 0.693 17645
4302 1 11 . 1 1 41 41 GLU H H 56 8.442 8.442 7.897 0.545 17645
4303 1 11 . 1 1 42 42 ILE N N 57 119.133 119.133 119.583 -0.450 17645
4304 1 11 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.899 -0.016 17645
4305 1 11 . 1 1 42 42 ILE CA C 57 65.550 65.550 62.866 2.684 17645
4306 1 11 . 1 1 42 42 ILE CB C 57 38.950 38.950 36.599 2.351 17645
4307 1 11 . 1 1 42 42 ILE H H 57 8.531 8.531 7.739 0.792 17645
4308 1 11 . 1 1 43 43 SER N N 58 118.622 118.622 116.864 1.758 17645
4309 1 11 . 1 1 43 43 SER HA H 58 4.322 4.322 4.058 0.264 17645
4310 1 11 . 1 1 43 43 SER CA C 58 62.940 62.940 62.188 0.752 17645
4311 1 11 . 1 1 43 43 SER CB C 58 63.500 63.500 63.157 0.343 17645
4312 1 11 . 1 1 43 43 SER H H 58 8.027 8.027 7.784 0.243 17645
4313 1 11 . 1 1 44 44 ILE N N 59 126.416 126.416 121.996 4.420 17645
4314 1 11 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.617 0.011 17645
4315 1 11 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.755 1.155 17645
4316 1 11 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.765 1.395 17645
4317 1 11 . 1 1 44 44 ILE H H 59 8.543 8.543 8.135 0.408 17645
4318 1 11 . 1 1 45 45 ASP N N 60 121.563 121.563 119.521 2.042 17645
4319 1 11 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.249 0.158 17645
4320 1 11 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.423 0.857 17645
4321 1 11 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.740 0.019 17645
4322 1 11 . 1 1 45 45 ASP H H 60 8.406 8.406 7.860 0.546 17645
4323 1 11 . 1 1 46 46 ALA N N 61 123.500 123.500 122.630 0.870 17645
4324 1 11 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.046 0.156 17645
4325 1 11 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.114 0.596 17645
4326 1 11 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.449 0.211 17645
4327 1 11 . 1 1 46 46 ALA H H 61 8.538 8.538 8.073 0.465 17645
4328 1 11 . 1 1 47 47 LEU N N 62 121.942 121.942 119.711 2.231 17645
4329 1 11 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.894 0.400 17645
4330 1 11 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.663 -0.003 17645
4331 1 11 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.844 -0.704 17645
4332 1 11 . 1 1 47 47 LEU H H 62 7.801 7.801 7.799 0.002 17645
4333 1 11 . 1 1 48 48 MET N N 63 118.068 118.068 118.728 -0.660 17645
4334 1 11 . 1 1 48 48 MET HA H 63 3.945 3.945 3.871 0.074 17645
4335 1 11 . 1 1 48 48 MET CA C 63 60.330 60.330 59.265 1.065 17645
4336 1 11 . 1 1 48 48 MET CB C 63 33.110 33.110 32.434 0.676 17645
4337 1 11 . 1 1 48 48 MET H H 63 8.261 8.261 7.793 0.468 17645
4338 1 11 . 1 1 49 49 ALA N N 64 120.428 120.428 118.682 1.746 17645
4339 1 11 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.050 0.051 17645
4340 1 11 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.018 0.752 17645
4341 1 11 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.073 0.697 17645
4342 1 11 . 1 1 49 49 ALA H H 64 8.045 8.045 7.975 0.070 17645
4343 1 11 . 1 1 50 50 LYS N N 65 121.947 121.947 118.353 3.594 17645
4344 1 11 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.297 -0.258 17645
4345 1 11 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.783 1.737 17645
4346 1 11 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.765 0.915 17645
4347 1 11 . 1 1 50 50 LYS H H 65 8.063 8.063 7.841 0.222 17645
4348 1 11 . 1 1 51 51 ILE N N 66 121.189 121.189 118.732 2.457 17645
4349 1 11 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.923 -0.173 17645
4350 1 11 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.227 2.514 17645
4351 1 11 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.151 1.969 17645
4352 1 11 . 1 1 51 51 ILE H H 66 8.437 8.437 8.335 0.102 17645
4353 1 11 . 1 1 52 52 LYS N N 67 117.119 117.119 118.191 -1.072 17645
4354 1 11 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.359 -0.223 17645
4355 1 11 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.363 1.847 17645
4356 1 11 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.930 0.750 17645
4357 1 11 . 1 1 52 52 LYS H H 67 7.622 7.622 7.902 -0.280 17645
4358 1 11 . 1 1 53 53 SER N N 68 111.824 111.824 114.362 -2.538 17645
4359 1 11 . 1 1 53 53 SER HA H 68 4.602 4.602 4.531 0.071 17645
4360 1 11 . 1 1 53 53 SER CA C 68 59.960 59.960 58.765 1.195 17645
4361 1 11 . 1 1 53 53 SER CB C 68 65.750 65.750 63.153 2.597 17645
4362 1 11 . 1 1 53 53 SER H H 68 7.750 7.750 7.786 -0.036 17645
4363 1 11 . 1 1 54 54 THR N N 69 115.916 115.916 111.036 4.880 17645
4364 1 11 . 1 1 54 54 THR HA H 69 4.596 4.596 4.307 0.289 17645
4365 1 11 . 1 1 54 54 THR CA C 69 62.460 62.460 61.436 1.024 17645
4366 1 11 . 1 1 54 54 THR CB C 69 71.650 71.650 70.317 1.333 17645
4367 1 11 . 1 1 54 54 THR H H 69 7.972 7.972 7.137 0.835 17645
4368 1 11 . 1 1 55 55 MET N N 70 121.343 121.343 123.121 -1.778 17645
4369 1 11 . 1 1 55 55 MET HA H 70 4.551 4.551 4.345 0.206 17645
4370 1 11 . 1 1 55 55 MET CA C 70 56.050 56.050 55.184 0.866 17645
4371 1 11 . 1 1 55 55 MET CB C 70 32.500 32.500 31.547 0.953 17645
4372 1 11 . 1 1 55 55 MET H H 70 8.306 8.306 8.740 -0.434 17645
4373 1 11 . 1 1 56 56 MET N N 71 123.196 123.196 123.967 -0.771 17645
4374 1 11 . 1 1 56 56 MET HA H 71 4.706 4.706 4.455 0.251 17645
4375 1 11 . 1 1 56 56 MET CA C 71 55.860 55.860 54.119 1.741 17645
4376 1 11 . 1 1 56 56 MET CB C 71 37.620 37.620 32.675 4.945 17645
4377 1 11 . 1 1 56 56 MET H H 71 8.114 8.114 8.115 -0.001 17645
4378 1 11 . 1 1 57 57 THR N N 72 113.158 113.158 119.962 -6.804 17645
4379 1 11 . 1 1 57 57 THR HA H 72 4.483 4.483 4.429 0.054 17645
4380 1 11 . 1 1 57 57 THR CA C 72 61.080 61.080 61.711 -0.631 17645
4381 1 11 . 1 1 57 57 THR CB C 72 71.670 71.670 69.989 1.681 17645
4382 1 11 . 1 1 57 57 THR H H 72 8.486 8.486 8.413 0.073 17645
4383 1 11 . 1 1 58 58 ARG N N 73 121.911 121.911 124.710 -2.799 17645
4384 1 11 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.882 0.027 17645
4385 1 11 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.577 -0.056 17645
4386 1 11 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.960 0.370 17645
4387 1 11 . 1 1 58 58 ARG H H 73 8.961 8.961 8.937 0.024 17645
4388 1 11 . 1 1 59 59 GLU N N 74 118.955 118.955 118.304 0.651 17645
4389 1 11 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.988 0.044 17645
4390 1 11 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.816 1.074 17645
4391 1 11 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.928 1.032 17645
4392 1 11 . 1 1 59 59 GLU H H 74 8.833 8.833 8.787 0.046 17645
4393 1 11 . 1 1 60 60 GLN N N 75 121.077 121.077 118.158 2.919 17645
4394 1 11 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.121 -0.131 17645
4395 1 11 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.611 0.789 17645
4396 1 11 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.354 1.036 17645
4397 1 11 . 1 1 60 60 GLN H H 75 7.801 7.801 7.565 0.236 17645
4398 1 11 . 1 1 61 61 ILE N N 76 120.016 120.016 120.055 -0.039 17645
4399 1 11 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.901 -0.472 17645
4400 1 11 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.354 3.506 17645
4401 1 11 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.593 2.117 17645
4402 1 11 . 1 1 61 61 ILE H H 76 8.250 8.250 7.619 0.631 17645
4403 1 11 . 1 1 62 62 GLN N N 77 119.153 119.153 120.426 -1.273 17645
4404 1 11 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.004 -0.237 17645
4405 1 11 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.483 0.288 17645
4406 1 11 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.578 0.502 17645
4407 1 11 . 1 1 62 62 GLN H H 77 8.295 8.295 8.008 0.287 17645
4408 1 11 . 1 1 63 63 LYS N N 78 118.200 118.200 119.189 -0.989 17645
4409 1 11 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.092 0.062 17645
4410 1 11 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.235 0.915 17645
4411 1 11 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.177 1.133 17645
4412 1 11 . 1 1 63 63 LYS H H 78 7.839 7.839 7.826 0.013 17645
4413 1 11 . 1 1 64 64 GLU N N 79 120.133 120.133 119.188 0.945 17645
4414 1 11 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.020 0.122 17645
4415 1 11 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.505 0.825 17645
4416 1 11 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.454 1.156 17645
4417 1 11 . 1 1 64 64 GLU H H 79 7.899 7.899 8.006 -0.107 17645
4418 1 11 . 1 1 65 65 TYR N N 80 122.505 122.505 119.790 2.715 17645
4419 1 11 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.206 -0.264 17645
4420 1 11 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.340 1.420 17645
4421 1 11 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.494 0.976 17645
4422 1 11 . 1 1 65 65 TYR H H 80 9.023 9.023 8.189 0.834 17645
4423 1 11 . 1 1 66 66 ASP N N 81 120.497 120.497 119.733 0.764 17645
4424 1 11 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.418 -0.201 17645
4425 1 11 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.271 0.829 17645
4426 1 11 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.612 0.028 17645
4427 1 11 . 1 1 66 66 ASP H H 81 9.089 9.089 7.883 1.206 17645
4428 1 11 . 1 1 67 67 ALA N N 82 122.397 122.397 122.257 0.140 17645
4429 1 11 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.101 0.086 17645
4430 1 11 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.097 0.733 17645
4431 1 11 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.453 0.468 17645
4432 1 11 . 1 1 67 67 ALA H H 82 7.636 7.636 8.194 -0.558 17645
4433 1 11 . 1 1 68 68 LEU N N 83 121.806 121.806 118.386 3.420 17645
4434 1 11 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.050 0.095 17645
4435 1 11 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.789 0.491 17645
4436 1 11 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.876 0.984 17645
4437 1 11 . 1 1 68 68 LEU H H 83 7.727 7.727 7.649 0.078 17645
4438 1 11 . 1 1 69 69 VAL N N 84 123.560 123.560 119.466 4.094 17645
4439 1 11 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.539 -0.234 17645
4440 1 11 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.172 1.868 17645
4441 1 11 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.468 1.722 17645
4442 1 11 . 1 1 69 69 VAL H H 84 8.560 8.560 7.850 0.710 17645
4443 1 11 . 1 1 70 70 LYS N N 85 121.398 121.398 120.927 0.471 17645
4444 1 11 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.058 0.034 17645
4445 1 11 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.724 0.526 17645
4446 1 11 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.359 0.401 17645
4447 1 11 . 1 1 70 70 LYS H H 85 7.956 7.956 8.293 -0.337 17645
4448 1 11 . 1 1 71 71 SER N N 86 114.825 114.825 115.843 -1.018 17645
4449 1 11 . 1 1 71 71 SER HA H 86 4.298 4.298 4.156 0.142 17645
4450 1 11 . 1 1 71 71 SER CA C 86 62.810 62.810 61.175 1.635 17645
4451 1 11 . 1 1 71 71 SER CB C 86 63.640 63.640 62.846 0.794 17645
4452 1 11 . 1 1 71 71 SER H H 86 8.284 8.284 7.924 0.360 17645
4453 1 11 . 1 1 72 72 SER N N 87 118.845 118.845 118.256 0.589 17645
4454 1 11 . 1 1 72 72 SER HA H 87 4.269 4.269 3.935 0.334 17645
4455 1 11 . 1 1 72 72 SER CA C 87 62.940 62.940 61.996 0.944 17645
4456 1 11 . 1 1 72 72 SER CB C 87 63.870 63.870 63.004 0.866 17645
4457 1 11 . 1 1 72 72 SER H H 87 8.421 8.421 8.290 0.131 17645
4458 1 11 . 1 1 73 73 GLU N N 88 124.809 124.809 120.884 3.925 17645
4459 1 11 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.950 0.102 17645
4460 1 11 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.685 0.545 17645
4461 1 11 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.261 0.969 17645
4462 1 11 . 1 1 73 73 GLU H H 88 8.376 8.376 7.820 0.556 17645
4463 1 11 . 1 1 74 74 ASP N N 89 122.193 122.193 119.741 2.452 17645
4464 1 11 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.417 -0.006 17645
4465 1 11 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.763 1.147 17645
4466 1 11 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.993 -0.413 17645
4467 1 11 . 1 1 74 74 ASP H H 89 8.734 8.734 7.714 1.020 17645
4468 1 11 . 1 1 75 75 LEU N N 90 123.280 123.280 121.413 1.867 17645
4469 1 11 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.957 0.333 17645
4470 1 11 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.848 0.712 17645
4471 1 11 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.832 0.198 17645
4472 1 11 . 1 1 75 75 LEU H H 90 7.986 7.986 7.400 0.586 17645
4473 1 11 . 1 1 76 76 LEU N N 91 120.488 120.488 118.595 1.893 17645
4474 1 11 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.757 0.081 17645
4475 1 11 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.222 0.978 17645
4476 1 11 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.995 0.515 17645
4477 1 11 . 1 1 76 76 LEU H H 91 8.280 8.280 7.817 0.463 17645
4478 1 11 . 1 1 77 77 SER N N 92 113.817 113.817 114.377 -0.560 17645
4479 1 11 . 1 1 77 77 SER HA H 92 4.235 4.235 4.040 0.195 17645
4480 1 11 . 1 1 77 77 SER CA C 92 62.200 62.200 61.724 0.476 17645
4481 1 11 . 1 1 77 77 SER CB C 92 63.440 63.440 62.773 0.667 17645
4482 1 11 . 1 1 77 77 SER H H 92 8.219 8.219 7.850 0.369 17645
4483 1 11 . 1 1 78 78 ALA N N 93 124.902 124.902 124.111 0.791 17645
4484 1 11 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.077 0.089 17645
4485 1 11 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.075 0.785 17645
4486 1 11 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.147 0.613 17645
4487 1 11 . 1 1 78 78 ALA H H 93 7.949 7.949 7.539 0.410 17645
4488 1 11 . 1 1 79 79 LEU N N 94 120.602 120.602 118.892 1.710 17645
4489 1 11 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.802 0.265 17645
4490 1 11 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.680 0.790 17645
4491 1 11 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.406 1.204 17645
4492 1 11 . 1 1 79 79 LEU H H 94 8.587 8.587 7.976 0.611 17645
4493 1 11 . 1 1 80 80 GLN N N 95 119.525 119.525 119.297 0.228 17645
4494 1 11 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.924 0.124 17645
4495 1 11 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.868 -0.278 17645
4496 1 11 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.359 0.481 17645
4497 1 11 . 1 1 80 80 GLN H H 95 8.561 8.561 8.586 -0.025 17645
4498 1 11 . 1 1 81 81 LYS N N 96 121.075 121.075 119.055 2.020 17645
4499 1 11 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.907 0.230 17645
4500 1 11 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.556 0.494 17645
4501 1 11 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.164 0.776 17645
4502 1 11 . 1 1 81 81 LYS H H 96 8.003 8.003 7.769 0.234 17645
4503 1 11 . 1 1 82 82 LYS N N 97 121.415 121.415 119.718 1.697 17645
4504 1 11 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.935 0.190 17645
4505 1 11 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.737 0.233 17645
4506 1 11 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.392 0.728 17645
4507 1 11 . 1 1 82 82 LYS H H 97 7.903 7.903 7.734 0.169 17645
4508 1 11 . 1 1 83 83 LYS N N 98 121.081 121.081 119.619 1.462 17645
4509 1 11 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.063 -0.081 17645
4510 1 11 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.211 0.799 17645
4511 1 11 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.326 0.794 17645
4512 1 11 . 1 1 83 83 LYS H H 98 8.202 8.202 8.308 -0.106 17645
4513 1 11 . 1 1 84 84 GLN N N 99 119.576 119.576 117.747 1.829 17645
4514 1 11 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.079 0.045 17645
4515 1 11 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.289 1.521 17645
4516 1 11 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.787 0.173 17645
4517 1 11 . 1 1 84 84 GLN H H 99 8.125 8.125 8.351 -0.226 17645
4518 1 11 . 1 1 85 85 GLN N N 100 120.009 120.009 117.477 2.532 17645
4519 1 11 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.129 -0.008 17645
4520 1 11 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.994 2.596 17645
4521 1 11 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.464 -0.444 17645
4522 1 11 . 1 1 85 85 GLN H H 100 8.341 8.341 7.625 0.716 17645
4523 1 11 . 1 1 86 86 GLU N N 101 121.718 121.718 116.955 4.763 17645
4524 1 11 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.050 0.085 17645
4525 1 11 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.814 2.616 17645
4526 1 11 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.901 0.239 17645
4527 1 11 . 1 1 86 86 GLU H H 101 8.275 8.275 7.986 0.289 17645
4528 1 11 . 1 1 87 87 GLU N N 102 121.412 121.412 118.118 3.294 17645
4529 1 11 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.443 -0.327 17645
4530 1 11 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.505 3.455 17645
4531 1 11 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.613 -0.323 17645
4532 1 11 . 1 1 87 87 GLU H H 102 8.330 8.330 8.618 -0.288 17645
4533 1 12 . 1 1 2 2 GLY N N 17 110.356 110.356 109.881 0.475 17645
4534 1 12 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.746 0.864 17645
4535 1 12 . 1 1 2 2 GLY H H 17 8.065 8.065 8.356 -0.291 17645
4536 1 12 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.651 -0.258 17645
4537 1 12 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.819 1.851 17645
4538 1 12 . 1 1 3 3 PRO CB C 18 32.700 32.700 33.012 -0.312 17645
4539 1 12 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.816 0.914 17645
4540 1 12 . 1 1 5 5 SER HA H 20 4.192 4.192 4.622 -0.430 17645
4541 1 12 . 1 1 5 5 SER CA C 20 60.960 60.960 58.256 2.704 17645
4542 1 12 . 1 1 5 5 SER CB C 20 64.250 64.250 63.316 0.934 17645
4543 1 12 . 1 1 6 6 LEU N N 21 122.731 122.731 123.172 -0.441 17645
4544 1 12 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.005 0.115 17645
4545 1 12 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.976 -0.256 17645
4546 1 12 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.800 1.170 17645
4547 1 12 . 1 1 6 6 LEU H H 21 8.052 8.052 8.191 -0.139 17645
4548 1 12 . 1 1 7 7 VAL N N 22 119.948 119.948 118.746 1.202 17645
4549 1 12 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.682 0.071 17645
4550 1 12 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.143 -0.793 17645
4551 1 12 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.476 1.124 17645
4552 1 12 . 1 1 7 7 VAL H H 22 7.676 7.676 7.997 -0.321 17645
4553 1 12 . 1 1 8 8 LYS N N 23 122.400 122.400 119.741 2.659 17645
4554 1 12 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.134 0.053 17645
4555 1 12 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.694 -0.864 17645
4556 1 12 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.435 0.125 17645
4557 1 12 . 1 1 8 8 LYS H H 23 7.830 7.830 7.603 0.227 17645
4558 1 12 . 1 1 9 9 VAL N N 24 121.205 121.205 117.804 3.401 17645
4559 1 12 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.549 0.277 17645
4560 1 12 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.528 0.333 17645
4561 1 12 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.313 1.137 17645
4562 1 12 . 1 1 9 9 VAL H H 24 8.194 8.194 8.050 0.144 17645
4563 1 12 . 1 1 10 10 GLY N N 25 107.900 107.900 106.959 0.941 17645
4564 1 12 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.330 0.330 17645
4565 1 12 . 1 1 10 10 GLY H H 25 8.446 8.446 8.345 0.101 17645
4566 1 12 . 1 1 11 11 THR N N 26 116.800 116.800 119.618 -2.818 17645
4567 1 12 . 1 1 11 11 THR HA H 26 4.109 4.109 3.873 0.236 17645
4568 1 12 . 1 1 11 11 THR CA C 26 66.300 66.300 66.937 -0.637 17645
4569 1 12 . 1 1 11 11 THR CB C 26 69.690 69.690 68.579 1.111 17645
4570 1 12 . 1 1 11 11 THR H H 26 7.992 7.992 7.976 0.016 17645
4571 1 12 . 1 1 12 12 LEU N N 27 123.983 123.983 122.581 1.402 17645
4572 1 12 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.928 0.199 17645
4573 1 12 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.928 0.542 17645
4574 1 12 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.575 1.235 17645
4575 1 12 . 1 1 12 12 LEU H H 27 7.934 7.934 7.808 0.126 17645
4576 1 12 . 1 1 13 13 LYS N N 28 117.513 117.513 118.856 -1.343 17645
4577 1 12 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.782 0.121 17645
4578 1 12 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.782 0.368 17645
4579 1 12 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.024 0.706 17645
4580 1 12 . 1 1 13 13 LYS H H 28 7.824 7.824 7.709 0.115 17645
4581 1 12 . 1 1 14 14 LYS N N 29 119.275 119.275 119.066 0.209 17645
4582 1 12 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.946 0.205 17645
4583 1 12 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.396 0.064 17645
4584 1 12 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.130 0.620 17645
4585 1 12 . 1 1 14 14 LYS H H 29 7.685 7.685 7.651 0.034 17645
4586 1 12 . 1 1 15 15 ARG N N 30 119.090 119.090 120.457 -1.367 17645
4587 1 12 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.797 0.263 17645
4588 1 12 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.441 0.589 17645
4589 1 12 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.552 0.958 17645
4590 1 12 . 1 1 15 15 ARG H H 30 7.709 7.709 7.479 0.230 17645
4591 1 12 . 1 1 16 16 LEU N N 31 118.473 118.473 120.210 -1.737 17645
4592 1 12 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.539 0.438 17645
4593 1 12 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.979 0.101 17645
4594 1 12 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.560 -0.240 17645
4595 1 12 . 1 1 16 16 LEU H H 31 7.595 7.595 8.004 -0.409 17645
4596 1 12 . 1 1 17 17 ASP N N 32 120.020 120.020 118.161 1.859 17645
4597 1 12 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.204 0.235 17645
4598 1 12 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.540 0.440 17645
4599 1 12 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.680 0.200 17645
4600 1 12 . 1 1 17 17 ASP H H 32 7.858 7.858 7.728 0.130 17645
4601 1 12 . 1 1 18 18 LYS N N 33 119.708 119.708 120.177 -0.469 17645
4602 1 12 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.986 0.212 17645
4603 1 12 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.694 -0.224 17645
4604 1 12 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.712 0.478 17645
4605 1 12 . 1 1 18 18 LYS H H 33 7.564 7.564 7.388 0.176 17645
4606 1 12 . 1 1 19 19 PHE N N 34 118.256 118.256 117.346 0.910 17645
4607 1 12 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.225 0.026 17645
4608 1 12 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.380 1.330 17645
4609 1 12 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.478 1.272 17645
4610 1 12 . 1 1 19 19 PHE H H 34 7.884 7.884 7.356 0.528 17645
4611 1 12 . 1 1 20 20 ASN N N 35 117.779 117.779 118.136 -0.357 17645
4612 1 12 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.432 0.028 17645
4613 1 12 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.636 0.713 17645
4614 1 12 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.013 0.987 17645
4615 1 12 . 1 1 20 20 ASN H H 35 8.054 8.054 7.972 0.082 17645
4616 1 12 . 1 1 21 21 GLU N N 36 120.312 120.312 120.712 -0.400 17645
4617 1 12 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.028 0.078 17645
4618 1 12 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.676 0.094 17645
4619 1 12 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.816 0.695 17645
4620 1 12 . 1 1 21 21 GLU H H 36 7.983 7.983 7.705 0.278 17645
4621 1 12 . 1 1 22 22 VAL N N 37 119.756 119.756 119.692 0.064 17645
4622 1 12 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.703 0.139 17645
4623 1 12 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.740 -0.630 17645
4624 1 12 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.626 1.054 17645
4625 1 12 . 1 1 22 22 VAL H H 37 7.670 7.670 7.819 -0.149 17645
4626 1 12 . 1 1 23 23 VAL N N 38 118.300 118.300 119.173 -0.873 17645
4627 1 12 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.652 0.025 17645
4628 1 12 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.862 0.688 17645
4629 1 12 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.646 1.834 17645
4630 1 12 . 1 1 23 23 VAL H H 38 8.159 8.159 8.326 -0.167 17645
4631 1 12 . 1 1 24 24 SER N N 39 113.952 113.952 115.760 -1.808 17645
4632 1 12 . 1 1 24 24 SER HA H 39 4.170 4.170 4.047 0.123 17645
4633 1 12 . 1 1 24 24 SER CA C 39 61.880 61.880 61.379 0.501 17645
4634 1 12 . 1 1 24 24 SER CB C 39 63.740 63.740 62.871 0.869 17645
4635 1 12 . 1 1 24 24 SER H H 39 7.773 7.773 8.383 -0.610 17645
4636 1 12 . 1 1 25 25 ALA N N 40 122.572 122.572 121.627 0.945 17645
4637 1 12 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.252 0.173 17645
4638 1 12 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.937 -1.057 17645
4639 1 12 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.762 1.688 17645
4640 1 12 . 1 1 25 25 ALA H H 40 7.436 7.436 7.649 -0.213 17645
4641 1 12 . 1 1 26 26 LEU N N 41 120.677 120.677 117.906 2.771 17645
4642 1 12 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.174 0.207 17645
4643 1 12 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.047 -0.187 17645
4644 1 12 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.465 0.725 17645
4645 1 12 . 1 1 26 26 LEU H H 41 7.499 7.499 7.588 -0.089 17645
4646 1 12 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.925 0.360 17645
4647 1 12 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.878 -0.628 17645
4648 1 12 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.630 3.240 17645
4649 1 12 . 1 1 28 28 ASP N N 43 120.989 120.989 120.803 0.186 17645
4650 1 12 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.589 0.212 17645
4651 1 12 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.261 -0.701 17645
4652 1 12 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.202 2.239 17645
4653 1 12 . 1 1 28 28 ASP H H 43 8.513 8.513 8.213 0.300 17645
4654 1 12 . 1 1 29 29 GLY N N 44 108.379 108.379 112.147 -3.768 17645
4655 1 12 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.609 0.931 17645
4656 1 12 . 1 1 29 29 GLY H H 44 8.425 8.425 8.608 -0.183 17645
4657 1 12 . 1 1 30 30 LYS N N 45 119.932 119.932 119.811 0.121 17645
4658 1 12 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.419 -0.340 17645
4659 1 12 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.898 1.622 17645
4660 1 12 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.945 0.125 17645
4661 1 12 . 1 1 30 30 LYS H H 45 8.269 8.269 8.401 -0.132 17645
4662 1 12 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.250 0.058 17645
4663 1 12 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.937 1.103 17645
4664 1 12 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.482 0.338 17645
4665 1 12 . 1 1 32 32 GLU N N 47 118.526 118.526 118.261 0.265 17645
4666 1 12 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.043 0.090 17645
4667 1 12 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.826 0.344 17645
4668 1 12 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.261 0.649 17645
4669 1 12 . 1 1 32 32 GLU H H 47 8.189 8.189 8.758 -0.569 17645
4670 1 12 . 1 1 33 33 VAL N N 48 120.183 120.183 119.021 1.162 17645
4671 1 12 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.648 0.264 17645
4672 1 12 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.288 0.012 17645
4673 1 12 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.339 1.021 17645
4674 1 12 . 1 1 33 33 VAL H H 48 7.744 7.744 7.376 0.368 17645
4675 1 12 . 1 1 34 34 ASN N N 49 119.700 119.700 117.854 1.846 17645
4676 1 12 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.425 0.025 17645
4677 1 12 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.473 0.577 17645
4678 1 12 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.156 0.494 17645
4679 1 12 . 1 1 34 34 ASN H H 49 8.582 8.582 8.468 0.114 17645
4680 1 12 . 1 1 35 35 ARG N N 50 121.009 121.009 121.018 -0.009 17645
4681 1 12 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.155 -0.018 17645
4682 1 12 . 1 1 35 35 ARG CA C 50 59.770 59.770 58.642 1.128 17645
4683 1 12 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.842 0.928 17645
4684 1 12 . 1 1 35 35 ARG H H 50 7.848 7.848 8.098 -0.250 17645
4685 1 12 . 1 1 36 36 GLN N N 51 119.394 119.394 119.409 -0.015 17645
4686 1 12 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.235 -0.172 17645
4687 1 12 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.912 1.098 17645
4688 1 12 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.046 0.724 17645
4689 1 12 . 1 1 36 36 GLN H H 51 7.685 7.685 7.745 -0.060 17645
4690 1 12 . 1 1 37 37 ILE N N 52 122.006 122.006 119.679 2.327 17645
4691 1 12 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.708 -0.254 17645
4692 1 12 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.709 0.591 17645
4693 1 12 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.422 1.478 17645
4694 1 12 . 1 1 37 37 ILE H H 52 8.293 8.293 8.929 -0.636 17645
4695 1 12 . 1 1 38 38 LYS N N 53 121.163 121.163 120.974 0.189 17645
4696 1 12 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.992 0.179 17645
4697 1 12 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.411 -0.361 17645
4698 1 12 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.299 -0.369 17645
4699 1 12 . 1 1 38 38 LYS H H 53 8.169 8.169 7.949 0.220 17645
4700 1 12 . 1 1 39 39 ASN N N 54 117.219 117.219 118.317 -1.098 17645
4701 1 12 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.465 0.018 17645
4702 1 12 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.743 0.867 17645
4703 1 12 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.645 0.795 17645
4704 1 12 . 1 1 39 39 ASN H H 54 8.171 8.171 7.884 0.287 17645
4705 1 12 . 1 1 40 40 LEU N N 55 123.907 123.907 121.055 2.852 17645
4706 1 12 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.040 0.165 17645
4707 1 12 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.214 0.626 17645
4708 1 12 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.568 0.502 17645
4709 1 12 . 1 1 40 40 LEU H H 55 7.702 7.702 8.474 -0.772 17645
4710 1 12 . 1 1 41 41 GLU N N 56 121.779 121.779 119.835 1.944 17645
4711 1 12 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.973 -0.271 17645
4712 1 12 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.690 1.760 17645
4713 1 12 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.508 0.823 17645
4714 1 12 . 1 1 41 41 GLU H H 56 8.442 8.442 7.966 0.476 17645
4715 1 12 . 1 1 42 42 ILE N N 57 119.133 119.133 119.675 -0.542 17645
4716 1 12 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.841 0.042 17645
4717 1 12 . 1 1 42 42 ILE CA C 57 65.550 65.550 63.164 2.386 17645
4718 1 12 . 1 1 42 42 ILE CB C 57 38.950 38.950 36.354 2.596 17645
4719 1 12 . 1 1 42 42 ILE H H 57 8.531 8.531 7.785 0.746 17645
4720 1 12 . 1 1 43 43 SER N N 58 118.622 118.622 116.331 2.291 17645
4721 1 12 . 1 1 43 43 SER HA H 58 4.322 4.322 4.057 0.265 17645
4722 1 12 . 1 1 43 43 SER CA C 58 62.940 62.940 62.034 0.906 17645
4723 1 12 . 1 1 43 43 SER CB C 58 63.500 63.500 63.117 0.383 17645
4724 1 12 . 1 1 43 43 SER H H 58 8.027 8.027 7.576 0.451 17645
4725 1 12 . 1 1 44 44 ILE N N 59 126.416 126.416 122.128 4.288 17645
4726 1 12 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.553 0.075 17645
4727 1 12 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.557 1.353 17645
4728 1 12 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.835 1.325 17645
4729 1 12 . 1 1 44 44 ILE H H 59 8.543 8.543 8.107 0.436 17645
4730 1 12 . 1 1 45 45 ASP N N 60 121.563 121.563 119.867 1.696 17645
4731 1 12 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.286 0.121 17645
4732 1 12 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.077 0.203 17645
4733 1 12 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.327 0.433 17645
4734 1 12 . 1 1 45 45 ASP H H 60 8.406 8.406 8.220 0.186 17645
4735 1 12 . 1 1 46 46 ALA N N 61 123.500 123.500 122.332 1.168 17645
4736 1 12 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.086 0.116 17645
4737 1 12 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.043 0.667 17645
4738 1 12 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.511 0.149 17645
4739 1 12 . 1 1 46 46 ALA H H 61 8.538 8.538 7.901 0.637 17645
4740 1 12 . 1 1 47 47 LEU N N 62 121.942 121.942 119.698 2.244 17645
4741 1 12 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.856 0.438 17645
4742 1 12 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.801 -0.141 17645
4743 1 12 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.824 -0.684 17645
4744 1 12 . 1 1 47 47 LEU H H 62 7.801 7.801 7.689 0.112 17645
4745 1 12 . 1 1 48 48 MET N N 63 118.068 118.068 116.554 1.514 17645
4746 1 12 . 1 1 48 48 MET HA H 63 3.945 3.945 3.935 0.010 17645
4747 1 12 . 1 1 48 48 MET CA C 63 60.330 60.330 58.665 1.665 17645
4748 1 12 . 1 1 48 48 MET CB C 63 33.110 33.110 30.921 2.189 17645
4749 1 12 . 1 1 48 48 MET H H 63 8.261 8.261 7.817 0.444 17645
4750 1 12 . 1 1 49 49 ALA N N 64 120.428 120.428 120.217 0.211 17645
4751 1 12 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.077 0.024 17645
4752 1 12 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.562 1.208 17645
4753 1 12 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.314 0.456 17645
4754 1 12 . 1 1 49 49 ALA H H 64 8.045 8.045 7.976 0.069 17645
4755 1 12 . 1 1 50 50 LYS N N 65 121.947 121.947 118.226 3.721 17645
4756 1 12 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.288 -0.249 17645
4757 1 12 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.761 1.759 17645
4758 1 12 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.810 0.870 17645
4759 1 12 . 1 1 50 50 LYS H H 65 8.063 8.063 7.850 0.213 17645
4760 1 12 . 1 1 51 51 ILE N N 66 121.189 121.189 118.453 2.736 17645
4761 1 12 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.964 -0.214 17645
4762 1 12 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.373 3.368 17645
4763 1 12 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.310 1.810 17645
4764 1 12 . 1 1 51 51 ILE H H 66 8.437 8.437 8.292 0.145 17645
4765 1 12 . 1 1 52 52 LYS N N 67 117.119 117.119 118.290 -1.171 17645
4766 1 12 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.357 -0.221 17645
4767 1 12 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.630 1.580 17645
4768 1 12 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.721 -0.041 17645
4769 1 12 . 1 1 52 52 LYS H H 67 7.622 7.622 7.827 -0.205 17645
4770 1 12 . 1 1 53 53 SER N N 68 111.824 111.824 115.974 -4.150 17645
4771 1 12 . 1 1 53 53 SER HA H 68 4.602 4.602 4.560 0.042 17645
4772 1 12 . 1 1 53 53 SER CA C 68 59.960 59.960 58.952 1.008 17645
4773 1 12 . 1 1 53 53 SER CB C 68 65.750 65.750 63.579 2.171 17645
4774 1 12 . 1 1 53 53 SER H H 68 7.750 7.750 7.946 -0.196 17645
4775 1 12 . 1 1 54 54 THR N N 69 115.916 115.916 111.640 4.276 17645
4776 1 12 . 1 1 54 54 THR HA H 69 4.596 4.596 4.328 0.268 17645
4777 1 12 . 1 1 54 54 THR CA C 69 62.460 62.460 61.919 0.541 17645
4778 1 12 . 1 1 54 54 THR CB C 69 71.650 71.650 69.890 1.760 17645
4779 1 12 . 1 1 54 54 THR H H 69 7.972 7.972 7.294 0.678 17645
4780 1 12 . 1 1 55 55 MET N N 70 121.343 121.343 122.320 -0.977 17645
4781 1 12 . 1 1 55 55 MET HA H 70 4.551 4.551 4.378 0.173 17645
4782 1 12 . 1 1 55 55 MET CA C 70 56.050 56.050 55.033 1.016 17645
4783 1 12 . 1 1 55 55 MET CB C 70 32.500 32.500 31.492 1.008 17645
4784 1 12 . 1 1 55 55 MET H H 70 8.306 8.306 8.612 -0.306 17645
4785 1 12 . 1 1 56 56 MET N N 71 123.196 123.196 122.527 0.669 17645
4786 1 12 . 1 1 56 56 MET HA H 71 4.706 4.706 4.485 0.221 17645
4787 1 12 . 1 1 56 56 MET CA C 71 55.860 55.860 54.402 1.458 17645
4788 1 12 . 1 1 56 56 MET CB C 71 37.620 37.620 32.910 4.710 17645
4789 1 12 . 1 1 56 56 MET H H 71 8.114 8.114 7.770 0.344 17645
4790 1 12 . 1 1 57 57 THR N N 72 113.158 113.158 117.280 -4.122 17645
4791 1 12 . 1 1 57 57 THR HA H 72 4.483 4.483 4.473 0.010 17645
4792 1 12 . 1 1 57 57 THR CA C 72 61.080 61.080 61.483 -0.403 17645
4793 1 12 . 1 1 57 57 THR CB C 72 71.670 71.670 69.804 1.866 17645
4794 1 12 . 1 1 57 57 THR H H 72 8.486 8.486 8.200 0.286 17645
4795 1 12 . 1 1 58 58 ARG N N 73 121.911 121.911 126.058 -4.147 17645
4796 1 12 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.921 -0.012 17645
4797 1 12 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.270 0.250 17645
4798 1 12 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.341 -0.011 17645
4799 1 12 . 1 1 58 58 ARG H H 73 8.961 8.961 8.893 0.068 17645
4800 1 12 . 1 1 59 59 GLU N N 74 118.955 118.955 118.364 0.591 17645
4801 1 12 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.039 -0.007 17645
4802 1 12 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.218 0.672 17645
4803 1 12 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.138 0.822 17645
4804 1 12 . 1 1 59 59 GLU H H 74 8.833 8.833 8.854 -0.021 17645
4805 1 12 . 1 1 60 60 GLN N N 75 121.077 121.077 118.489 2.588 17645
4806 1 12 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645
4807 1 12 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.587 0.813 17645
4808 1 12 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.703 0.687 17645
4809 1 12 . 1 1 60 60 GLN H H 75 7.801 7.801 7.656 0.145 17645
4810 1 12 . 1 1 61 61 ILE N N 76 120.016 120.016 120.445 -0.429 17645
4811 1 12 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.888 -0.459 17645
4812 1 12 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.554 3.306 17645
4813 1 12 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.697 2.013 17645
4814 1 12 . 1 1 61 61 ILE H H 76 8.250 8.250 7.627 0.623 17645
4815 1 12 . 1 1 62 62 GLN N N 77 119.153 119.153 120.103 -0.950 17645
4816 1 12 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.070 -0.303 17645
4817 1 12 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.029 0.741 17645
4818 1 12 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.377 0.703 17645
4819 1 12 . 1 1 62 62 GLN H H 77 8.295 8.295 8.283 0.012 17645
4820 1 12 . 1 1 63 63 LYS N N 78 118.200 118.200 119.808 -1.608 17645
4821 1 12 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.045 0.109 17645
4822 1 12 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.536 0.614 17645
4823 1 12 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.416 0.894 17645
4824 1 12 . 1 1 63 63 LYS H H 78 7.839 7.839 7.786 0.053 17645
4825 1 12 . 1 1 64 64 GLU N N 79 120.133 120.133 118.681 1.452 17645
4826 1 12 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.992 0.150 17645
4827 1 12 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.471 0.860 17645
4828 1 12 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.516 1.094 17645
4829 1 12 . 1 1 64 64 GLU H H 79 7.899 7.899 8.022 -0.123 17645
4830 1 12 . 1 1 65 65 TYR N N 80 122.505 122.505 119.521 2.984 17645
4831 1 12 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.236 -0.294 17645
4832 1 12 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.111 1.649 17645
4833 1 12 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.463 1.007 17645
4834 1 12 . 1 1 65 65 TYR H H 80 9.023 9.023 7.952 1.071 17645
4835 1 12 . 1 1 66 66 ASP N N 81 120.497 120.497 119.772 0.725 17645
4836 1 12 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.438 -0.221 17645
4837 1 12 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.281 0.819 17645
4838 1 12 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.934 -0.294 17645
4839 1 12 . 1 1 66 66 ASP H H 81 9.089 9.089 8.143 0.946 17645
4840 1 12 . 1 1 67 67 ALA N N 82 122.397 122.397 122.672 -0.275 17645
4841 1 12 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.107 0.080 17645
4842 1 12 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.145 0.685 17645
4843 1 12 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.431 0.489 17645
4844 1 12 . 1 1 67 67 ALA H H 82 7.636 7.636 8.180 -0.544 17645
4845 1 12 . 1 1 68 68 LEU N N 83 121.806 121.806 118.591 3.215 17645
4846 1 12 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.248 -0.103 17645
4847 1 12 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.475 0.805 17645
4848 1 12 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.178 0.682 17645
4849 1 12 . 1 1 68 68 LEU H H 83 7.727 7.727 7.701 0.026 17645
4850 1 12 . 1 1 69 69 VAL N N 84 123.560 123.560 120.568 2.992 17645
4851 1 12 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.619 -0.314 17645
4852 1 12 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.903 1.137 17645
4853 1 12 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.413 0.776 17645
4854 1 12 . 1 1 69 69 VAL H H 84 8.560 8.560 7.945 0.615 17645
4855 1 12 . 1 1 70 70 LYS N N 85 121.398 121.398 120.722 0.676 17645
4856 1 12 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.048 0.044 17645
4857 1 12 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.752 0.498 17645
4858 1 12 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.293 0.467 17645
4859 1 12 . 1 1 70 70 LYS H H 85 7.956 7.956 8.435 -0.479 17645
4860 1 12 . 1 1 71 71 SER N N 86 114.825 114.825 114.869 -0.044 17645
4861 1 12 . 1 1 71 71 SER HA H 86 4.298 4.298 4.174 0.124 17645
4862 1 12 . 1 1 71 71 SER CA C 86 62.810 62.810 61.682 1.128 17645
4863 1 12 . 1 1 71 71 SER CB C 86 63.640 63.640 62.601 1.039 17645
4864 1 12 . 1 1 71 71 SER H H 86 8.284 8.284 7.926 0.358 17645
4865 1 12 . 1 1 72 72 SER N N 87 118.845 118.845 118.745 0.100 17645
4866 1 12 . 1 1 72 72 SER HA H 87 4.269 4.269 3.979 0.290 17645
4867 1 12 . 1 1 72 72 SER CA C 87 62.940 62.940 61.962 0.978 17645
4868 1 12 . 1 1 72 72 SER CB C 87 63.870 63.870 63.029 0.841 17645
4869 1 12 . 1 1 72 72 SER H H 87 8.421 8.421 8.325 0.096 17645
4870 1 12 . 1 1 73 73 GLU N N 88 124.809 124.809 120.829 3.980 17645
4871 1 12 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.962 0.090 17645
4872 1 12 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.441 0.788 17645
4873 1 12 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.196 1.034 17645
4874 1 12 . 1 1 73 73 GLU H H 88 8.376 8.376 7.966 0.410 17645
4875 1 12 . 1 1 74 74 ASP N N 89 122.193 122.193 119.046 3.147 17645
4876 1 12 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.430 -0.019 17645
4877 1 12 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.195 0.715 17645
4878 1 12 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.971 -0.391 17645
4879 1 12 . 1 1 74 74 ASP H H 89 8.734 8.734 7.786 0.948 17645
4880 1 12 . 1 1 75 75 LEU N N 90 123.280 123.280 121.540 1.740 17645
4881 1 12 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.922 0.368 17645
4882 1 12 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.795 0.765 17645
4883 1 12 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.893 0.137 17645
4884 1 12 . 1 1 75 75 LEU H H 90 7.986 7.986 7.128 0.858 17645
4885 1 12 . 1 1 76 76 LEU N N 91 120.488 120.488 118.668 1.820 17645
4886 1 12 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.722 0.116 17645
4887 1 12 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.318 0.882 17645
4888 1 12 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.028 0.482 17645
4889 1 12 . 1 1 76 76 LEU H H 91 8.280 8.280 8.017 0.263 17645
4890 1 12 . 1 1 77 77 SER N N 92 113.817 113.817 114.396 -0.579 17645
4891 1 12 . 1 1 77 77 SER HA H 92 4.235 4.235 4.112 0.123 17645
4892 1 12 . 1 1 77 77 SER CA C 92 62.200 62.200 61.397 0.803 17645
4893 1 12 . 1 1 77 77 SER CB C 92 63.440 63.440 62.299 1.141 17645
4894 1 12 . 1 1 77 77 SER H H 92 8.219 8.219 7.926 0.293 17645
4895 1 12 . 1 1 78 78 ALA N N 93 124.902 124.902 124.675 0.227 17645
4896 1 12 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.100 0.066 17645
4897 1 12 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.888 0.972 17645
4898 1 12 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.223 0.537 17645
4899 1 12 . 1 1 78 78 ALA H H 93 7.949 7.949 7.579 0.370 17645
4900 1 12 . 1 1 79 79 LEU N N 94 120.602 120.602 118.909 1.693 17645
4901 1 12 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.798 0.269 17645
4902 1 12 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.230 0.241 17645
4903 1 12 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.536 1.074 17645
4904 1 12 . 1 1 79 79 LEU H H 94 8.587 8.587 7.870 0.717 17645
4905 1 12 . 1 1 80 80 GLN N N 95 119.525 119.525 118.178 1.347 17645
4906 1 12 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.926 0.122 17645
4907 1 12 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.502 0.089 17645
4908 1 12 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.574 0.266 17645
4909 1 12 . 1 1 80 80 GLN H H 95 8.561 8.561 8.623 -0.062 17645
4910 1 12 . 1 1 81 81 LYS N N 96 121.075 121.075 118.963 2.112 17645
4911 1 12 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.147 -0.010 17645
4912 1 12 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.218 0.832 17645
4913 1 12 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.926 1.014 17645
4914 1 12 . 1 1 81 81 LYS H H 96 8.003 8.003 7.940 0.063 17645
4915 1 12 . 1 1 82 82 LYS N N 97 121.415 121.415 120.465 0.950 17645
4916 1 12 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.995 0.130 17645
4917 1 12 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.973 -0.003 17645
4918 1 12 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.529 0.591 17645
4919 1 12 . 1 1 82 82 LYS H H 97 7.903 7.903 7.701 0.202 17645
4920 1 12 . 1 1 83 83 LYS N N 98 121.081 121.081 118.256 2.825 17645
4921 1 12 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.922 0.060 17645
4922 1 12 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.089 0.921 17645
4923 1 12 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.993 1.127 17645
4924 1 12 . 1 1 83 83 LYS H H 98 8.202 8.202 7.865 0.337 17645
4925 1 12 . 1 1 84 84 GLN N N 99 119.576 119.576 117.913 1.663 17645
4926 1 12 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.094 0.030 17645
4927 1 12 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.869 1.941 17645
4928 1 12 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.331 0.629 17645
4929 1 12 . 1 1 84 84 GLN H H 99 8.125 8.125 7.987 0.138 17645
4930 1 12 . 1 1 85 85 GLN N N 100 120.009 120.009 118.475 1.534 17645
4931 1 12 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.092 0.029 17645
4932 1 12 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.072 2.518 17645
4933 1 12 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.336 -0.316 17645
4934 1 12 . 1 1 85 85 GLN H H 100 8.341 8.341 7.700 0.641 17645
4935 1 12 . 1 1 86 86 GLU N N 101 121.718 121.718 116.878 4.840 17645
4936 1 12 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.079 0.056 17645
4937 1 12 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.669 2.761 17645
4938 1 12 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.620 0.520 17645
4939 1 12 . 1 1 86 86 GLU H H 101 8.275 8.275 7.882 0.393 17645
4940 1 12 . 1 1 87 87 GLU N N 102 121.412 121.412 119.523 1.889 17645
4941 1 12 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.438 -0.322 17645
4942 1 12 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.385 3.575 17645
4943 1 12 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.171 0.119 17645
4944 1 12 . 1 1 87 87 GLU H H 102 8.330 8.330 8.633 -0.303 17645
4945 1 13 . 1 1 2 2 GLY N N 17 110.356 110.356 109.434 0.922 17645
4946 1 13 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.620 0.990 17645
4947 1 13 . 1 1 2 2 GLY H H 17 8.065 8.065 8.536 -0.471 17645
4948 1 13 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.521 -0.128 17645
4949 1 13 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.821 1.849 17645
4950 1 13 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.489 2.211 17645
4951 1 13 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.743 0.987 17645
4952 1 13 . 1 1 5 5 SER HA H 20 4.192 4.192 4.608 -0.416 17645
4953 1 13 . 1 1 5 5 SER CA C 20 60.960 60.960 59.517 1.443 17645
4954 1 13 . 1 1 5 5 SER CB C 20 64.250 64.250 63.511 0.739 17645
4955 1 13 . 1 1 6 6 LEU N N 21 122.731 122.731 121.658 1.073 17645
4956 1 13 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.954 0.166 17645
4957 1 13 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.919 -0.198 17645
4958 1 13 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.740 1.230 17645
4959 1 13 . 1 1 6 6 LEU H H 21 8.052 8.052 8.393 -0.341 17645
4960 1 13 . 1 1 7 7 VAL N N 22 119.948 119.948 118.047 1.901 17645
4961 1 13 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.638 0.115 17645
4962 1 13 . 1 1 7 7 VAL CA C 22 65.350 65.350 65.989 -0.639 17645
4963 1 13 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.475 1.125 17645
4964 1 13 . 1 1 7 7 VAL H H 22 7.676 7.676 8.244 -0.568 17645
4965 1 13 . 1 1 8 8 LYS N N 23 122.400 122.400 119.457 2.943 17645
4966 1 13 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.015 0.172 17645
4967 1 13 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.664 -0.834 17645
4968 1 13 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.070 0.490 17645
4969 1 13 . 1 1 8 8 LYS H H 23 7.830 7.830 7.380 0.450 17645
4970 1 13 . 1 1 9 9 VAL N N 24 121.205 121.205 119.173 2.032 17645
4971 1 13 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645
4972 1 13 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.521 0.339 17645
4973 1 13 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.535 0.915 17645
4974 1 13 . 1 1 9 9 VAL H H 24 8.194 8.194 7.842 0.352 17645
4975 1 13 . 1 1 10 10 GLY N N 25 107.900 107.900 106.624 1.276 17645
4976 1 13 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.534 0.126 17645
4977 1 13 . 1 1 10 10 GLY H H 25 8.446 8.446 8.442 0.004 17645
4978 1 13 . 1 1 11 11 THR N N 26 116.800 116.800 119.371 -2.571 17645
4979 1 13 . 1 1 11 11 THR HA H 26 4.109 4.109 3.977 0.132 17645
4980 1 13 . 1 1 11 11 THR CA C 26 66.300 66.300 66.200 0.100 17645
4981 1 13 . 1 1 11 11 THR CB C 26 69.690 69.690 68.330 1.360 17645
4982 1 13 . 1 1 11 11 THR H H 26 7.992 7.992 7.913 0.079 17645
4983 1 13 . 1 1 12 12 LEU N N 27 123.983 123.983 122.626 1.357 17645
4984 1 13 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.998 0.129 17645
4985 1 13 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.933 0.537 17645
4986 1 13 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.578 1.232 17645
4987 1 13 . 1 1 12 12 LEU H H 27 7.934 7.934 8.080 -0.146 17645
4988 1 13 . 1 1 13 13 LYS N N 28 117.513 117.513 118.985 -1.472 17645
4989 1 13 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.852 0.051 17645
4990 1 13 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.715 0.435 17645
4991 1 13 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.024 0.706 17645
4992 1 13 . 1 1 13 13 LYS H H 28 7.824 7.824 7.812 0.012 17645
4993 1 13 . 1 1 14 14 LYS N N 29 119.275 119.275 119.092 0.183 17645
4994 1 13 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.979 0.172 17645
4995 1 13 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.313 0.147 17645
4996 1 13 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.167 0.583 17645
4997 1 13 . 1 1 14 14 LYS H H 29 7.685 7.685 7.693 -0.008 17645
4998 1 13 . 1 1 15 15 ARG N N 30 119.090 119.090 120.546 -1.456 17645
4999 1 13 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.732 0.328 17645
5000 1 13 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.021 0.009 17645
5001 1 13 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.824 0.686 17645
5002 1 13 . 1 1 15 15 ARG H H 30 7.709 7.709 7.530 0.179 17645
5003 1 13 . 1 1 16 16 LEU N N 31 118.473 118.473 120.874 -2.401 17645
5004 1 13 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.964 0.013 17645
5005 1 13 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.127 -0.047 17645
5006 1 13 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.727 -0.408 17645
5007 1 13 . 1 1 16 16 LEU H H 31 7.595 7.595 8.186 -0.591 17645
5008 1 13 . 1 1 17 17 ASP N N 32 120.020 120.020 118.766 1.254 17645
5009 1 13 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.261 0.178 17645
5010 1 13 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.641 0.339 17645
5011 1 13 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.327 0.554 17645
5012 1 13 . 1 1 17 17 ASP H H 32 7.858 7.858 7.778 0.080 17645
5013 1 13 . 1 1 18 18 LYS N N 33 119.708 119.708 120.519 -0.811 17645
5014 1 13 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.970 0.228 17645
5015 1 13 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.732 -0.262 17645
5016 1 13 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.708 0.482 17645
5017 1 13 . 1 1 18 18 LYS H H 33 7.564 7.564 7.380 0.184 17645
5018 1 13 . 1 1 19 19 PHE N N 34 118.256 118.256 117.568 0.688 17645
5019 1 13 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.205 0.046 17645
5020 1 13 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.164 0.546 17645
5021 1 13 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.710 1.040 17645
5022 1 13 . 1 1 19 19 PHE H H 34 7.884 7.884 7.356 0.528 17645
5023 1 13 . 1 1 20 20 ASN N N 35 117.779 117.779 117.950 -0.171 17645
5024 1 13 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.415 0.045 17645
5025 1 13 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.992 0.358 17645
5026 1 13 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.184 0.816 17645
5027 1 13 . 1 1 20 20 ASN H H 35 8.054 8.054 7.973 0.081 17645
5028 1 13 . 1 1 21 21 GLU N N 36 120.312 120.312 120.660 -0.348 17645
5029 1 13 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.071 0.035 17645
5030 1 13 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.718 0.052 17645
5031 1 13 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.735 0.775 17645
5032 1 13 . 1 1 21 21 GLU H H 36 7.983 7.983 7.792 0.191 17645
5033 1 13 . 1 1 22 22 VAL N N 37 119.756 119.756 119.297 0.459 17645
5034 1 13 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.759 0.083 17645
5035 1 13 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.363 -0.253 17645
5036 1 13 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.434 1.246 17645
5037 1 13 . 1 1 22 22 VAL H H 37 7.670 7.670 7.950 -0.280 17645
5038 1 13 . 1 1 23 23 VAL N N 38 118.300 118.300 118.429 -0.129 17645
5039 1 13 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.846 -0.169 17645
5040 1 13 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.576 1.974 17645
5041 1 13 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.804 1.676 17645
5042 1 13 . 1 1 23 23 VAL H H 38 8.159 8.159 8.467 -0.308 17645
5043 1 13 . 1 1 24 24 SER N N 39 113.952 113.952 116.715 -2.763 17645
5044 1 13 . 1 1 24 24 SER HA H 39 4.170 4.170 4.063 0.107 17645
5045 1 13 . 1 1 24 24 SER CA C 39 61.880 61.880 61.032 0.848 17645
5046 1 13 . 1 1 24 24 SER CB C 39 63.740 63.740 63.015 0.725 17645
5047 1 13 . 1 1 24 24 SER H H 39 7.773 7.773 8.371 -0.598 17645
5048 1 13 . 1 1 25 25 ALA N N 40 122.572 122.572 121.803 0.769 17645
5049 1 13 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.181 0.244 17645
5050 1 13 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.963 -1.083 17645
5051 1 13 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.080 1.370 17645
5052 1 13 . 1 1 25 25 ALA H H 40 7.436 7.436 7.698 -0.262 17645
5053 1 13 . 1 1 26 26 LEU N N 41 120.677 120.677 114.329 6.348 17645
5054 1 13 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.668 -0.287 17645
5055 1 13 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.832 2.028 17645
5056 1 13 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.501 1.689 17645
5057 1 13 . 1 1 26 26 LEU H H 41 7.499 7.499 7.382 0.117 17645
5058 1 13 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.959 0.326 17645
5059 1 13 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.678 -0.428 17645
5060 1 13 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.439 1.431 17645
5061 1 13 . 1 1 28 28 ASP N N 43 120.989 120.989 117.948 3.041 17645
5062 1 13 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.439 0.362 17645
5063 1 13 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.404 -0.844 17645
5064 1 13 . 1 1 28 28 ASP CB C 43 43.440 43.440 39.987 3.453 17645
5065 1 13 . 1 1 28 28 ASP H H 43 8.513 8.513 7.923 0.590 17645
5066 1 13 . 1 1 29 29 GLY N N 44 108.379 108.379 113.395 -5.016 17645
5067 1 13 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.210 1.330 17645
5068 1 13 . 1 1 29 29 GLY H H 44 8.425 8.425 8.318 0.107 17645
5069 1 13 . 1 1 30 30 LYS N N 45 119.932 119.932 120.512 -0.580 17645
5070 1 13 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.418 -0.339 17645
5071 1 13 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.072 1.448 17645
5072 1 13 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.981 0.089 17645
5073 1 13 . 1 1 30 30 LYS H H 45 8.269 8.269 7.858 0.411 17645
5074 1 13 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.185 0.123 17645
5075 1 13 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.033 1.007 17645
5076 1 13 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.232 0.588 17645
5077 1 13 . 1 1 32 32 GLU N N 47 118.526 118.526 117.721 0.805 17645
5078 1 13 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.011 0.122 17645
5079 1 13 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.505 0.665 17645
5080 1 13 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.357 0.553 17645
5081 1 13 . 1 1 32 32 GLU H H 47 8.189 8.189 8.329 -0.140 17645
5082 1 13 . 1 1 33 33 VAL N N 48 120.183 120.183 119.503 0.680 17645
5083 1 13 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.580 0.332 17645
5084 1 13 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.979 0.321 17645
5085 1 13 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.162 1.198 17645
5086 1 13 . 1 1 33 33 VAL H H 48 7.744 7.744 7.421 0.323 17645
5087 1 13 . 1 1 34 34 ASN N N 49 119.700 119.700 117.465 2.235 17645
5088 1 13 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.386 0.064 17645
5089 1 13 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.487 0.563 17645
5090 1 13 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.290 0.360 17645
5091 1 13 . 1 1 34 34 ASN H H 49 8.582 8.582 8.488 0.094 17645
5092 1 13 . 1 1 35 35 ARG N N 50 121.009 121.009 121.098 -0.089 17645
5093 1 13 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.025 0.112 17645
5094 1 13 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.615 0.155 17645
5095 1 13 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.220 0.550 17645
5096 1 13 . 1 1 35 35 ARG H H 50 7.848 7.848 7.835 0.013 17645
5097 1 13 . 1 1 36 36 GLN N N 51 119.394 119.394 119.372 0.022 17645
5098 1 13 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.091 -0.028 17645
5099 1 13 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.078 0.932 17645
5100 1 13 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.893 0.877 17645
5101 1 13 . 1 1 36 36 GLN H H 51 7.685 7.685 7.719 -0.034 17645
5102 1 13 . 1 1 37 37 ILE N N 52 122.006 122.006 119.618 2.388 17645
5103 1 13 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.670 -0.216 17645
5104 1 13 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.119 1.181 17645
5105 1 13 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.570 1.330 17645
5106 1 13 . 1 1 37 37 ILE H H 52 8.293 8.293 8.849 -0.556 17645
5107 1 13 . 1 1 38 38 LYS N N 53 121.163 121.163 121.088 0.075 17645
5108 1 13 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.007 0.164 17645
5109 1 13 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.836 -0.786 17645
5110 1 13 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.339 -0.409 17645
5111 1 13 . 1 1 38 38 LYS H H 53 8.169 8.169 7.819 0.350 17645
5112 1 13 . 1 1 39 39 ASN N N 54 117.219 117.219 118.601 -1.382 17645
5113 1 13 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.388 0.095 17645
5114 1 13 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.151 0.459 17645
5115 1 13 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.015 0.425 17645
5116 1 13 . 1 1 39 39 ASN H H 54 8.171 8.171 7.862 0.309 17645
5117 1 13 . 1 1 40 40 LEU N N 55 123.907 123.907 121.014 2.893 17645
5118 1 13 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.042 0.163 17645
5119 1 13 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.901 -0.062 17645
5120 1 13 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.722 0.348 17645
5121 1 13 . 1 1 40 40 LEU H H 55 7.702 7.702 8.067 -0.365 17645
5122 1 13 . 1 1 41 41 GLU N N 56 121.779 121.779 120.236 1.543 17645
5123 1 13 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.964 -0.262 17645
5124 1 13 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.897 1.553 17645
5125 1 13 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.724 0.606 17645
5126 1 13 . 1 1 41 41 GLU H H 56 8.442 8.442 7.829 0.613 17645
5127 1 13 . 1 1 42 42 ILE N N 57 119.133 119.133 120.014 -0.881 17645
5128 1 13 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.719 0.164 17645
5129 1 13 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.254 0.296 17645
5130 1 13 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.893 1.057 17645
5131 1 13 . 1 1 42 42 ILE H H 57 8.531 8.531 8.428 0.103 17645
5132 1 13 . 1 1 43 43 SER N N 58 118.622 118.622 116.420 2.202 17645
5133 1 13 . 1 1 43 43 SER HA H 58 4.322 4.322 4.102 0.220 17645
5134 1 13 . 1 1 43 43 SER CA C 58 62.940 62.940 62.588 0.352 17645
5135 1 13 . 1 1 43 43 SER CB C 58 63.500 63.500 63.080 0.420 17645
5136 1 13 . 1 1 43 43 SER H H 58 8.027 8.027 7.895 0.132 17645
5137 1 13 . 1 1 44 44 ILE N N 59 126.416 126.416 122.139 4.277 17645
5138 1 13 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.647 -0.019 17645
5139 1 13 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.718 1.192 17645
5140 1 13 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.645 1.515 17645
5141 1 13 . 1 1 44 44 ILE H H 59 8.543 8.543 8.657 -0.114 17645
5142 1 13 . 1 1 45 45 ASP N N 60 121.563 121.563 119.681 1.882 17645
5143 1 13 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.308 0.099 17645
5144 1 13 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.837 0.443 17645
5145 1 13 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.646 0.114 17645
5146 1 13 . 1 1 45 45 ASP H H 60 8.406 8.406 7.997 0.409 17645
5147 1 13 . 1 1 46 46 ALA N N 61 123.500 123.500 122.713 0.787 17645
5148 1 13 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.061 0.141 17645
5149 1 13 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.099 0.611 17645
5150 1 13 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.438 0.222 17645
5151 1 13 . 1 1 46 46 ALA H H 61 8.538 8.538 7.977 0.561 17645
5152 1 13 . 1 1 47 47 LEU N N 62 121.942 121.942 120.071 1.871 17645
5153 1 13 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.934 0.360 17645
5154 1 13 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.593 0.067 17645
5155 1 13 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.860 -0.720 17645
5156 1 13 . 1 1 47 47 LEU H H 62 7.801 7.801 7.786 0.015 17645
5157 1 13 . 1 1 48 48 MET N N 63 118.068 118.068 118.670 -0.602 17645
5158 1 13 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645
5159 1 13 . 1 1 48 48 MET CA C 63 60.330 60.330 59.285 1.045 17645
5160 1 13 . 1 1 48 48 MET CB C 63 33.110 33.110 32.460 0.650 17645
5161 1 13 . 1 1 48 48 MET H H 63 8.261 8.261 7.819 0.442 17645
5162 1 13 . 1 1 49 49 ALA N N 64 120.428 120.428 117.996 2.432 17645
5163 1 13 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.017 0.084 17645
5164 1 13 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.787 0.983 17645
5165 1 13 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.292 0.478 17645
5166 1 13 . 1 1 49 49 ALA H H 64 8.045 8.045 7.844 0.201 17645
5167 1 13 . 1 1 50 50 LYS N N 65 121.947 121.947 117.578 4.369 17645
5168 1 13 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.215 -0.176 17645
5169 1 13 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.771 1.749 17645
5170 1 13 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.664 1.016 17645
5171 1 13 . 1 1 50 50 LYS H H 65 8.063 8.063 7.712 0.351 17645
5172 1 13 . 1 1 51 51 ILE N N 66 121.189 121.189 119.055 2.134 17645
5173 1 13 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.930 -0.180 17645
5174 1 13 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.242 2.498 17645
5175 1 13 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.133 1.987 17645
5176 1 13 . 1 1 51 51 ILE H H 66 8.437 8.437 8.350 0.087 17645
5177 1 13 . 1 1 52 52 LYS N N 67 117.119 117.119 118.139 -1.020 17645
5178 1 13 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.372 -0.236 17645
5179 1 13 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.499 2.711 17645
5180 1 13 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.021 0.659 17645
5181 1 13 . 1 1 52 52 LYS H H 67 7.622 7.622 7.768 -0.146 17645
5182 1 13 . 1 1 53 53 SER N N 68 111.824 111.824 113.305 -1.481 17645
5183 1 13 . 1 1 53 53 SER HA H 68 4.602 4.602 4.647 -0.045 17645
5184 1 13 . 1 1 53 53 SER CA C 68 59.960 59.960 58.452 1.508 17645
5185 1 13 . 1 1 53 53 SER CB C 68 65.750 65.750 64.084 1.666 17645
5186 1 13 . 1 1 53 53 SER H H 68 7.750 7.750 7.537 0.213 17645
5187 1 13 . 1 1 54 54 THR N N 69 115.916 115.916 112.902 3.014 17645
5188 1 13 . 1 1 54 54 THR HA H 69 4.596 4.596 4.453 0.143 17645
5189 1 13 . 1 1 54 54 THR CA C 69 62.460 62.460 61.422 1.038 17645
5190 1 13 . 1 1 54 54 THR CB C 69 71.650 71.650 70.056 1.594 17645
5191 1 13 . 1 1 54 54 THR H H 69 7.972 7.972 7.623 0.349 17645
5192 1 13 . 1 1 55 55 MET N N 70 121.343 121.343 123.037 -1.694 17645
5193 1 13 . 1 1 55 55 MET HA H 70 4.551 4.551 4.624 -0.073 17645
5194 1 13 . 1 1 55 55 MET CA C 70 56.050 56.050 54.314 1.736 17645
5195 1 13 . 1 1 55 55 MET CB C 70 32.500 32.500 31.655 0.845 17645
5196 1 13 . 1 1 55 55 MET H H 70 8.306 8.306 8.769 -0.463 17645
5197 1 13 . 1 1 56 56 MET N N 71 123.196 123.196 121.309 1.887 17645
5198 1 13 . 1 1 56 56 MET HA H 71 4.706 4.706 4.249 0.457 17645
5199 1 13 . 1 1 56 56 MET CA C 71 55.860 55.860 56.732 -0.872 17645
5200 1 13 . 1 1 56 56 MET CB C 71 37.620 37.620 33.199 4.421 17645
5201 1 13 . 1 1 56 56 MET H H 71 8.114 8.114 7.508 0.606 17645
5202 1 13 . 1 1 57 57 THR N N 72 113.158 113.158 118.667 -5.509 17645
5203 1 13 . 1 1 57 57 THR HA H 72 4.483 4.483 4.434 0.049 17645
5204 1 13 . 1 1 57 57 THR CA C 72 61.080 61.080 62.357 -1.277 17645
5205 1 13 . 1 1 57 57 THR CB C 72 71.670 71.670 70.145 1.525 17645
5206 1 13 . 1 1 57 57 THR H H 72 8.486 8.486 8.443 0.043 17645
5207 1 13 . 1 1 58 58 ARG N N 73 121.911 121.911 124.954 -3.043 17645
5208 1 13 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.993 -0.084 17645
5209 1 13 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.537 0.983 17645
5210 1 13 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.705 0.625 17645
5211 1 13 . 1 1 58 58 ARG H H 73 8.961 8.961 8.783 0.178 17645
5212 1 13 . 1 1 59 59 GLU N N 74 118.955 118.955 118.543 0.412 17645
5213 1 13 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.003 0.029 17645
5214 1 13 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.188 0.702 17645
5215 1 13 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.112 0.848 17645
5216 1 13 . 1 1 59 59 GLU H H 74 8.833 8.833 8.831 0.002 17645
5217 1 13 . 1 1 60 60 GLN N N 75 121.077 121.077 118.502 2.575 17645
5218 1 13 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.117 -0.127 17645
5219 1 13 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.597 0.803 17645
5220 1 13 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.644 0.746 17645
5221 1 13 . 1 1 60 60 GLN H H 75 7.801 7.801 7.617 0.184 17645
5222 1 13 . 1 1 61 61 ILE N N 76 120.016 120.016 119.082 0.934 17645
5223 1 13 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.878 -0.449 17645
5224 1 13 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.357 3.503 17645
5225 1 13 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.718 1.992 17645
5226 1 13 . 1 1 61 61 ILE H H 76 8.250 8.250 7.630 0.620 17645
5227 1 13 . 1 1 62 62 GLN N N 77 119.153 119.153 120.408 -1.255 17645
5228 1 13 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.006 -0.239 17645
5229 1 13 . 1 1 62 62 GLN CA C 77 59.770 59.770 58.904 0.866 17645
5230 1 13 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.203 0.878 17645
5231 1 13 . 1 1 62 62 GLN H H 77 8.295 8.295 8.278 0.017 17645
5232 1 13 . 1 1 63 63 LYS N N 78 118.200 118.200 120.003 -1.803 17645
5233 1 13 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.008 0.146 17645
5234 1 13 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.483 0.667 17645
5235 1 13 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.316 0.994 17645
5236 1 13 . 1 1 63 63 LYS H H 78 7.839 7.839 7.803 0.036 17645
5237 1 13 . 1 1 64 64 GLU N N 79 120.133 120.133 119.239 0.894 17645
5238 1 13 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.993 0.149 17645
5239 1 13 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.836 0.494 17645
5240 1 13 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.601 1.009 17645
5241 1 13 . 1 1 64 64 GLU H H 79 7.899 7.899 8.015 -0.116 17645
5242 1 13 . 1 1 65 65 TYR N N 80 122.505 122.505 119.213 3.292 17645
5243 1 13 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.216 -0.274 17645
5244 1 13 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.726 1.034 17645
5245 1 13 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.491 0.979 17645
5246 1 13 . 1 1 65 65 TYR H H 80 9.023 9.023 8.038 0.985 17645
5247 1 13 . 1 1 66 66 ASP N N 81 120.497 120.497 119.409 1.088 17645
5248 1 13 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.324 -0.107 17645
5249 1 13 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.617 0.483 17645
5250 1 13 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.718 -0.078 17645
5251 1 13 . 1 1 66 66 ASP H H 81 9.089 9.089 7.823 1.266 17645
5252 1 13 . 1 1 67 67 ALA N N 82 122.397 122.397 122.354 0.043 17645
5253 1 13 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.009 0.178 17645
5254 1 13 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.271 0.559 17645
5255 1 13 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.618 0.302 17645
5256 1 13 . 1 1 67 67 ALA H H 82 7.636 7.636 8.277 -0.641 17645
5257 1 13 . 1 1 68 68 LEU N N 83 121.806 121.806 118.124 3.682 17645
5258 1 13 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.061 0.084 17645
5259 1 13 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.601 0.679 17645
5260 1 13 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.747 1.113 17645
5261 1 13 . 1 1 68 68 LEU H H 83 7.727 7.727 7.665 0.062 17645
5262 1 13 . 1 1 69 69 VAL N N 84 123.560 123.560 120.245 3.315 17645
5263 1 13 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.597 -0.292 17645
5264 1 13 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.598 1.442 17645
5265 1 13 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.804 1.386 17645
5266 1 13 . 1 1 69 69 VAL H H 84 8.560 8.560 7.757 0.803 17645
5267 1 13 . 1 1 70 70 LYS N N 85 121.398 121.398 120.619 0.779 17645
5268 1 13 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.045 0.047 17645
5269 1 13 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.889 0.361 17645
5270 1 13 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.200 0.560 17645
5271 1 13 . 1 1 70 70 LYS H H 85 7.956 7.956 8.496 -0.540 17645
5272 1 13 . 1 1 71 71 SER N N 86 114.825 114.825 116.188 -1.363 17645
5273 1 13 . 1 1 71 71 SER HA H 86 4.298 4.298 4.176 0.122 17645
5274 1 13 . 1 1 71 71 SER CA C 86 62.810 62.810 61.286 1.524 17645
5275 1 13 . 1 1 71 71 SER CB C 86 63.640 63.640 63.009 0.631 17645
5276 1 13 . 1 1 71 71 SER H H 86 8.284 8.284 7.932 0.352 17645
5277 1 13 . 1 1 72 72 SER N N 87 118.845 118.845 116.990 1.855 17645
5278 1 13 . 1 1 72 72 SER HA H 87 4.269 4.269 4.007 0.262 17645
5279 1 13 . 1 1 72 72 SER CA C 87 62.940 62.940 61.184 1.756 17645
5280 1 13 . 1 1 72 72 SER CB C 87 63.870 63.870 62.853 1.017 17645
5281 1 13 . 1 1 72 72 SER H H 87 8.421 8.421 8.226 0.195 17645
5282 1 13 . 1 1 73 73 GLU N N 88 124.809 124.809 120.669 4.140 17645
5283 1 13 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.891 0.161 17645
5284 1 13 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.957 0.273 17645
5285 1 13 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.462 0.768 17645
5286 1 13 . 1 1 73 73 GLU H H 88 8.376 8.376 7.885 0.491 17645
5287 1 13 . 1 1 74 74 ASP N N 89 122.193 122.193 119.356 2.837 17645
5288 1 13 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.451 -0.040 17645
5289 1 13 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.655 1.255 17645
5290 1 13 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.789 -0.209 17645
5291 1 13 . 1 1 74 74 ASP H H 89 8.734 8.734 7.793 0.941 17645
5292 1 13 . 1 1 75 75 LEU N N 90 123.280 123.280 121.505 1.775 17645
5293 1 13 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.052 0.238 17645
5294 1 13 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.449 1.111 17645
5295 1 13 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.053 -0.023 17645
5296 1 13 . 1 1 75 75 LEU H H 90 7.986 7.986 7.066 0.920 17645
5297 1 13 . 1 1 76 76 LEU N N 91 120.488 120.488 119.004 1.484 17645
5298 1 13 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.748 0.090 17645
5299 1 13 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.370 0.830 17645
5300 1 13 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.002 0.508 17645
5301 1 13 . 1 1 76 76 LEU H H 91 8.280 8.280 8.115 0.165 17645
5302 1 13 . 1 1 77 77 SER N N 92 113.817 113.817 114.840 -1.023 17645
5303 1 13 . 1 1 77 77 SER HA H 92 4.235 4.235 4.105 0.130 17645
5304 1 13 . 1 1 77 77 SER CA C 92 62.200 62.200 61.803 0.397 17645
5305 1 13 . 1 1 77 77 SER CB C 92 63.440 63.440 62.685 0.755 17645
5306 1 13 . 1 1 77 77 SER H H 92 8.219 8.219 7.939 0.280 17645
5307 1 13 . 1 1 78 78 ALA N N 93 124.902 124.902 123.993 0.909 17645
5308 1 13 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.055 0.111 17645
5309 1 13 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.759 1.101 17645
5310 1 13 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.440 0.320 17645
5311 1 13 . 1 1 78 78 ALA H H 93 7.949 7.949 7.706 0.243 17645
5312 1 13 . 1 1 79 79 LEU N N 94 120.602 120.602 120.731 -0.129 17645
5313 1 13 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.881 0.186 17645
5314 1 13 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.481 -0.011 17645
5315 1 13 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.877 0.733 17645
5316 1 13 . 1 1 79 79 LEU H H 94 8.587 8.587 8.120 0.467 17645
5317 1 13 . 1 1 80 80 GLN N N 95 119.525 119.525 117.903 1.622 17645
5318 1 13 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.892 0.156 17645
5319 1 13 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.670 -0.080 17645
5320 1 13 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.613 0.227 17645
5321 1 13 . 1 1 80 80 GLN H H 95 8.561 8.561 8.401 0.160 17645
5322 1 13 . 1 1 81 81 LYS N N 96 121.075 121.075 118.271 2.804 17645
5323 1 13 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.994 0.143 17645
5324 1 13 . 1 1 81 81 LYS CA C 96 60.050 60.050 58.897 1.153 17645
5325 1 13 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.991 0.949 17645
5326 1 13 . 1 1 81 81 LYS H H 96 8.003 8.003 7.773 0.230 17645
5327 1 13 . 1 1 82 82 LYS N N 97 121.415 121.415 120.485 0.930 17645
5328 1 13 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.927 0.198 17645
5329 1 13 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.157 -0.187 17645
5330 1 13 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.285 0.835 17645
5331 1 13 . 1 1 82 82 LYS H H 97 7.903 7.903 7.832 0.071 17645
5332 1 13 . 1 1 83 83 LYS N N 98 121.081 121.081 118.983 2.098 17645
5333 1 13 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.057 -0.075 17645
5334 1 13 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.303 0.706 17645
5335 1 13 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.246 0.874 17645
5336 1 13 . 1 1 83 83 LYS H H 98 8.202 8.202 7.687 0.515 17645
5337 1 13 . 1 1 84 84 GLN N N 99 119.576 119.576 117.238 2.338 17645
5338 1 13 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.125 -0.001 17645
5339 1 13 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.106 1.704 17645
5340 1 13 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.493 0.467 17645
5341 1 13 . 1 1 84 84 GLN H H 99 8.125 8.125 7.884 0.241 17645
5342 1 13 . 1 1 85 85 GLN N N 100 120.009 120.009 117.390 2.619 17645
5343 1 13 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.120 0.001 17645
5344 1 13 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.057 2.533 17645
5345 1 13 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.514 -0.494 17645
5346 1 13 . 1 1 85 85 GLN H H 100 8.341 8.341 7.690 0.651 17645
5347 1 13 . 1 1 86 86 GLU N N 101 121.718 121.718 116.212 5.506 17645
5348 1 13 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.998 0.137 17645
5349 1 13 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.313 3.117 17645
5350 1 13 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.671 0.469 17645
5351 1 13 . 1 1 86 86 GLU H H 101 8.275 8.275 7.932 0.343 17645
5352 1 13 . 1 1 87 87 GLU N N 102 121.412 121.412 121.017 0.395 17645
5353 1 13 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.154 -0.038 17645
5354 1 13 . 1 1 87 87 GLU CA C 102 59.960 59.960 58.496 1.464 17645
5355 1 13 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.159 0.131 17645
5356 1 13 . 1 1 87 87 GLU H H 102 8.330 8.330 8.638 -0.308 17645
5357 1 14 . 1 1 2 2 GLY N N 17 110.356 110.356 110.291 0.065 17645
5358 1 14 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.044 0.566 17645
5359 1 14 . 1 1 2 2 GLY H H 17 8.065 8.065 8.076 -0.011 17645
5360 1 14 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.536 -0.143 17645
5361 1 14 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.424 1.246 17645
5362 1 14 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.244 0.456 17645
5363 1 14 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.540 1.190 17645
5364 1 14 . 1 1 5 5 SER HA H 20 4.192 4.192 4.498 -0.306 17645
5365 1 14 . 1 1 5 5 SER CA C 20 60.960 60.960 58.741 2.219 17645
5366 1 14 . 1 1 5 5 SER CB C 20 64.250 64.250 63.701 0.549 17645
5367 1 14 . 1 1 6 6 LEU N N 21 122.731 122.731 124.930 -2.199 17645
5368 1 14 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.096 0.024 17645
5369 1 14 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.602 -0.882 17645
5370 1 14 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.960 1.010 17645
5371 1 14 . 1 1 6 6 LEU H H 21 8.052 8.052 7.570 0.482 17645
5372 1 14 . 1 1 7 7 VAL N N 22 119.948 119.948 119.165 0.783 17645
5373 1 14 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.493 0.260 17645
5374 1 14 . 1 1 7 7 VAL CA C 22 65.350 65.350 68.141 -2.791 17645
5375 1 14 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.343 1.257 17645
5376 1 14 . 1 1 7 7 VAL H H 22 7.676 7.676 7.663 0.013 17645
5377 1 14 . 1 1 8 8 LYS N N 23 122.400 122.400 119.392 3.008 17645
5378 1 14 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.123 0.064 17645
5379 1 14 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.656 -0.826 17645
5380 1 14 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.076 0.484 17645
5381 1 14 . 1 1 8 8 LYS H H 23 7.830 7.830 8.079 -0.249 17645
5382 1 14 . 1 1 9 9 VAL N N 24 121.205 121.205 118.350 2.855 17645
5383 1 14 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.614 0.212 17645
5384 1 14 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.036 -0.176 17645
5385 1 14 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.264 1.186 17645
5386 1 14 . 1 1 9 9 VAL H H 24 8.194 8.194 7.679 0.515 17645
5387 1 14 . 1 1 10 10 GLY N N 25 107.900 107.900 106.851 1.049 17645
5388 1 14 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.479 0.181 17645
5389 1 14 . 1 1 10 10 GLY H H 25 8.446 8.446 8.198 0.248 17645
5390 1 14 . 1 1 11 11 THR N N 26 116.800 116.800 119.125 -2.325 17645
5391 1 14 . 1 1 11 11 THR HA H 26 4.109 4.109 3.840 0.269 17645
5392 1 14 . 1 1 11 11 THR CA C 26 66.300 66.300 66.682 -0.382 17645
5393 1 14 . 1 1 11 11 THR CB C 26 69.690 69.690 68.578 1.112 17645
5394 1 14 . 1 1 11 11 THR H H 26 7.992 7.992 8.193 -0.201 17645
5395 1 14 . 1 1 12 12 LEU N N 27 123.983 123.983 122.757 1.226 17645
5396 1 14 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.877 0.249 17645
5397 1 14 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.758 0.712 17645
5398 1 14 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.491 1.319 17645
5399 1 14 . 1 1 12 12 LEU H H 27 7.934 7.934 8.150 -0.216 17645
5400 1 14 . 1 1 13 13 LYS N N 28 117.513 117.513 117.875 -0.362 17645
5401 1 14 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.738 0.165 17645
5402 1 14 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.864 0.286 17645
5403 1 14 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.121 0.609 17645
5404 1 14 . 1 1 13 13 LYS H H 28 7.824 7.824 7.773 0.051 17645
5405 1 14 . 1 1 14 14 LYS N N 29 119.275 119.275 118.297 0.978 17645
5406 1 14 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.909 0.242 17645
5407 1 14 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.714 -0.254 17645
5408 1 14 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.029 0.721 17645
5409 1 14 . 1 1 14 14 LYS H H 29 7.685 7.685 7.612 0.073 17645
5410 1 14 . 1 1 15 15 ARG N N 30 119.090 119.090 119.480 -0.390 17645
5411 1 14 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.779 0.281 17645
5412 1 14 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.579 0.451 17645
5413 1 14 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.279 1.231 17645
5414 1 14 . 1 1 15 15 ARG H H 30 7.709 7.709 7.288 0.421 17645
5415 1 14 . 1 1 16 16 LEU N N 31 118.473 118.473 119.810 -1.337 17645
5416 1 14 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.855 0.122 17645
5417 1 14 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.558 -0.478 17645
5418 1 14 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.740 -0.420 17645
5419 1 14 . 1 1 16 16 LEU H H 31 7.595 7.595 7.614 -0.019 17645
5420 1 14 . 1 1 17 17 ASP N N 32 120.020 120.020 118.836 1.184 17645
5421 1 14 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.215 0.224 17645
5422 1 14 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.841 0.139 17645
5423 1 14 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.260 0.620 17645
5424 1 14 . 1 1 17 17 ASP H H 32 7.858 7.858 7.732 0.126 17645
5425 1 14 . 1 1 18 18 LYS N N 33 119.708 119.708 120.704 -0.996 17645
5426 1 14 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.988 0.210 17645
5427 1 14 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.673 -0.203 17645
5428 1 14 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.742 0.448 17645
5429 1 14 . 1 1 18 18 LYS H H 33 7.564 7.564 7.499 0.065 17645
5430 1 14 . 1 1 19 19 PHE N N 34 118.256 118.256 117.796 0.460 17645
5431 1 14 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.175 0.076 17645
5432 1 14 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.197 0.513 17645
5433 1 14 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.603 1.147 17645
5434 1 14 . 1 1 19 19 PHE H H 34 7.884 7.884 7.256 0.628 17645
5435 1 14 . 1 1 20 20 ASN N N 35 117.779 117.779 117.608 0.171 17645
5436 1 14 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.390 0.070 17645
5437 1 14 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.769 0.581 17645
5438 1 14 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.946 1.054 17645
5439 1 14 . 1 1 20 20 ASN H H 35 8.054 8.054 8.028 0.026 17645
5440 1 14 . 1 1 21 21 GLU N N 36 120.312 120.312 120.612 -0.300 17645
5441 1 14 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.075 0.031 17645
5442 1 14 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.635 0.135 17645
5443 1 14 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.689 0.821 17645
5444 1 14 . 1 1 21 21 GLU H H 36 7.983 7.983 7.745 0.238 17645
5445 1 14 . 1 1 22 22 VAL N N 37 119.756 119.756 119.702 0.054 17645
5446 1 14 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.781 0.061 17645
5447 1 14 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.934 0.176 17645
5448 1 14 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.950 1.730 17645
5449 1 14 . 1 1 22 22 VAL H H 37 7.670 7.670 7.887 -0.217 17645
5450 1 14 . 1 1 23 23 VAL N N 38 118.300 118.300 120.314 -2.014 17645
5451 1 14 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.670 0.007 17645
5452 1 14 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.348 0.202 17645
5453 1 14 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.425 2.055 17645
5454 1 14 . 1 1 23 23 VAL H H 38 8.159 8.159 8.611 -0.452 17645
5455 1 14 . 1 1 24 24 SER N N 39 113.952 113.952 116.135 -2.183 17645
5456 1 14 . 1 1 24 24 SER HA H 39 4.170 4.170 4.285 -0.115 17645
5457 1 14 . 1 1 24 24 SER CA C 39 61.880 61.880 61.624 0.256 17645
5458 1 14 . 1 1 24 24 SER CB C 39 63.740 63.740 63.108 0.632 17645
5459 1 14 . 1 1 24 24 SER H H 39 7.773 7.773 8.092 -0.319 17645
5460 1 14 . 1 1 25 25 ALA N N 40 122.572 122.572 122.780 -0.208 17645
5461 1 14 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.344 0.081 17645
5462 1 14 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.508 -1.627 17645
5463 1 14 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.203 1.247 17645
5464 1 14 . 1 1 25 25 ALA H H 40 7.436 7.436 7.648 -0.212 17645
5465 1 14 . 1 1 26 26 LEU N N 41 120.677 120.677 114.030 6.647 17645
5466 1 14 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.417 -0.036 17645
5467 1 14 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.539 0.321 17645
5468 1 14 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.730 0.460 17645
5469 1 14 . 1 1 26 26 LEU H H 41 7.499 7.499 7.753 -0.254 17645
5470 1 14 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.001 0.284 17645
5471 1 14 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.454 0.796 17645
5472 1 14 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.076 3.794 17645
5473 1 14 . 1 1 28 28 ASP N N 43 120.989 120.989 122.136 -1.147 17645
5474 1 14 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.744 0.057 17645
5475 1 14 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.480 0.080 17645
5476 1 14 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.341 0.099 17645
5477 1 14 . 1 1 28 28 ASP H H 43 8.513 8.513 8.236 0.277 17645
5478 1 14 . 1 1 29 29 GLY N N 44 108.379 108.379 112.567 -4.188 17645
5479 1 14 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.482 1.058 17645
5480 1 14 . 1 1 29 29 GLY H H 44 8.425 8.425 8.635 -0.210 17645
5481 1 14 . 1 1 30 30 LYS N N 45 119.932 119.932 121.647 -1.715 17645
5482 1 14 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.202 -0.123 17645
5483 1 14 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.512 1.008 17645
5484 1 14 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.807 0.263 17645
5485 1 14 . 1 1 30 30 LYS H H 45 8.269 8.269 8.556 -0.287 17645
5486 1 14 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.302 0.006 17645
5487 1 14 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.322 0.718 17645
5488 1 14 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.946 0.874 17645
5489 1 14 . 1 1 32 32 GLU N N 47 118.526 118.526 117.837 0.689 17645
5490 1 14 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.049 0.084 17645
5491 1 14 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.293 0.877 17645
5492 1 14 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.531 1.379 17645
5493 1 14 . 1 1 32 32 GLU H H 47 8.189 8.189 8.750 -0.561 17645
5494 1 14 . 1 1 33 33 VAL N N 48 120.183 120.183 121.442 -1.259 17645
5495 1 14 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.772 0.140 17645
5496 1 14 . 1 1 33 33 VAL CA C 48 66.300 66.300 64.797 1.503 17645
5497 1 14 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.583 0.777 17645
5498 1 14 . 1 1 33 33 VAL H H 48 7.744 7.744 7.681 0.063 17645
5499 1 14 . 1 1 34 34 ASN N N 49 119.700 119.700 118.473 1.227 17645
5500 1 14 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.478 -0.028 17645
5501 1 14 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.147 0.903 17645
5502 1 14 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.213 0.437 17645
5503 1 14 . 1 1 34 34 ASN H H 49 8.582 8.582 8.665 -0.083 17645
5504 1 14 . 1 1 35 35 ARG N N 50 121.009 121.009 119.597 1.412 17645
5505 1 14 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.047 0.090 17645
5506 1 14 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.501 0.269 17645
5507 1 14 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.640 1.130 17645
5508 1 14 . 1 1 35 35 ARG H H 50 7.848 7.848 8.317 -0.469 17645
5509 1 14 . 1 1 36 36 GLN N N 51 119.394 119.394 119.442 -0.048 17645
5510 1 14 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.085 -0.022 17645
5511 1 14 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.928 1.082 17645
5512 1 14 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.083 0.687 17645
5513 1 14 . 1 1 36 36 GLN H H 51 7.685 7.685 7.692 -0.007 17645
5514 1 14 . 1 1 37 37 ILE N N 52 122.006 122.006 120.077 1.929 17645
5515 1 14 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.728 -0.274 17645
5516 1 14 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.275 1.025 17645
5517 1 14 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.437 1.463 17645
5518 1 14 . 1 1 37 37 ILE H H 52 8.293 8.293 8.847 -0.554 17645
5519 1 14 . 1 1 38 38 LYS N N 53 121.163 121.163 120.859 0.304 17645
5520 1 14 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.003 0.168 17645
5521 1 14 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.750 -0.700 17645
5522 1 14 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.218 -0.288 17645
5523 1 14 . 1 1 38 38 LYS H H 53 8.169 8.169 7.865 0.304 17645
5524 1 14 . 1 1 39 39 ASN N N 54 117.219 117.219 118.628 -1.409 17645
5525 1 14 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.415 0.068 17645
5526 1 14 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.106 0.504 17645
5527 1 14 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.956 0.484 17645
5528 1 14 . 1 1 39 39 ASN H H 54 8.171 8.171 7.865 0.306 17645
5529 1 14 . 1 1 40 40 LEU N N 55 123.907 123.907 120.754 3.153 17645
5530 1 14 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.917 0.288 17645
5531 1 14 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.398 0.442 17645
5532 1 14 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.303 0.767 17645
5533 1 14 . 1 1 40 40 LEU H H 55 7.702 7.702 7.999 -0.297 17645
5534 1 14 . 1 1 41 41 GLU N N 56 121.779 121.779 119.700 2.079 17645
5535 1 14 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.932 -0.230 17645
5536 1 14 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.882 1.568 17645
5537 1 14 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.796 0.534 17645
5538 1 14 . 1 1 41 41 GLU H H 56 8.442 8.442 7.842 0.600 17645
5539 1 14 . 1 1 42 42 ILE N N 57 119.133 119.133 119.675 -0.542 17645
5540 1 14 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.724 0.159 17645
5541 1 14 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.018 0.532 17645
5542 1 14 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.837 1.113 17645
5543 1 14 . 1 1 42 42 ILE H H 57 8.531 8.531 8.405 0.127 17645
5544 1 14 . 1 1 43 43 SER N N 58 118.622 118.622 116.564 2.058 17645
5545 1 14 . 1 1 43 43 SER HA H 58 4.322 4.322 4.045 0.277 17645
5546 1 14 . 1 1 43 43 SER CA C 58 62.940 62.940 62.055 0.885 17645
5547 1 14 . 1 1 43 43 SER CB C 58 63.500 63.500 63.128 0.372 17645
5548 1 14 . 1 1 43 43 SER H H 58 8.027 8.027 8.013 0.014 17645
5549 1 14 . 1 1 44 44 ILE N N 59 126.416 126.416 121.817 4.599 17645
5550 1 14 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.576 0.052 17645
5551 1 14 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.913 0.997 17645
5552 1 14 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.748 1.412 17645
5553 1 14 . 1 1 44 44 ILE H H 59 8.543 8.543 8.480 0.063 17645
5554 1 14 . 1 1 45 45 ASP N N 60 121.563 121.563 119.695 1.868 17645
5555 1 14 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.269 0.138 17645
5556 1 14 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.725 0.555 17645
5557 1 14 . 1 1 45 45 ASP CB C 60 40.760 40.760 41.075 -0.315 17645
5558 1 14 . 1 1 45 45 ASP H H 60 8.406 8.406 7.948 0.458 17645
5559 1 14 . 1 1 46 46 ALA N N 61 123.500 123.500 122.652 0.848 17645
5560 1 14 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645
5561 1 14 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.126 0.584 17645
5562 1 14 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.403 0.257 17645
5563 1 14 . 1 1 46 46 ALA H H 61 8.538 8.538 8.125 0.413 17645
5564 1 14 . 1 1 47 47 LEU N N 62 121.942 121.942 119.735 2.207 17645
5565 1 14 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.865 0.429 17645
5566 1 14 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.705 -0.045 17645
5567 1 14 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.840 -0.700 17645
5568 1 14 . 1 1 47 47 LEU H H 62 7.801 7.801 7.769 0.032 17645
5569 1 14 . 1 1 48 48 MET N N 63 118.068 118.068 118.502 -0.434 17645
5570 1 14 . 1 1 48 48 MET HA H 63 3.945 3.945 3.864 0.081 17645
5571 1 14 . 1 1 48 48 MET CA C 63 60.330 60.330 59.382 0.948 17645
5572 1 14 . 1 1 48 48 MET CB C 63 33.110 33.110 32.448 0.662 17645
5573 1 14 . 1 1 48 48 MET H H 63 8.261 8.261 7.779 0.482 17645
5574 1 14 . 1 1 49 49 ALA N N 64 120.428 120.428 117.914 2.514 17645
5575 1 14 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.080 0.021 17645
5576 1 14 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.560 1.210 17645
5577 1 14 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.299 0.471 17645
5578 1 14 . 1 1 49 49 ALA H H 64 8.045 8.045 7.718 0.327 17645
5579 1 14 . 1 1 50 50 LYS N N 65 121.947 121.947 116.715 5.232 17645
5580 1 14 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.253 -0.214 17645
5581 1 14 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.395 2.125 17645
5582 1 14 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.944 0.736 17645
5583 1 14 . 1 1 50 50 LYS H H 65 8.063 8.063 7.640 0.423 17645
5584 1 14 . 1 1 51 51 ILE N N 66 121.189 121.189 118.141 3.048 17645
5585 1 14 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.915 -0.165 17645
5586 1 14 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.988 2.752 17645
5587 1 14 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.418 1.702 17645
5588 1 14 . 1 1 51 51 ILE H H 66 8.437 8.437 8.248 0.189 17645
5589 1 14 . 1 1 52 52 LYS N N 67 117.119 117.119 117.881 -0.762 17645
5590 1 14 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.367 -0.231 17645
5591 1 14 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.451 2.759 17645
5592 1 14 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.075 0.605 17645
5593 1 14 . 1 1 52 52 LYS H H 67 7.622 7.622 7.766 -0.144 17645
5594 1 14 . 1 1 53 53 SER N N 68 111.824 111.824 113.637 -1.813 17645
5595 1 14 . 1 1 53 53 SER HA H 68 4.602 4.602 4.651 -0.049 17645
5596 1 14 . 1 1 53 53 SER CA C 68 59.960 59.960 58.657 1.303 17645
5597 1 14 . 1 1 53 53 SER CB C 68 65.750 65.750 64.193 1.557 17645
5598 1 14 . 1 1 53 53 SER H H 68 7.750 7.750 7.572 0.178 17645
5599 1 14 . 1 1 54 54 THR N N 69 115.916 115.916 113.497 2.419 17645
5600 1 14 . 1 1 54 54 THR HA H 69 4.596 4.596 4.554 0.042 17645
5601 1 14 . 1 1 54 54 THR CA C 69 62.460 62.460 61.676 0.784 17645
5602 1 14 . 1 1 54 54 THR CB C 69 71.650 71.650 70.014 1.636 17645
5603 1 14 . 1 1 54 54 THR H H 69 7.972 7.972 7.405 0.567 17645
5604 1 14 . 1 1 55 55 MET N N 70 121.343 121.343 120.905 0.438 17645
5605 1 14 . 1 1 55 55 MET HA H 70 4.551 4.551 4.655 -0.104 17645
5606 1 14 . 1 1 55 55 MET CA C 70 56.050 56.050 54.500 1.550 17645
5607 1 14 . 1 1 55 55 MET CB C 70 32.500 32.500 32.982 -0.482 17645
5608 1 14 . 1 1 55 55 MET H H 70 8.306 8.306 8.508 -0.202 17645
5609 1 14 . 1 1 56 56 MET N N 71 123.196 123.196 120.992 2.204 17645
5610 1 14 . 1 1 56 56 MET HA H 71 4.706 4.706 4.395 0.311 17645
5611 1 14 . 1 1 56 56 MET CA C 71 55.860 55.860 56.004 -0.144 17645
5612 1 14 . 1 1 56 56 MET CB C 71 37.620 37.620 32.865 4.755 17645
5613 1 14 . 1 1 56 56 MET H H 71 8.114 8.114 7.625 0.489 17645
5614 1 14 . 1 1 57 57 THR N N 72 113.158 113.158 116.921 -3.763 17645
5615 1 14 . 1 1 57 57 THR HA H 72 4.483 4.483 4.589 -0.106 17645
5616 1 14 . 1 1 57 57 THR CA C 72 61.080 61.080 61.537 -0.457 17645
5617 1 14 . 1 1 57 57 THR CB C 72 71.670 71.670 69.862 1.808 17645
5618 1 14 . 1 1 57 57 THR H H 72 8.486 8.486 8.190 0.296 17645
5619 1 14 . 1 1 58 58 ARG N N 73 121.911 121.911 125.374 -3.463 17645
5620 1 14 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.895 0.014 17645
5621 1 14 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.678 0.842 17645
5622 1 14 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.292 1.038 17645
5623 1 14 . 1 1 58 58 ARG H H 73 8.961 8.961 8.894 0.067 17645
5624 1 14 . 1 1 59 59 GLU N N 74 118.955 118.955 119.017 -0.062 17645
5625 1 14 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.039 -0.007 17645
5626 1 14 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.028 0.862 17645
5627 1 14 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.993 0.967 17645
5628 1 14 . 1 1 59 59 GLU H H 74 8.833 8.833 8.840 -0.007 17645
5629 1 14 . 1 1 60 60 GLN N N 75 121.077 121.077 118.062 3.015 17645
5630 1 14 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.119 -0.129 17645
5631 1 14 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.675 0.725 17645
5632 1 14 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.654 0.736 17645
5633 1 14 . 1 1 60 60 GLN H H 75 7.801 7.801 7.754 0.047 17645
5634 1 14 . 1 1 61 61 ILE N N 76 120.016 120.016 119.912 0.104 17645
5635 1 14 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.900 -0.471 17645
5636 1 14 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.950 3.910 17645
5637 1 14 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.710 2.000 17645
5638 1 14 . 1 1 61 61 ILE H H 76 8.250 8.250 7.527 0.723 17645
5639 1 14 . 1 1 62 62 GLN N N 77 119.153 119.153 120.176 -1.023 17645
5640 1 14 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.059 -0.292 17645
5641 1 14 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.343 0.427 17645
5642 1 14 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.435 0.645 17645
5643 1 14 . 1 1 62 62 GLN H H 77 8.295 8.295 8.121 0.174 17645
5644 1 14 . 1 1 63 63 LYS N N 78 118.200 118.200 120.309 -2.109 17645
5645 1 14 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.011 0.143 17645
5646 1 14 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.887 0.263 17645
5647 1 14 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.367 0.943 17645
5648 1 14 . 1 1 63 63 LYS H H 78 7.839 7.839 7.837 0.002 17645
5649 1 14 . 1 1 64 64 GLU N N 79 120.133 120.133 119.460 0.673 17645
5650 1 14 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.998 0.144 17645
5651 1 14 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.586 0.744 17645
5652 1 14 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.637 0.973 17645
5653 1 14 . 1 1 64 64 GLU H H 79 7.899 7.899 7.969 -0.070 17645
5654 1 14 . 1 1 65 65 TYR N N 80 122.505 122.505 119.699 2.806 17645
5655 1 14 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.230 -0.288 17645
5656 1 14 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.482 1.278 17645
5657 1 14 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.397 1.073 17645
5658 1 14 . 1 1 65 65 TYR H H 80 9.023 9.023 7.930 1.093 17645
5659 1 14 . 1 1 66 66 ASP N N 81 120.497 120.497 119.163 1.334 17645
5660 1 14 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.386 -0.169 17645
5661 1 14 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.798 0.302 17645
5662 1 14 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.636 0.004 17645
5663 1 14 . 1 1 66 66 ASP H H 81 9.089 9.089 7.789 1.300 17645
5664 1 14 . 1 1 67 67 ALA N N 82 122.397 122.397 122.429 -0.032 17645
5665 1 14 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.123 0.064 17645
5666 1 14 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.154 0.676 17645
5667 1 14 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.447 0.473 17645
5668 1 14 . 1 1 67 67 ALA H H 82 7.636 7.636 8.230 -0.594 17645
5669 1 14 . 1 1 68 68 LEU N N 83 121.806 121.806 118.718 3.088 17645
5670 1 14 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.087 0.058 17645
5671 1 14 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.636 0.644 17645
5672 1 14 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.009 0.851 17645
5673 1 14 . 1 1 68 68 LEU H H 83 7.727 7.727 7.721 0.006 17645
5674 1 14 . 1 1 69 69 VAL N N 84 123.560 123.560 120.640 2.920 17645
5675 1 14 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.758 -0.453 17645
5676 1 14 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.419 1.621 17645
5677 1 14 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.184 1.006 17645
5678 1 14 . 1 1 69 69 VAL H H 84 8.560 8.560 8.023 0.537 17645
5679 1 14 . 1 1 70 70 LYS N N 85 121.398 121.398 120.607 0.791 17645
5680 1 14 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.001 0.091 17645
5681 1 14 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.693 0.557 17645
5682 1 14 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.273 0.487 17645
5683 1 14 . 1 1 70 70 LYS H H 85 7.956 7.956 8.544 -0.588 17645
5684 1 14 . 1 1 71 71 SER N N 86 114.825 114.825 114.581 0.244 17645
5685 1 14 . 1 1 71 71 SER HA H 86 4.298 4.298 4.168 0.130 17645
5686 1 14 . 1 1 71 71 SER CA C 86 62.810 62.810 61.889 0.921 17645
5687 1 14 . 1 1 71 71 SER CB C 86 63.640 63.640 63.056 0.584 17645
5688 1 14 . 1 1 71 71 SER H H 86 8.284 8.284 7.858 0.426 17645
5689 1 14 . 1 1 72 72 SER N N 87 118.845 118.845 116.998 1.847 17645
5690 1 14 . 1 1 72 72 SER HA H 87 4.269 4.269 3.929 0.340 17645
5691 1 14 . 1 1 72 72 SER CA C 87 62.940 62.940 61.819 1.121 17645
5692 1 14 . 1 1 72 72 SER CB C 87 63.870 63.870 62.743 1.127 17645
5693 1 14 . 1 1 72 72 SER H H 87 8.421 8.421 8.285 0.136 17645
5694 1 14 . 1 1 73 73 GLU N N 88 124.809 124.809 122.100 2.709 17645
5695 1 14 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.971 0.081 17645
5696 1 14 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.847 0.383 17645
5697 1 14 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.322 0.908 17645
5698 1 14 . 1 1 73 73 GLU H H 88 8.376 8.376 7.901 0.475 17645
5699 1 14 . 1 1 74 74 ASP N N 89 122.193 122.193 119.741 2.452 17645
5700 1 14 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.415 -0.004 17645
5701 1 14 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.984 0.926 17645
5702 1 14 . 1 1 74 74 ASP CB C 89 40.580 40.580 41.054 -0.474 17645
5703 1 14 . 1 1 74 74 ASP H H 89 8.734 8.734 7.707 1.027 17645
5704 1 14 . 1 1 75 75 LEU N N 90 123.280 123.280 121.658 1.622 17645
5705 1 14 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.928 0.362 17645
5706 1 14 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.907 0.653 17645
5707 1 14 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.783 0.247 17645
5708 1 14 . 1 1 75 75 LEU H H 90 7.986 7.986 7.411 0.575 17645
5709 1 14 . 1 1 76 76 LEU N N 91 120.488 120.488 118.436 2.052 17645
5710 1 14 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.747 0.091 17645
5711 1 14 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.394 0.806 17645
5712 1 14 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.067 0.443 17645
5713 1 14 . 1 1 76 76 LEU H H 91 8.280 8.280 7.820 0.460 17645
5714 1 14 . 1 1 77 77 SER N N 92 113.817 113.817 114.678 -0.861 17645
5715 1 14 . 1 1 77 77 SER HA H 92 4.235 4.235 3.985 0.250 17645
5716 1 14 . 1 1 77 77 SER CA C 92 62.200 62.200 61.417 0.783 17645
5717 1 14 . 1 1 77 77 SER CB C 92 63.440 63.440 62.896 0.544 17645
5718 1 14 . 1 1 77 77 SER H H 92 8.219 8.219 7.826 0.393 17645
5719 1 14 . 1 1 78 78 ALA N N 93 124.902 124.902 124.992 -0.090 17645
5720 1 14 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.105 0.061 17645
5721 1 14 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.890 0.970 17645
5722 1 14 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.295 0.465 17645
5723 1 14 . 1 1 78 78 ALA H H 93 7.949 7.949 7.968 -0.019 17645
5724 1 14 . 1 1 79 79 LEU N N 94 120.602 120.602 120.453 0.149 17645
5725 1 14 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.878 0.189 17645
5726 1 14 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.675 -0.205 17645
5727 1 14 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.596 1.014 17645
5728 1 14 . 1 1 79 79 LEU H H 94 8.587 8.587 8.471 0.116 17645
5729 1 14 . 1 1 80 80 GLN N N 95 119.525 119.525 117.524 2.001 17645
5730 1 14 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.925 0.123 17645
5731 1 14 . 1 1 80 80 GLN CA C 95 59.590 59.590 58.830 0.760 17645
5732 1 14 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.073 0.767 17645
5733 1 14 . 1 1 80 80 GLN H H 95 8.561 8.561 8.399 0.162 17645
5734 1 14 . 1 1 81 81 LYS N N 96 121.075 121.075 120.475 0.600 17645
5735 1 14 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.920 0.217 17645
5736 1 14 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.836 0.214 17645
5737 1 14 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.353 0.587 17645
5738 1 14 . 1 1 81 81 LYS H H 96 8.003 8.003 7.706 0.297 17645
5739 1 14 . 1 1 82 82 LYS N N 97 121.415 121.415 118.351 3.064 17645
5740 1 14 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.930 0.195 17645
5741 1 14 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.652 0.318 17645
5742 1 14 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.186 0.934 17645
5743 1 14 . 1 1 82 82 LYS H H 97 7.903 7.903 8.173 -0.270 17645
5744 1 14 . 1 1 83 83 LYS N N 98 121.081 121.081 119.986 1.095 17645
5745 1 14 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.153 -0.171 17645
5746 1 14 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.536 0.474 17645
5747 1 14 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.329 0.791 17645
5748 1 14 . 1 1 83 83 LYS H H 98 8.202 8.202 7.810 0.392 17645
5749 1 14 . 1 1 84 84 GLN N N 99 119.576 119.576 117.170 2.406 17645
5750 1 14 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.071 0.053 17645
5751 1 14 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.111 1.699 17645
5752 1 14 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.696 0.264 17645
5753 1 14 . 1 1 84 84 GLN H H 99 8.125 8.125 7.756 0.369 17645
5754 1 14 . 1 1 85 85 GLN N N 100 120.009 120.009 117.774 2.235 17645
5755 1 14 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.190 -0.069 17645
5756 1 14 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.880 1.710 17645
5757 1 14 . 1 1 85 85 GLN CB C 100 29.020 29.020 30.043 -1.023 17645
5758 1 14 . 1 1 85 85 GLN H H 100 8.341 8.341 7.798 0.543 17645
5759 1 14 . 1 1 86 86 GLU N N 101 121.718 121.718 117.968 3.750 17645
5760 1 14 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.512 -0.377 17645
5761 1 14 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.219 5.211 17645
5762 1 14 . 1 1 86 86 GLU CB C 101 30.140 30.140 32.127 -1.988 17645
5763 1 14 . 1 1 86 86 GLU H H 101 8.275 8.275 8.288 -0.013 17645
5764 1 14 . 1 1 87 87 GLU N N 102 121.412 121.412 120.503 0.909 17645
5765 1 14 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.247 -0.131 17645
5766 1 14 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.439 2.521 17645
5767 1 14 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.076 -0.786 17645
5768 1 14 . 1 1 87 87 GLU H H 102 8.330 8.330 8.796 -0.466 17645
5769 1 15 . 1 1 2 2 GLY N N 17 110.356 110.356 108.895 1.461 17645
5770 1 15 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.899 -0.289 17645
5771 1 15 . 1 1 2 2 GLY H H 17 8.065 8.065 7.996 0.069 17645
5772 1 15 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.252 0.141 17645
5773 1 15 . 1 1 3 3 PRO CA C 18 64.670 64.670 64.054 0.616 17645
5774 1 15 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.207 0.493 17645
5775 1 15 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.816 0.914 17645
5776 1 15 . 1 1 5 5 SER HA H 20 4.192 4.192 4.578 -0.386 17645
5777 1 15 . 1 1 5 5 SER CA C 20 60.960 60.960 60.977 -0.017 17645
5778 1 15 . 1 1 5 5 SER CB C 20 64.250 64.250 63.946 0.304 17645
5779 1 15 . 1 1 6 6 LEU N N 21 122.731 122.731 122.153 0.578 17645
5780 1 15 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.071 0.049 17645
5781 1 15 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.592 0.129 17645
5782 1 15 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.781 1.189 17645
5783 1 15 . 1 1 6 6 LEU H H 21 8.052 8.052 7.536 0.516 17645
5784 1 15 . 1 1 7 7 VAL N N 22 119.948 119.948 118.932 1.016 17645
5785 1 15 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.580 0.173 17645
5786 1 15 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.153 -0.803 17645
5787 1 15 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.595 1.005 17645
5788 1 15 . 1 1 7 7 VAL H H 22 7.676 7.676 7.794 -0.118 17645
5789 1 15 . 1 1 8 8 LYS N N 23 122.400 122.400 118.972 3.428 17645
5790 1 15 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.969 0.218 17645
5791 1 15 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.340 -0.510 17645
5792 1 15 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.199 0.361 17645
5793 1 15 . 1 1 8 8 LYS H H 23 7.830 7.830 8.018 -0.188 17645
5794 1 15 . 1 1 9 9 VAL N N 24 121.205 121.205 118.574 2.631 17645
5795 1 15 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.714 0.112 17645
5796 1 15 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.583 0.277 17645
5797 1 15 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.995 1.455 17645
5798 1 15 . 1 1 9 9 VAL H H 24 8.194 8.194 7.766 0.428 17645
5799 1 15 . 1 1 10 10 GLY N N 25 107.900 107.900 107.086 0.814 17645
5800 1 15 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.524 0.136 17645
5801 1 15 . 1 1 10 10 GLY H H 25 8.446 8.446 8.530 -0.084 17645
5802 1 15 . 1 1 11 11 THR N N 26 116.800 116.800 119.027 -2.227 17645
5803 1 15 . 1 1 11 11 THR HA H 26 4.109 4.109 3.895 0.214 17645
5804 1 15 . 1 1 11 11 THR CA C 26 66.300 66.300 66.618 -0.318 17645
5805 1 15 . 1 1 11 11 THR CB C 26 69.690 69.690 68.527 1.163 17645
5806 1 15 . 1 1 11 11 THR H H 26 7.992 7.992 7.853 0.140 17645
5807 1 15 . 1 1 12 12 LEU N N 27 123.983 123.983 123.040 0.943 17645
5808 1 15 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.068 0.059 17645
5809 1 15 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.052 0.418 17645
5810 1 15 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.704 1.106 17645
5811 1 15 . 1 1 12 12 LEU H H 27 7.934 7.934 7.846 0.088 17645
5812 1 15 . 1 1 13 13 LYS N N 28 117.513 117.513 118.791 -1.278 17645
5813 1 15 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.816 0.087 17645
5814 1 15 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.983 0.167 17645
5815 1 15 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.926 0.804 17645
5816 1 15 . 1 1 13 13 LYS H H 28 7.824 7.824 7.714 0.110 17645
5817 1 15 . 1 1 14 14 LYS N N 29 119.275 119.275 118.412 0.863 17645
5818 1 15 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.951 0.200 17645
5819 1 15 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.779 -0.319 17645
5820 1 15 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.171 0.579 17645
5821 1 15 . 1 1 14 14 LYS H H 29 7.685 7.685 7.753 -0.068 17645
5822 1 15 . 1 1 15 15 ARG N N 30 119.090 119.090 119.954 -0.864 17645
5823 1 15 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.881 0.179 17645
5824 1 15 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.578 0.452 17645
5825 1 15 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.488 1.022 17645
5826 1 15 . 1 1 15 15 ARG H H 30 7.709 7.709 7.267 0.442 17645
5827 1 15 . 1 1 16 16 LEU N N 31 118.473 118.473 119.598 -1.125 17645
5828 1 15 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.587 0.390 17645
5829 1 15 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.537 -0.457 17645
5830 1 15 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.554 -0.234 17645
5831 1 15 . 1 1 16 16 LEU H H 31 7.595 7.595 7.897 -0.302 17645
5832 1 15 . 1 1 17 17 ASP N N 32 120.020 120.020 118.567 1.453 17645
5833 1 15 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.226 0.213 17645
5834 1 15 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.391 0.589 17645
5835 1 15 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.738 0.142 17645
5836 1 15 . 1 1 17 17 ASP H H 32 7.858 7.858 7.771 0.087 17645
5837 1 15 . 1 1 18 18 LYS N N 33 119.708 119.708 120.147 -0.439 17645
5838 1 15 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.045 0.153 17645
5839 1 15 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.624 -0.154 17645
5840 1 15 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.749 0.441 17645
5841 1 15 . 1 1 18 18 LYS H H 33 7.564 7.564 7.448 0.116 17645
5842 1 15 . 1 1 19 19 PHE N N 34 118.256 118.256 117.884 0.372 17645
5843 1 15 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.246 0.005 17645
5844 1 15 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.113 1.597 17645
5845 1 15 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.628 1.122 17645
5846 1 15 . 1 1 19 19 PHE H H 34 7.884 7.884 7.679 0.205 17645
5847 1 15 . 1 1 20 20 ASN N N 35 117.779 117.779 117.954 -0.175 17645
5848 1 15 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.394 0.066 17645
5849 1 15 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.527 0.823 17645
5850 1 15 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.862 1.138 17645
5851 1 15 . 1 1 20 20 ASN H H 35 8.054 8.054 8.074 -0.020 17645
5852 1 15 . 1 1 21 21 GLU N N 36 120.312 120.312 121.125 -0.813 17645
5853 1 15 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.063 0.043 17645
5854 1 15 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.574 0.196 17645
5855 1 15 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.752 0.758 17645
5856 1 15 . 1 1 21 21 GLU H H 36 7.983 7.983 7.814 0.169 17645
5857 1 15 . 1 1 22 22 VAL N N 37 119.756 119.756 119.620 0.136 17645
5858 1 15 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.688 0.154 17645
5859 1 15 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.228 -0.118 17645
5860 1 15 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.697 0.983 17645
5861 1 15 . 1 1 22 22 VAL H H 37 7.670 7.670 7.842 -0.172 17645
5862 1 15 . 1 1 23 23 VAL N N 38 118.300 118.300 118.746 -0.446 17645
5863 1 15 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.767 -0.090 17645
5864 1 15 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.784 1.766 17645
5865 1 15 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.693 1.787 17645
5866 1 15 . 1 1 23 23 VAL H H 38 8.159 8.159 8.422 -0.263 17645
5867 1 15 . 1 1 24 24 SER N N 39 113.952 113.952 116.678 -2.726 17645
5868 1 15 . 1 1 24 24 SER HA H 39 4.170 4.170 4.180 -0.010 17645
5869 1 15 . 1 1 24 24 SER CA C 39 61.880 61.880 61.313 0.567 17645
5870 1 15 . 1 1 24 24 SER CB C 39 63.740 63.740 63.171 0.569 17645
5871 1 15 . 1 1 24 24 SER H H 39 7.773 7.773 8.424 -0.651 17645
5872 1 15 . 1 1 25 25 ALA N N 40 122.572 122.572 122.927 -0.355 17645
5873 1 15 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.254 0.171 17645
5874 1 15 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.073 -1.193 17645
5875 1 15 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.680 1.770 17645
5876 1 15 . 1 1 25 25 ALA H H 40 7.436 7.436 7.572 -0.136 17645
5877 1 15 . 1 1 26 26 LEU N N 41 120.677 120.677 118.203 2.474 17645
5878 1 15 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.062 0.319 17645
5879 1 15 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.249 -0.390 17645
5880 1 15 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.244 0.946 17645
5881 1 15 . 1 1 26 26 LEU H H 41 7.499 7.499 7.201 0.298 17645
5882 1 15 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.019 0.266 17645
5883 1 15 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.607 0.643 17645
5884 1 15 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.308 2.562 17645
5885 1 15 . 1 1 28 28 ASP N N 43 120.989 120.989 118.430 2.559 17645
5886 1 15 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.755 0.046 17645
5887 1 15 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.469 1.091 17645
5888 1 15 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.124 0.316 17645
5889 1 15 . 1 1 28 28 ASP H H 43 8.513 8.513 7.848 0.665 17645
5890 1 15 . 1 1 29 29 GLY N N 44 108.379 108.379 114.108 -5.729 17645
5891 1 15 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.485 1.055 17645
5892 1 15 . 1 1 29 29 GLY H H 44 8.425 8.425 8.638 -0.213 17645
5893 1 15 . 1 1 30 30 LYS N N 45 119.932 119.932 121.028 -1.096 17645
5894 1 15 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.303 -0.224 17645
5895 1 15 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.147 1.373 17645
5896 1 15 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.740 0.330 17645
5897 1 15 . 1 1 30 30 LYS H H 45 8.269 8.269 8.378 -0.109 17645
5898 1 15 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.246 0.062 17645
5899 1 15 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.334 0.706 17645
5900 1 15 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.864 0.956 17645
5901 1 15 . 1 1 32 32 GLU N N 47 118.526 118.526 117.158 1.368 17645
5902 1 15 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.046 0.087 17645
5903 1 15 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.313 0.857 17645
5904 1 15 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.616 1.294 17645
5905 1 15 . 1 1 32 32 GLU H H 47 8.189 8.189 8.947 -0.758 17645
5906 1 15 . 1 1 33 33 VAL N N 48 120.183 120.183 120.895 -0.712 17645
5907 1 15 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.656 0.256 17645
5908 1 15 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.189 0.111 17645
5909 1 15 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.062 1.298 17645
5910 1 15 . 1 1 33 33 VAL H H 48 7.744 7.744 7.422 0.322 17645
5911 1 15 . 1 1 34 34 ASN N N 49 119.700 119.700 118.416 1.284 17645
5912 1 15 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.440 0.010 17645
5913 1 15 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.694 0.356 17645
5914 1 15 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.445 0.205 17645
5915 1 15 . 1 1 34 34 ASN H H 49 8.582 8.582 8.694 -0.112 17645
5916 1 15 . 1 1 35 35 ARG N N 50 121.009 121.009 119.628 1.381 17645
5917 1 15 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.152 -0.015 17645
5918 1 15 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.133 0.638 17645
5919 1 15 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.646 1.124 17645
5920 1 15 . 1 1 35 35 ARG H H 50 7.848 7.848 8.339 -0.491 17645
5921 1 15 . 1 1 36 36 GLN N N 51 119.394 119.394 120.029 -0.635 17645
5922 1 15 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.177 -0.114 17645
5923 1 15 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.671 1.339 17645
5924 1 15 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.223 0.547 17645
5925 1 15 . 1 1 36 36 GLN H H 51 7.685 7.685 7.667 0.018 17645
5926 1 15 . 1 1 37 37 ILE N N 52 122.006 122.006 119.353 2.653 17645
5927 1 15 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.747 -0.293 17645
5928 1 15 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.592 0.708 17645
5929 1 15 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.535 1.365 17645
5930 1 15 . 1 1 37 37 ILE H H 52 8.293 8.293 8.910 -0.617 17645
5931 1 15 . 1 1 38 38 LYS N N 53 121.163 121.163 121.170 -0.007 17645
5932 1 15 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.942 0.229 17645
5933 1 15 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.034 -0.984 17645
5934 1 15 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.383 -0.453 17645
5935 1 15 . 1 1 38 38 LYS H H 53 8.169 8.169 8.103 0.066 17645
5936 1 15 . 1 1 39 39 ASN N N 54 117.219 117.219 118.180 -0.961 17645
5937 1 15 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.463 0.020 17645
5938 1 15 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.746 0.864 17645
5939 1 15 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.681 0.759 17645
5940 1 15 . 1 1 39 39 ASN H H 54 8.171 8.171 7.975 0.196 17645
5941 1 15 . 1 1 40 40 LEU N N 55 123.907 123.907 121.312 2.595 17645
5942 1 15 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.103 0.102 17645
5943 1 15 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.989 0.851 17645
5944 1 15 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.796 0.274 17645
5945 1 15 . 1 1 40 40 LEU H H 55 7.702 7.702 7.806 -0.104 17645
5946 1 15 . 1 1 41 41 GLU N N 56 121.779 121.779 120.485 1.294 17645
5947 1 15 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.025 -0.323 17645
5948 1 15 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.618 1.832 17645
5949 1 15 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.432 0.898 17645
5950 1 15 . 1 1 41 41 GLU H H 56 8.442 8.442 7.985 0.457 17645
5951 1 15 . 1 1 42 42 ILE N N 57 119.133 119.133 119.599 -0.466 17645
5952 1 15 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.723 0.160 17645
5953 1 15 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.034 0.516 17645
5954 1 15 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.816 1.134 17645
5955 1 15 . 1 1 42 42 ILE H H 57 8.531 8.531 8.257 0.274 17645
5956 1 15 . 1 1 43 43 SER N N 58 118.622 118.622 116.867 1.755 17645
5957 1 15 . 1 1 43 43 SER HA H 58 4.322 4.322 4.062 0.260 17645
5958 1 15 . 1 1 43 43 SER CA C 58 62.940 62.940 62.348 0.592 17645
5959 1 15 . 1 1 43 43 SER CB C 58 63.500 63.500 63.115 0.385 17645
5960 1 15 . 1 1 43 43 SER H H 58 8.027 8.027 7.610 0.417 17645
5961 1 15 . 1 1 44 44 ILE N N 59 126.416 126.416 121.918 4.498 17645
5962 1 15 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.627 0.001 17645
5963 1 15 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.769 1.141 17645
5964 1 15 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.907 1.253 17645
5965 1 15 . 1 1 44 44 ILE H H 59 8.543 8.543 8.301 0.242 17645
5966 1 15 . 1 1 45 45 ASP N N 60 121.563 121.563 119.635 1.928 17645
5967 1 15 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.281 0.126 17645
5968 1 15 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.699 0.581 17645
5969 1 15 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.853 -0.093 17645
5970 1 15 . 1 1 45 45 ASP H H 60 8.406 8.406 8.151 0.255 17645
5971 1 15 . 1 1 46 46 ALA N N 61 123.500 123.500 122.366 1.134 17645
5972 1 15 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645
5973 1 15 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.135 0.575 17645
5974 1 15 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.419 0.241 17645
5975 1 15 . 1 1 46 46 ALA H H 61 8.538 8.538 8.119 0.419 17645
5976 1 15 . 1 1 47 47 LEU N N 62 121.942 121.942 119.691 2.251 17645
5977 1 15 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.899 0.395 17645
5978 1 15 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.550 0.110 17645
5979 1 15 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.812 -0.672 17645
5980 1 15 . 1 1 47 47 LEU H H 62 7.801 7.801 7.749 0.052 17645
5981 1 15 . 1 1 48 48 MET N N 63 118.068 118.068 118.801 -0.733 17645
5982 1 15 . 1 1 48 48 MET HA H 63 3.945 3.945 3.912 0.033 17645
5983 1 15 . 1 1 48 48 MET CA C 63 60.330 60.330 58.158 2.172 17645
5984 1 15 . 1 1 48 48 MET CB C 63 33.110 33.110 31.960 1.150 17645
5985 1 15 . 1 1 48 48 MET H H 63 8.261 8.261 7.850 0.411 17645
5986 1 15 . 1 1 49 49 ALA N N 64 120.428 120.428 119.011 1.417 17645
5987 1 15 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.089 0.012 17645
5988 1 15 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.745 1.025 17645
5989 1 15 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.150 0.620 17645
5990 1 15 . 1 1 49 49 ALA H H 64 8.045 8.045 7.837 0.208 17645
5991 1 15 . 1 1 50 50 LYS N N 65 121.947 121.947 116.811 5.136 17645
5992 1 15 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.246 -0.207 17645
5993 1 15 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.423 2.097 17645
5994 1 15 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.914 0.766 17645
5995 1 15 . 1 1 50 50 LYS H H 65 8.063 8.063 7.638 0.425 17645
5996 1 15 . 1 1 51 51 ILE N N 66 121.189 121.189 118.119 3.070 17645
5997 1 15 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.903 -0.153 17645
5998 1 15 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.041 2.699 17645
5999 1 15 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.419 1.701 17645
6000 1 15 . 1 1 51 51 ILE H H 66 8.437 8.437 8.251 0.186 17645
6001 1 15 . 1 1 52 52 LYS N N 67 117.119 117.119 116.983 0.136 17645
6002 1 15 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.393 -0.257 17645
6003 1 15 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.450 2.760 17645
6004 1 15 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.099 0.581 17645
6005 1 15 . 1 1 52 52 LYS H H 67 7.622 7.622 7.769 -0.147 17645
6006 1 15 . 1 1 53 53 SER N N 68 111.824 111.824 113.052 -1.228 17645
6007 1 15 . 1 1 53 53 SER HA H 68 4.602 4.602 4.615 -0.013 17645
6008 1 15 . 1 1 53 53 SER CA C 68 59.960 59.960 58.250 1.710 17645
6009 1 15 . 1 1 53 53 SER CB C 68 65.750 65.750 63.485 2.265 17645
6010 1 15 . 1 1 53 53 SER H H 68 7.750 7.750 7.798 -0.048 17645
6011 1 15 . 1 1 54 54 THR N N 69 115.916 115.916 112.914 3.002 17645
6012 1 15 . 1 1 54 54 THR HA H 69 4.596 4.596 4.506 0.090 17645
6013 1 15 . 1 1 54 54 THR CA C 69 62.460 62.460 61.553 0.907 17645
6014 1 15 . 1 1 54 54 THR CB C 69 71.650 71.650 69.816 1.834 17645
6015 1 15 . 1 1 54 54 THR H H 69 7.972 7.972 7.424 0.548 17645
6016 1 15 . 1 1 55 55 MET N N 70 121.343 121.343 121.660 -0.317 17645
6017 1 15 . 1 1 55 55 MET HA H 70 4.551 4.551 4.778 -0.227 17645
6018 1 15 . 1 1 55 55 MET CA C 70 56.050 56.050 54.499 1.551 17645
6019 1 15 . 1 1 55 55 MET CB C 70 32.500 32.500 33.178 -0.678 17645
6020 1 15 . 1 1 55 55 MET H H 70 8.306 8.306 8.497 -0.191 17645
6021 1 15 . 1 1 56 56 MET N N 71 123.196 123.196 119.373 3.823 17645
6022 1 15 . 1 1 56 56 MET HA H 71 4.706 4.706 4.358 0.348 17645
6023 1 15 . 1 1 56 56 MET CA C 71 55.860 55.860 56.107 -0.247 17645
6024 1 15 . 1 1 56 56 MET CB C 71 37.620 37.620 32.862 4.758 17645
6025 1 15 . 1 1 56 56 MET H H 71 8.114 8.114 7.472 0.642 17645
6026 1 15 . 1 1 57 57 THR N N 72 113.158 113.158 117.065 -3.907 17645
6027 1 15 . 1 1 57 57 THR HA H 72 4.483 4.483 4.538 -0.055 17645
6028 1 15 . 1 1 57 57 THR CA C 72 61.080 61.080 61.257 -0.177 17645
6029 1 15 . 1 1 57 57 THR CB C 72 71.670 71.670 70.238 1.432 17645
6030 1 15 . 1 1 57 57 THR H H 72 8.486 8.486 8.443 0.043 17645
6031 1 15 . 1 1 58 58 ARG N N 73 121.911 121.911 124.017 -2.106 17645
6032 1 15 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.926 -0.017 17645
6033 1 15 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.054 0.466 17645
6034 1 15 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.935 0.395 17645
6035 1 15 . 1 1 58 58 ARG H H 73 8.961 8.961 8.861 0.100 17645
6036 1 15 . 1 1 59 59 GLU N N 74 118.955 118.955 118.579 0.376 17645
6037 1 15 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.043 -0.011 17645
6038 1 15 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.770 1.120 17645
6039 1 15 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.958 1.002 17645
6040 1 15 . 1 1 59 59 GLU H H 74 8.833 8.833 8.809 0.024 17645
6041 1 15 . 1 1 60 60 GLN N N 75 121.077 121.077 118.392 2.685 17645
6042 1 15 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.136 -0.146 17645
6043 1 15 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.666 0.734 17645
6044 1 15 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.738 0.652 17645
6045 1 15 . 1 1 60 60 GLN H H 75 7.801 7.801 7.753 0.048 17645
6046 1 15 . 1 1 61 61 ILE N N 76 120.016 120.016 119.754 0.262 17645
6047 1 15 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.889 -0.460 17645
6048 1 15 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.979 3.881 17645
6049 1 15 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.687 2.023 17645
6050 1 15 . 1 1 61 61 ILE H H 76 8.250 8.250 7.499 0.751 17645
6051 1 15 . 1 1 62 62 GLN N N 77 119.153 119.153 120.056 -0.903 17645
6052 1 15 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.094 -0.327 17645
6053 1 15 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.065 0.705 17645
6054 1 15 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.400 0.680 17645
6055 1 15 . 1 1 62 62 GLN H H 77 8.295 8.295 8.179 0.116 17645
6056 1 15 . 1 1 63 63 LYS N N 78 118.200 118.200 119.650 -1.450 17645
6057 1 15 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.051 0.103 17645
6058 1 15 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.651 0.499 17645
6059 1 15 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.284 1.026 17645
6060 1 15 . 1 1 63 63 LYS H H 78 7.839 7.839 7.870 -0.031 17645
6061 1 15 . 1 1 64 64 GLU N N 79 120.133 120.133 119.124 1.009 17645
6062 1 15 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.019 0.123 17645
6063 1 15 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.537 0.793 17645
6064 1 15 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.478 1.132 17645
6065 1 15 . 1 1 64 64 GLU H H 79 7.899 7.899 8.040 -0.141 17645
6066 1 15 . 1 1 65 65 TYR N N 80 122.505 122.505 120.019 2.486 17645
6067 1 15 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.208 -0.266 17645
6068 1 15 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.722 1.038 17645
6069 1 15 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.374 1.096 17645
6070 1 15 . 1 1 65 65 TYR H H 80 9.023 9.023 7.970 1.053 17645
6071 1 15 . 1 1 66 66 ASP N N 81 120.497 120.497 119.501 0.996 17645
6072 1 15 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.195 0.022 17645
6073 1 15 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.162 -0.062 17645
6074 1 15 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.364 0.276 17645
6075 1 15 . 1 1 66 66 ASP H H 81 9.089 9.089 7.653 1.436 17645
6076 1 15 . 1 1 67 67 ALA N N 82 122.397 122.397 122.299 0.098 17645
6077 1 15 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.114 0.073 17645
6078 1 15 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.050 0.780 17645
6079 1 15 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.426 0.494 17645
6080 1 15 . 1 1 67 67 ALA H H 82 7.636 7.636 8.294 -0.658 17645
6081 1 15 . 1 1 68 68 LEU N N 83 121.806 121.806 118.262 3.544 17645
6082 1 15 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.311 -0.166 17645
6083 1 15 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.257 1.023 17645
6084 1 15 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.059 0.801 17645
6085 1 15 . 1 1 68 68 LEU H H 83 7.727 7.727 7.659 0.068 17645
6086 1 15 . 1 1 69 69 VAL N N 84 123.560 123.560 121.037 2.523 17645
6087 1 15 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.630 -0.325 17645
6088 1 15 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.305 1.735 17645
6089 1 15 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.276 0.914 17645
6090 1 15 . 1 1 69 69 VAL H H 84 8.560 8.560 7.693 0.867 17645
6091 1 15 . 1 1 70 70 LYS N N 85 121.398 121.398 120.398 1.000 17645
6092 1 15 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.024 0.068 17645
6093 1 15 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.881 0.369 17645
6094 1 15 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.291 0.469 17645
6095 1 15 . 1 1 70 70 LYS H H 85 7.956 7.956 8.237 -0.281 17645
6096 1 15 . 1 1 71 71 SER N N 86 114.825 114.825 114.760 0.065 17645
6097 1 15 . 1 1 71 71 SER HA H 86 4.298 4.298 4.145 0.153 17645
6098 1 15 . 1 1 71 71 SER CA C 86 62.810 62.810 61.773 1.037 17645
6099 1 15 . 1 1 71 71 SER CB C 86 63.640 63.640 62.647 0.993 17645
6100 1 15 . 1 1 71 71 SER H H 86 8.284 8.284 7.950 0.334 17645
6101 1 15 . 1 1 72 72 SER N N 87 118.845 118.845 118.033 0.812 17645
6102 1 15 . 1 1 72 72 SER HA H 87 4.269 4.269 4.177 0.092 17645
6103 1 15 . 1 1 72 72 SER CA C 87 62.940 62.940 61.790 1.150 17645
6104 1 15 . 1 1 72 72 SER CB C 87 63.870 63.870 62.826 1.044 17645
6105 1 15 . 1 1 72 72 SER H H 87 8.421 8.421 8.361 0.060 17645
6106 1 15 . 1 1 73 73 GLU N N 88 124.809 124.809 122.118 2.691 17645
6107 1 15 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.973 0.079 17645
6108 1 15 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.335 0.895 17645
6109 1 15 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.193 1.037 17645
6110 1 15 . 1 1 73 73 GLU H H 88 8.376 8.376 7.791 0.585 17645
6111 1 15 . 1 1 74 74 ASP N N 89 122.193 122.193 119.317 2.876 17645
6112 1 15 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.408 0.003 17645
6113 1 15 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.936 0.974 17645
6114 1 15 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.951 -0.371 17645
6115 1 15 . 1 1 74 74 ASP H H 89 8.734 8.734 7.758 0.976 17645
6116 1 15 . 1 1 75 75 LEU N N 90 123.280 123.280 120.954 2.326 17645
6117 1 15 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.010 0.280 17645
6118 1 15 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.754 0.806 17645
6119 1 15 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.886 0.144 17645
6120 1 15 . 1 1 75 75 LEU H H 90 7.986 7.986 7.187 0.799 17645
6121 1 15 . 1 1 76 76 LEU N N 91 120.488 120.488 118.535 1.953 17645
6122 1 15 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.661 0.177 17645
6123 1 15 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.262 0.938 17645
6124 1 15 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.010 0.500 17645
6125 1 15 . 1 1 76 76 LEU H H 91 8.280 8.280 7.798 0.482 17645
6126 1 15 . 1 1 77 77 SER N N 92 113.817 113.817 114.696 -0.879 17645
6127 1 15 . 1 1 77 77 SER HA H 92 4.235 4.235 4.060 0.175 17645
6128 1 15 . 1 1 77 77 SER CA C 92 62.200 62.200 62.056 0.144 17645
6129 1 15 . 1 1 77 77 SER CB C 92 63.440 63.440 62.900 0.540 17645
6130 1 15 . 1 1 77 77 SER H H 92 8.219 8.219 8.080 0.139 17645
6131 1 15 . 1 1 78 78 ALA N N 93 124.902 124.902 124.672 0.230 17645
6132 1 15 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.104 0.062 17645
6133 1 15 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.887 0.973 17645
6134 1 15 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.228 0.532 17645
6135 1 15 . 1 1 78 78 ALA H H 93 7.949 7.949 7.606 0.343 17645
6136 1 15 . 1 1 79 79 LEU N N 94 120.602 120.602 119.061 1.541 17645
6137 1 15 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.769 0.298 17645
6138 1 15 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.033 0.437 17645
6139 1 15 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.457 1.153 17645
6140 1 15 . 1 1 79 79 LEU H H 94 8.587 8.587 7.997 0.590 17645
6141 1 15 . 1 1 80 80 GLN N N 95 119.525 119.525 118.690 0.835 17645
6142 1 15 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.911 0.137 17645
6143 1 15 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.977 -0.387 17645
6144 1 15 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.444 0.396 17645
6145 1 15 . 1 1 80 80 GLN H H 95 8.561 8.561 8.588 -0.027 17645
6146 1 15 . 1 1 81 81 LYS N N 96 121.075 121.075 118.981 2.094 17645
6147 1 15 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.163 -0.026 17645
6148 1 15 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.281 0.769 17645
6149 1 15 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.931 1.009 17645
6150 1 15 . 1 1 81 81 LYS H H 96 8.003 8.003 7.819 0.184 17645
6151 1 15 . 1 1 82 82 LYS N N 97 121.415 121.415 119.994 1.421 17645
6152 1 15 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.063 0.062 17645
6153 1 15 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.601 0.369 17645
6154 1 15 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.529 0.591 17645
6155 1 15 . 1 1 82 82 LYS H H 97 7.903 7.903 7.747 0.156 17645
6156 1 15 . 1 1 83 83 LYS N N 98 121.081 121.081 118.862 2.219 17645
6157 1 15 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.000 -0.018 17645
6158 1 15 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.419 0.591 17645
6159 1 15 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.983 1.137 17645
6160 1 15 . 1 1 83 83 LYS H H 98 8.202 8.202 8.162 0.040 17645
6161 1 15 . 1 1 84 84 GLN N N 99 119.576 119.576 119.176 0.400 17645
6162 1 15 . 1 1 84 84 GLN HA H 99 4.124 4.124 3.928 0.196 17645
6163 1 15 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.695 1.115 17645
6164 1 15 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.197 0.763 17645
6165 1 15 . 1 1 84 84 GLN H H 99 8.125 8.125 8.498 -0.373 17645
6166 1 15 . 1 1 85 85 GLN N N 100 120.009 120.009 118.008 2.001 17645
6167 1 15 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.064 0.057 17645
6168 1 15 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.092 1.498 17645
6169 1 15 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.235 0.785 17645
6170 1 15 . 1 1 85 85 GLN H H 100 8.341 8.341 7.719 0.622 17645
6171 1 15 . 1 1 86 86 GLU N N 101 121.718 121.718 118.613 3.105 17645
6172 1 15 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.139 -0.004 17645
6173 1 15 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.462 1.968 17645
6174 1 15 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.857 0.283 17645
6175 1 15 . 1 1 86 86 GLU H H 101 8.275 8.275 7.779 0.496 17645
6176 1 15 . 1 1 87 87 GLU N N 102 121.412 121.412 118.001 3.411 17645
6177 1 15 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.318 -0.202 17645
6178 1 15 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.901 2.059 17645
6179 1 15 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.993 -0.703 17645
6180 1 15 . 1 1 87 87 GLU H H 102 8.330 8.330 7.845 0.485 17645
6181 1 16 . 1 1 2 2 GLY N N 17 110.356 110.356 110.747 -0.391 17645
6182 1 16 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.121 1.489 17645
6183 1 16 . 1 1 2 2 GLY H H 17 8.065 8.065 8.292 -0.227 17645
6184 1 16 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.376 0.017 17645
6185 1 16 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.136 1.534 17645
6186 1 16 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.475 1.225 17645
6187 1 16 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.338 1.392 17645
6188 1 16 . 1 1 5 5 SER HA H 20 4.192 4.192 4.572 -0.380 17645
6189 1 16 . 1 1 5 5 SER CA C 20 60.960 60.960 59.054 1.906 17645
6190 1 16 . 1 1 5 5 SER CB C 20 64.250 64.250 64.009 0.241 17645
6191 1 16 . 1 1 6 6 LEU N N 21 122.731 122.731 123.209 -0.478 17645
6192 1 16 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.061 0.059 17645
6193 1 16 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.617 -0.897 17645
6194 1 16 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.492 1.478 17645
6195 1 16 . 1 1 6 6 LEU H H 21 8.052 8.052 8.208 -0.156 17645
6196 1 16 . 1 1 7 7 VAL N N 22 119.948 119.948 119.253 0.695 17645
6197 1 16 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.800 -0.047 17645
6198 1 16 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.129 -0.779 17645
6199 1 16 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.400 1.200 17645
6200 1 16 . 1 1 7 7 VAL H H 22 7.676 7.676 7.978 -0.302 17645
6201 1 16 . 1 1 8 8 LYS N N 23 122.400 122.400 119.856 2.544 17645
6202 1 16 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.163 0.024 17645
6203 1 16 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.678 -0.848 17645
6204 1 16 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.518 0.042 17645
6205 1 16 . 1 1 8 8 LYS H H 23 7.830 7.830 8.198 -0.368 17645
6206 1 16 . 1 1 9 9 VAL N N 24 121.205 121.205 118.464 2.741 17645
6207 1 16 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.682 0.144 17645
6208 1 16 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.766 0.094 17645
6209 1 16 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.945 1.505 17645
6210 1 16 . 1 1 9 9 VAL H H 24 8.194 8.194 8.426 -0.232 17645
6211 1 16 . 1 1 10 10 GLY N N 25 107.900 107.900 106.772 1.128 17645
6212 1 16 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.519 0.141 17645
6213 1 16 . 1 1 10 10 GLY H H 25 8.446 8.446 8.153 0.293 17645
6214 1 16 . 1 1 11 11 THR N N 26 116.800 116.800 119.326 -2.526 17645
6215 1 16 . 1 1 11 11 THR HA H 26 4.109 4.109 3.929 0.180 17645
6216 1 16 . 1 1 11 11 THR CA C 26 66.300 66.300 66.622 -0.322 17645
6217 1 16 . 1 1 11 11 THR CB C 26 69.690 69.690 68.332 1.358 17645
6218 1 16 . 1 1 11 11 THR H H 26 7.992 7.992 7.829 0.163 17645
6219 1 16 . 1 1 12 12 LEU N N 27 123.983 123.983 122.609 1.374 17645
6220 1 16 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.910 0.217 17645
6221 1 16 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.943 0.527 17645
6222 1 16 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.474 1.337 17645
6223 1 16 . 1 1 12 12 LEU H H 27 7.934 7.934 7.912 0.022 17645
6224 1 16 . 1 1 13 13 LYS N N 28 117.513 117.513 118.935 -1.422 17645
6225 1 16 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.837 0.066 17645
6226 1 16 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.651 0.499 17645
6227 1 16 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.017 0.713 17645
6228 1 16 . 1 1 13 13 LYS H H 28 7.824 7.824 7.760 0.064 17645
6229 1 16 . 1 1 14 14 LYS N N 29 119.275 119.275 119.010 0.265 17645
6230 1 16 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.002 0.149 17645
6231 1 16 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.233 0.227 17645
6232 1 16 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.163 0.587 17645
6233 1 16 . 1 1 14 14 LYS H H 29 7.685 7.685 7.677 0.008 17645
6234 1 16 . 1 1 15 15 ARG N N 30 119.090 119.090 120.411 -1.321 17645
6235 1 16 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.833 0.227 17645
6236 1 16 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.110 -0.080 17645
6237 1 16 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.801 0.709 17645
6238 1 16 . 1 1 15 15 ARG H H 30 7.709 7.709 7.534 0.175 17645
6239 1 16 . 1 1 16 16 LEU N N 31 118.473 118.473 120.290 -1.817 17645
6240 1 16 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.271 -0.294 17645
6241 1 16 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.908 -0.828 17645
6242 1 16 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.795 -0.475 17645
6243 1 16 . 1 1 16 16 LEU H H 31 7.595 7.595 8.320 -0.725 17645
6244 1 16 . 1 1 17 17 ASP N N 32 120.020 120.020 119.268 0.752 17645
6245 1 16 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.321 0.118 17645
6246 1 16 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.996 -0.016 17645
6247 1 16 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.445 0.435 17645
6248 1 16 . 1 1 17 17 ASP H H 32 7.858 7.858 7.826 0.032 17645
6249 1 16 . 1 1 18 18 LYS N N 33 119.708 119.708 120.519 -0.811 17645
6250 1 16 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.987 0.211 17645
6251 1 16 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.893 -0.423 17645
6252 1 16 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.589 0.601 17645
6253 1 16 . 1 1 18 18 LYS H H 33 7.564 7.564 7.652 -0.088 17645
6254 1 16 . 1 1 19 19 PHE N N 34 118.256 118.256 119.362 -1.106 17645
6255 1 16 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.207 0.044 17645
6256 1 16 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.466 0.244 17645
6257 1 16 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.113 0.637 17645
6258 1 16 . 1 1 19 19 PHE H H 34 7.884 7.884 7.635 0.249 17645
6259 1 16 . 1 1 20 20 ASN N N 35 117.779 117.779 117.875 -0.096 17645
6260 1 16 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.416 0.044 17645
6261 1 16 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.110 0.240 17645
6262 1 16 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.212 0.788 17645
6263 1 16 . 1 1 20 20 ASN H H 35 8.054 8.054 8.186 -0.132 17645
6264 1 16 . 1 1 21 21 GLU N N 36 120.312 120.312 120.555 -0.243 17645
6265 1 16 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.085 0.021 17645
6266 1 16 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.414 0.356 17645
6267 1 16 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.417 1.093 17645
6268 1 16 . 1 1 21 21 GLU H H 36 7.983 7.983 7.802 0.181 17645
6269 1 16 . 1 1 22 22 VAL N N 37 119.756 119.756 119.061 0.695 17645
6270 1 16 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.790 0.052 17645
6271 1 16 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.103 0.007 17645
6272 1 16 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.951 1.729 17645
6273 1 16 . 1 1 22 22 VAL H H 37 7.670 7.670 7.842 -0.172 17645
6274 1 16 . 1 1 23 23 VAL N N 38 118.300 118.300 119.277 -0.977 17645
6275 1 16 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.724 -0.047 17645
6276 1 16 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.497 1.053 17645
6277 1 16 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.302 2.178 17645
6278 1 16 . 1 1 23 23 VAL H H 38 8.159 8.159 8.218 -0.059 17645
6279 1 16 . 1 1 24 24 SER N N 39 113.952 113.952 116.046 -2.094 17645
6280 1 16 . 1 1 24 24 SER HA H 39 4.170 4.170 4.306 -0.136 17645
6281 1 16 . 1 1 24 24 SER CA C 39 61.880 61.880 61.675 0.205 17645
6282 1 16 . 1 1 24 24 SER CB C 39 63.740 63.740 63.030 0.710 17645
6283 1 16 . 1 1 24 24 SER H H 39 7.773 7.773 8.352 -0.579 17645
6284 1 16 . 1 1 25 25 ALA N N 40 122.572 122.572 123.915 -1.343 17645
6285 1 16 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.122 0.303 17645
6286 1 16 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.792 -1.912 17645
6287 1 16 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.775 1.675 17645
6288 1 16 . 1 1 25 25 ALA H H 40 7.436 7.436 7.703 -0.267 17645
6289 1 16 . 1 1 26 26 LEU N N 41 120.677 120.677 113.753 6.924 17645
6290 1 16 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.364 0.017 17645
6291 1 16 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.127 0.733 17645
6292 1 16 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.127 1.062 17645
6293 1 16 . 1 1 26 26 LEU H H 41 7.499 7.499 7.375 0.124 17645
6294 1 16 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.960 0.325 17645
6295 1 16 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.679 0.571 17645
6296 1 16 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.090 1.780 17645
6297 1 16 . 1 1 28 28 ASP N N 43 120.989 120.989 116.732 4.257 17645
6298 1 16 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.407 0.394 17645
6299 1 16 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.105 -0.545 17645
6300 1 16 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.152 2.288 17645
6301 1 16 . 1 1 28 28 ASP H H 43 8.513 8.513 8.401 0.112 17645
6302 1 16 . 1 1 29 29 GLY N N 44 108.379 108.379 108.913 -0.534 17645
6303 1 16 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.809 0.731 17645
6304 1 16 . 1 1 29 29 GLY H H 44 8.425 8.425 8.493 -0.068 17645
6305 1 16 . 1 1 30 30 LYS N N 45 119.932 119.932 119.977 -0.045 17645
6306 1 16 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.112 -0.033 17645
6307 1 16 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.994 0.526 17645
6308 1 16 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.506 0.564 17645
6309 1 16 . 1 1 30 30 LYS H H 45 8.269 8.269 8.536 -0.267 17645
6310 1 16 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.271 0.037 17645
6311 1 16 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.216 0.824 17645
6312 1 16 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.303 0.517 17645
6313 1 16 . 1 1 32 32 GLU N N 47 118.526 118.526 117.836 0.690 17645
6314 1 16 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.083 0.050 17645
6315 1 16 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.872 0.298 17645
6316 1 16 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.149 0.761 17645
6317 1 16 . 1 1 32 32 GLU H H 47 8.189 8.189 8.415 -0.226 17645
6318 1 16 . 1 1 33 33 VAL N N 48 120.183 120.183 119.957 0.226 17645
6319 1 16 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.587 0.325 17645
6320 1 16 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.340 -0.040 17645
6321 1 16 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.085 1.275 17645
6322 1 16 . 1 1 33 33 VAL H H 48 7.744 7.744 8.145 -0.401 17645
6323 1 16 . 1 1 34 34 ASN N N 49 119.700 119.700 117.983 1.717 17645
6324 1 16 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.384 0.066 17645
6325 1 16 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.095 0.955 17645
6326 1 16 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.858 0.792 17645
6327 1 16 . 1 1 34 34 ASN H H 49 8.582 8.582 8.700 -0.118 17645
6328 1 16 . 1 1 35 35 ARG N N 50 121.009 121.009 121.144 -0.135 17645
6329 1 16 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.034 0.103 17645
6330 1 16 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.410 0.360 17645
6331 1 16 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.199 0.571 17645
6332 1 16 . 1 1 35 35 ARG H H 50 7.848 7.848 7.803 0.045 17645
6333 1 16 . 1 1 36 36 GLN N N 51 119.394 119.394 119.339 0.055 17645
6334 1 16 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.077 -0.014 17645
6335 1 16 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.925 1.085 17645
6336 1 16 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.952 0.818 17645
6337 1 16 . 1 1 36 36 GLN H H 51 7.685 7.685 7.737 -0.052 17645
6338 1 16 . 1 1 37 37 ILE N N 52 122.006 122.006 119.709 2.297 17645
6339 1 16 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.637 -0.183 17645
6340 1 16 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.748 0.553 17645
6341 1 16 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.524 1.376 17645
6342 1 16 . 1 1 37 37 ILE H H 52 8.293 8.293 8.855 -0.562 17645
6343 1 16 . 1 1 38 38 LYS N N 53 121.163 121.163 120.293 0.870 17645
6344 1 16 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.015 0.156 17645
6345 1 16 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.237 -0.187 17645
6346 1 16 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.941 -0.011 17645
6347 1 16 . 1 1 38 38 LYS H H 53 8.169 8.169 7.677 0.492 17645
6348 1 16 . 1 1 39 39 ASN N N 54 117.219 117.219 118.694 -1.475 17645
6349 1 16 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.410 0.073 17645
6350 1 16 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.063 0.547 17645
6351 1 16 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.883 0.557 17645
6352 1 16 . 1 1 39 39 ASN H H 54 8.171 8.171 7.743 0.428 17645
6353 1 16 . 1 1 40 40 LEU N N 55 123.907 123.907 120.378 3.529 17645
6354 1 16 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.028 0.177 17645
6355 1 16 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.191 0.649 17645
6356 1 16 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.139 0.931 17645
6357 1 16 . 1 1 40 40 LEU H H 55 7.702 7.702 7.952 -0.250 17645
6358 1 16 . 1 1 41 41 GLU N N 56 121.779 121.779 119.324 2.455 17645
6359 1 16 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.962 -0.260 17645
6360 1 16 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.849 1.601 17645
6361 1 16 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.701 0.629 17645
6362 1 16 . 1 1 41 41 GLU H H 56 8.442 8.442 7.758 0.684 17645
6363 1 16 . 1 1 42 42 ILE N N 57 119.133 119.133 119.890 -0.757 17645
6364 1 16 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.722 0.161 17645
6365 1 16 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.333 0.217 17645
6366 1 16 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.870 1.080 17645
6367 1 16 . 1 1 42 42 ILE H H 57 8.531 8.531 8.459 0.072 17645
6368 1 16 . 1 1 43 43 SER N N 58 118.622 118.622 116.549 2.073 17645
6369 1 16 . 1 1 43 43 SER HA H 58 4.322 4.322 4.010 0.312 17645
6370 1 16 . 1 1 43 43 SER CA C 58 62.940 62.940 62.145 0.795 17645
6371 1 16 . 1 1 43 43 SER CB C 58 63.500 63.500 63.066 0.434 17645
6372 1 16 . 1 1 43 43 SER H H 58 8.027 8.027 7.941 0.086 17645
6373 1 16 . 1 1 44 44 ILE N N 59 126.416 126.416 122.585 3.831 17645
6374 1 16 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.575 0.053 17645
6375 1 16 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.642 1.268 17645
6376 1 16 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.772 1.388 17645
6377 1 16 . 1 1 44 44 ILE H H 59 8.543 8.543 8.503 0.040 17645
6378 1 16 . 1 1 45 45 ASP N N 60 121.563 121.563 119.706 1.857 17645
6379 1 16 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.307 0.100 17645
6380 1 16 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.417 0.863 17645
6381 1 16 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.135 0.625 17645
6382 1 16 . 1 1 45 45 ASP H H 60 8.406 8.406 8.114 0.292 17645
6383 1 16 . 1 1 46 46 ALA N N 61 123.500 123.500 122.443 1.057 17645
6384 1 16 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.064 0.138 17645
6385 1 16 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.013 0.697 17645
6386 1 16 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.499 0.161 17645
6387 1 16 . 1 1 46 46 ALA H H 61 8.538 8.538 8.065 0.473 17645
6388 1 16 . 1 1 47 47 LEU N N 62 121.942 121.942 119.605 2.337 17645
6389 1 16 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.839 0.455 17645
6390 1 16 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.841 -0.181 17645
6391 1 16 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.803 -0.663 17645
6392 1 16 . 1 1 47 47 LEU H H 62 7.801 7.801 7.680 0.121 17645
6393 1 16 . 1 1 48 48 MET N N 63 118.068 118.068 116.692 1.376 17645
6394 1 16 . 1 1 48 48 MET HA H 63 3.945 3.945 3.929 0.016 17645
6395 1 16 . 1 1 48 48 MET CA C 63 60.330 60.330 58.685 1.645 17645
6396 1 16 . 1 1 48 48 MET CB C 63 33.110 33.110 30.977 2.133 17645
6397 1 16 . 1 1 48 48 MET H H 63 8.261 8.261 7.760 0.501 17645
6398 1 16 . 1 1 49 49 ALA N N 64 120.428 120.428 120.743 -0.315 17645
6399 1 16 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.138 -0.037 17645
6400 1 16 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.650 1.120 17645
6401 1 16 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.198 0.572 17645
6402 1 16 . 1 1 49 49 ALA H H 64 8.045 8.045 7.931 0.114 17645
6403 1 16 . 1 1 50 50 LYS N N 65 121.947 121.947 117.729 4.218 17645
6404 1 16 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.236 -0.197 17645
6405 1 16 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.436 2.084 17645
6406 1 16 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.138 0.542 17645
6407 1 16 . 1 1 50 50 LYS H H 65 8.063 8.063 7.774 0.289 17645
6408 1 16 . 1 1 51 51 ILE N N 66 121.189 121.189 118.546 2.643 17645
6409 1 16 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.912 -0.162 17645
6410 1 16 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.608 3.132 17645
6411 1 16 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.222 1.897 17645
6412 1 16 . 1 1 51 51 ILE H H 66 8.437 8.437 8.330 0.107 17645
6413 1 16 . 1 1 52 52 LYS N N 67 117.119 117.119 118.203 -1.084 17645
6414 1 16 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.312 -0.176 17645
6415 1 16 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.246 1.964 17645
6416 1 16 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.203 0.477 17645
6417 1 16 . 1 1 52 52 LYS H H 67 7.622 7.622 7.736 -0.114 17645
6418 1 16 . 1 1 53 53 SER N N 68 111.824 111.824 113.597 -1.773 17645
6419 1 16 . 1 1 53 53 SER HA H 68 4.602 4.602 4.583 0.019 17645
6420 1 16 . 1 1 53 53 SER CA C 68 59.960 59.960 58.372 1.588 17645
6421 1 16 . 1 1 53 53 SER CB C 68 65.750 65.750 63.720 2.030 17645
6422 1 16 . 1 1 53 53 SER H H 68 7.750 7.750 7.424 0.326 17645
6423 1 16 . 1 1 54 54 THR N N 69 115.916 115.916 112.514 3.402 17645
6424 1 16 . 1 1 54 54 THR HA H 69 4.596 4.596 4.476 0.120 17645
6425 1 16 . 1 1 54 54 THR CA C 69 62.460 62.460 61.384 1.076 17645
6426 1 16 . 1 1 54 54 THR CB C 69 71.650 71.650 70.288 1.362 17645
6427 1 16 . 1 1 54 54 THR H H 69 7.972 7.972 7.453 0.519 17645
6428 1 16 . 1 1 55 55 MET N N 70 121.343 121.343 122.084 -0.741 17645
6429 1 16 . 1 1 55 55 MET HA H 70 4.551 4.551 4.660 -0.109 17645
6430 1 16 . 1 1 55 55 MET CA C 70 56.050 56.050 54.356 1.694 17645
6431 1 16 . 1 1 55 55 MET CB C 70 32.500 32.500 32.396 0.104 17645
6432 1 16 . 1 1 55 55 MET H H 70 8.306 8.306 8.586 -0.280 17645
6433 1 16 . 1 1 56 56 MET N N 71 123.196 123.196 120.343 2.853 17645
6434 1 16 . 1 1 56 56 MET HA H 71 4.706 4.706 4.392 0.314 17645
6435 1 16 . 1 1 56 56 MET CA C 71 55.860 55.860 56.189 -0.329 17645
6436 1 16 . 1 1 56 56 MET CB C 71 37.620 37.620 32.886 4.734 17645
6437 1 16 . 1 1 56 56 MET H H 71 8.114 8.114 7.520 0.594 17645
6438 1 16 . 1 1 57 57 THR N N 72 113.158 113.158 116.939 -3.781 17645
6439 1 16 . 1 1 57 57 THR HA H 72 4.483 4.483 4.419 0.064 17645
6440 1 16 . 1 1 57 57 THR CA C 72 61.080 61.080 62.354 -1.274 17645
6441 1 16 . 1 1 57 57 THR CB C 72 71.670 71.670 69.599 2.071 17645
6442 1 16 . 1 1 57 57 THR H H 72 8.486 8.486 8.255 0.231 17645
6443 1 16 . 1 1 58 58 ARG N N 73 121.911 121.911 125.440 -3.529 17645
6444 1 16 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.981 -0.072 17645
6445 1 16 . 1 1 58 58 ARG CA C 73 60.520 60.520 58.870 1.650 17645
6446 1 16 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.658 0.672 17645
6447 1 16 . 1 1 58 58 ARG H H 73 8.961 8.961 8.806 0.155 17645
6448 1 16 . 1 1 59 59 GLU N N 74 118.955 118.955 119.073 -0.118 17645
6449 1 16 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.996 0.036 17645
6450 1 16 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.891 0.999 17645
6451 1 16 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.977 0.983 17645
6452 1 16 . 1 1 59 59 GLU H H 74 8.833 8.833 8.739 0.094 17645
6453 1 16 . 1 1 60 60 GLN N N 75 121.077 121.077 118.349 2.728 17645
6454 1 16 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645
6455 1 16 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.461 0.939 17645
6456 1 16 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.259 1.131 17645
6457 1 16 . 1 1 60 60 GLN H H 75 7.801 7.801 7.611 0.190 17645
6458 1 16 . 1 1 61 61 ILE N N 76 120.016 120.016 119.662 0.354 17645
6459 1 16 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.301 -0.872 17645
6460 1 16 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.743 4.117 17645
6461 1 16 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.931 1.778 17645
6462 1 16 . 1 1 61 61 ILE H H 76 8.250 8.250 7.435 0.815 17645
6463 1 16 . 1 1 62 62 GLN N N 77 119.153 119.153 120.127 -0.974 17645
6464 1 16 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.057 -0.290 17645
6465 1 16 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.545 0.225 17645
6466 1 16 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.469 0.611 17645
6467 1 16 . 1 1 62 62 GLN H H 77 8.295 8.295 8.018 0.277 17645
6468 1 16 . 1 1 63 63 LYS N N 78 118.200 118.200 119.222 -1.022 17645
6469 1 16 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.008 0.146 17645
6470 1 16 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.413 0.737 17645
6471 1 16 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.137 1.173 17645
6472 1 16 . 1 1 63 63 LYS H H 78 7.839 7.839 7.851 -0.012 17645
6473 1 16 . 1 1 64 64 GLU N N 79 120.133 120.133 118.925 1.208 17645
6474 1 16 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.000 0.142 17645
6475 1 16 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.427 0.903 17645
6476 1 16 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.369 1.241 17645
6477 1 16 . 1 1 64 64 GLU H H 79 7.899 7.899 7.972 -0.073 17645
6478 1 16 . 1 1 65 65 TYR N N 80 122.505 122.505 119.695 2.810 17645
6479 1 16 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.213 -0.271 17645
6480 1 16 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.215 1.545 17645
6481 1 16 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.492 0.978 17645
6482 1 16 . 1 1 65 65 TYR H H 80 9.023 9.023 7.995 1.028 17645
6483 1 16 . 1 1 66 66 ASP N N 81 120.497 120.497 119.513 0.984 17645
6484 1 16 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.468 -0.251 17645
6485 1 16 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.260 0.840 17645
6486 1 16 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.800 -0.160 17645
6487 1 16 . 1 1 66 66 ASP H H 81 9.089 9.089 7.805 1.284 17645
6488 1 16 . 1 1 67 67 ALA N N 82 122.397 122.397 122.801 -0.404 17645
6489 1 16 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.102 0.085 17645
6490 1 16 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.188 0.642 17645
6491 1 16 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.407 0.513 17645
6492 1 16 . 1 1 67 67 ALA H H 82 7.636 7.636 8.336 -0.700 17645
6493 1 16 . 1 1 68 68 LEU N N 83 121.806 121.806 118.015 3.791 17645
6494 1 16 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.032 0.113 17645
6495 1 16 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.441 0.839 17645
6496 1 16 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.979 0.881 17645
6497 1 16 . 1 1 68 68 LEU H H 83 7.727 7.727 7.638 0.089 17645
6498 1 16 . 1 1 69 69 VAL N N 84 123.560 123.560 120.422 3.138 17645
6499 1 16 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.655 -0.350 17645
6500 1 16 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.822 1.218 17645
6501 1 16 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.383 0.807 17645
6502 1 16 . 1 1 69 69 VAL H H 84 8.560 8.560 7.812 0.748 17645
6503 1 16 . 1 1 70 70 LYS N N 85 121.398 121.398 120.709 0.689 17645
6504 1 16 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.098 -0.006 17645
6505 1 16 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.185 1.065 17645
6506 1 16 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.155 0.605 17645
6507 1 16 . 1 1 70 70 LYS H H 85 7.956 7.956 8.531 -0.575 17645
6508 1 16 . 1 1 71 71 SER N N 86 114.825 114.825 115.933 -1.108 17645
6509 1 16 . 1 1 71 71 SER HA H 86 4.298 4.298 4.153 0.145 17645
6510 1 16 . 1 1 71 71 SER CA C 86 62.810 62.810 61.462 1.348 17645
6511 1 16 . 1 1 71 71 SER CB C 86 63.640 63.640 62.951 0.689 17645
6512 1 16 . 1 1 71 71 SER H H 86 8.284 8.284 7.938 0.346 17645
6513 1 16 . 1 1 72 72 SER N N 87 118.845 118.845 117.919 0.926 17645
6514 1 16 . 1 1 72 72 SER HA H 87 4.269 4.269 3.913 0.356 17645
6515 1 16 . 1 1 72 72 SER CA C 87 62.940 62.940 62.284 0.656 17645
6516 1 16 . 1 1 72 72 SER CB C 87 63.870 63.870 63.011 0.859 17645
6517 1 16 . 1 1 72 72 SER H H 87 8.421 8.421 8.037 0.384 17645
6518 1 16 . 1 1 73 73 GLU N N 88 124.809 124.809 120.880 3.929 17645
6519 1 16 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.963 0.089 17645
6520 1 16 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.502 0.728 17645
6521 1 16 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.421 0.809 17645
6522 1 16 . 1 1 73 73 GLU H H 88 8.376 8.376 7.855 0.521 17645
6523 1 16 . 1 1 74 74 ASP N N 89 122.193 122.193 119.430 2.763 17645
6524 1 16 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.402 0.009 17645
6525 1 16 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.496 0.414 17645
6526 1 16 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.748 -0.168 17645
6527 1 16 . 1 1 74 74 ASP H H 89 8.734 8.734 7.860 0.874 17645
6528 1 16 . 1 1 75 75 LEU N N 90 123.280 123.280 121.466 1.814 17645
6529 1 16 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.023 0.267 17645
6530 1 16 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.669 0.891 17645
6531 1 16 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.889 0.141 17645
6532 1 16 . 1 1 75 75 LEU H H 90 7.986 7.986 7.132 0.854 17645
6533 1 16 . 1 1 76 76 LEU N N 91 120.488 120.488 118.843 1.645 17645
6534 1 16 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.749 0.089 17645
6535 1 16 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.270 0.930 17645
6536 1 16 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.998 0.512 17645
6537 1 16 . 1 1 76 76 LEU H H 91 8.280 8.280 7.990 0.290 17645
6538 1 16 . 1 1 77 77 SER N N 92 113.817 113.817 114.888 -1.071 17645
6539 1 16 . 1 1 77 77 SER HA H 92 4.235 4.235 4.269 -0.034 17645
6540 1 16 . 1 1 77 77 SER CA C 92 62.200 62.200 61.792 0.408 17645
6541 1 16 . 1 1 77 77 SER CB C 92 63.440 63.440 62.801 0.639 17645
6542 1 16 . 1 1 77 77 SER H H 92 8.219 8.219 7.960 0.259 17645
6543 1 16 . 1 1 78 78 ALA N N 93 124.902 124.902 123.815 1.087 17645
6544 1 16 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.119 0.047 17645
6545 1 16 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.857 1.003 17645
6546 1 16 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.258 0.502 17645
6547 1 16 . 1 1 78 78 ALA H H 93 7.949 7.949 7.748 0.201 17645
6548 1 16 . 1 1 79 79 LEU N N 94 120.602 120.602 119.497 1.105 17645
6549 1 16 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.833 0.234 17645
6550 1 16 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.892 0.578 17645
6551 1 16 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.848 0.762 17645
6552 1 16 . 1 1 79 79 LEU H H 94 8.587 8.587 8.063 0.524 17645
6553 1 16 . 1 1 80 80 GLN N N 95 119.525 119.525 118.827 0.698 17645
6554 1 16 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.903 0.145 17645
6555 1 16 . 1 1 80 80 GLN CA C 95 59.590 59.590 60.029 -0.439 17645
6556 1 16 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.461 0.379 17645
6557 1 16 . 1 1 80 80 GLN H H 95 8.561 8.561 8.622 -0.061 17645
6558 1 16 . 1 1 81 81 LYS N N 96 121.075 121.075 118.163 2.912 17645
6559 1 16 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.168 -0.031 17645
6560 1 16 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.091 0.959 17645
6561 1 16 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.014 0.926 17645
6562 1 16 . 1 1 81 81 LYS H H 96 8.003 8.003 7.847 0.156 17645
6563 1 16 . 1 1 82 82 LYS N N 97 121.415 121.415 120.455 0.960 17645
6564 1 16 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.007 0.118 17645
6565 1 16 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.458 0.512 17645
6566 1 16 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.380 0.740 17645
6567 1 16 . 1 1 82 82 LYS H H 97 7.903 7.903 7.742 0.161 17645
6568 1 16 . 1 1 83 83 LYS N N 98 121.081 121.081 119.503 1.578 17645
6569 1 16 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.227 -0.245 17645
6570 1 16 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.078 0.931 17645
6571 1 16 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.432 0.688 17645
6572 1 16 . 1 1 83 83 LYS H H 98 8.202 8.202 8.081 0.121 17645
6573 1 16 . 1 1 84 84 GLN N N 99 119.576 119.576 117.227 2.349 17645
6574 1 16 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.054 0.070 17645
6575 1 16 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.959 1.851 17645
6576 1 16 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.315 0.645 17645
6577 1 16 . 1 1 84 84 GLN H H 99 8.125 8.125 7.846 0.279 17645
6578 1 16 . 1 1 85 85 GLN N N 100 120.009 120.009 119.026 0.983 17645
6579 1 16 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.183 -0.062 17645
6580 1 16 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.690 1.900 17645
6581 1 16 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.766 -0.746 17645
6582 1 16 . 1 1 85 85 GLN H H 100 8.341 8.341 7.705 0.636 17645
6583 1 16 . 1 1 86 86 GLU N N 101 121.718 121.718 115.579 6.139 17645
6584 1 16 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.629 -0.494 17645
6585 1 16 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.992 4.438 17645
6586 1 16 . 1 1 86 86 GLU CB C 101 30.140 30.140 32.901 -2.761 17645
6587 1 16 . 1 1 86 86 GLU H H 101 8.275 8.275 7.927 0.348 17645
6588 1 16 . 1 1 87 87 GLU N N 102 121.412 121.412 120.707 0.705 17645
6589 1 16 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.341 -0.225 17645
6590 1 16 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.743 3.217 17645
6591 1 16 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.212 -0.922 17645
6592 1 16 . 1 1 87 87 GLU H H 102 8.330 8.330 8.683 -0.353 17645
6593 1 17 . 1 1 2 2 GLY N N 17 110.356 110.356 110.263 0.093 17645
6594 1 17 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.389 1.222 17645
6595 1 17 . 1 1 2 2 GLY H H 17 8.065 8.065 8.456 -0.391 17645
6596 1 17 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.342 0.051 17645
6597 1 17 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.919 1.751 17645
6598 1 17 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.004 0.696 17645
6599 1 17 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.326 2.404 17645
6600 1 17 . 1 1 5 5 SER HA H 20 4.192 4.192 3.972 0.220 17645
6601 1 17 . 1 1 5 5 SER CA C 20 60.960 60.960 61.509 -0.549 17645
6602 1 17 . 1 1 5 5 SER CB C 20 64.250 64.250 61.921 2.329 17645
6603 1 17 . 1 1 6 6 LEU N N 21 122.731 122.731 121.863 0.868 17645
6604 1 17 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.114 0.006 17645
6605 1 17 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.122 -0.402 17645
6606 1 17 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.657 1.313 17645
6607 1 17 . 1 1 6 6 LEU H H 21 8.052 8.052 8.233 -0.181 17645
6608 1 17 . 1 1 7 7 VAL N N 22 119.948 119.948 118.531 1.417 17645
6609 1 17 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.665 0.088 17645
6610 1 17 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.212 -0.862 17645
6611 1 17 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.649 0.951 17645
6612 1 17 . 1 1 7 7 VAL H H 22 7.676 7.676 8.091 -0.415 17645
6613 1 17 . 1 1 8 8 LYS N N 23 122.400 122.400 118.963 3.437 17645
6614 1 17 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.106 0.081 17645
6615 1 17 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.407 -0.577 17645
6616 1 17 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.382 0.178 17645
6617 1 17 . 1 1 8 8 LYS H H 23 7.830 7.830 7.619 0.211 17645
6618 1 17 . 1 1 9 9 VAL N N 24 121.205 121.205 119.636 1.569 17645
6619 1 17 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.658 0.168 17645
6620 1 17 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.756 0.104 17645
6621 1 17 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.988 1.462 17645
6622 1 17 . 1 1 9 9 VAL H H 24 8.194 8.194 7.817 0.377 17645
6623 1 17 . 1 1 10 10 GLY N N 25 107.900 107.900 106.653 1.247 17645
6624 1 17 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.541 0.119 17645
6625 1 17 . 1 1 10 10 GLY H H 25 8.446 8.446 8.609 -0.163 17645
6626 1 17 . 1 1 11 11 THR N N 26 116.800 116.800 119.258 -2.458 17645
6627 1 17 . 1 1 11 11 THR HA H 26 4.109 4.109 3.844 0.265 17645
6628 1 17 . 1 1 11 11 THR CA C 26 66.300 66.300 66.074 0.226 17645
6629 1 17 . 1 1 11 11 THR CB C 26 69.690 69.690 68.635 1.055 17645
6630 1 17 . 1 1 11 11 THR H H 26 7.992 7.992 7.664 0.328 17645
6631 1 17 . 1 1 12 12 LEU N N 27 123.983 123.983 123.256 0.727 17645
6632 1 17 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.896 0.231 17645
6633 1 17 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.167 0.303 17645
6634 1 17 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.642 1.167 17645
6635 1 17 . 1 1 12 12 LEU H H 27 7.934 7.934 7.876 0.058 17645
6636 1 17 . 1 1 13 13 LYS N N 28 117.513 117.513 118.808 -1.295 17645
6637 1 17 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.745 0.158 17645
6638 1 17 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.096 0.054 17645
6639 1 17 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.114 0.616 17645
6640 1 17 . 1 1 13 13 LYS H H 28 7.824 7.824 7.746 0.078 17645
6641 1 17 . 1 1 14 14 LYS N N 29 119.275 119.275 118.048 1.227 17645
6642 1 17 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.021 0.130 17645
6643 1 17 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.012 0.448 17645
6644 1 17 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.264 0.486 17645
6645 1 17 . 1 1 14 14 LYS H H 29 7.685 7.685 7.665 0.020 17645
6646 1 17 . 1 1 15 15 ARG N N 30 119.090 119.090 119.606 -0.516 17645
6647 1 17 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.793 0.267 17645
6648 1 17 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.683 0.347 17645
6649 1 17 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.505 1.005 17645
6650 1 17 . 1 1 15 15 ARG H H 30 7.709 7.709 7.266 0.443 17645
6651 1 17 . 1 1 16 16 LEU N N 31 118.473 118.473 120.441 -1.968 17645
6652 1 17 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.071 -0.094 17645
6653 1 17 . 1 1 16 16 LEU CA C 31 58.080 58.080 59.127 -1.046 17645
6654 1 17 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.671 -0.351 17645
6655 1 17 . 1 1 16 16 LEU H H 31 7.595 7.595 8.192 -0.597 17645
6656 1 17 . 1 1 17 17 ASP N N 32 120.020 120.020 118.611 1.409 17645
6657 1 17 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.241 0.198 17645
6658 1 17 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.420 0.560 17645
6659 1 17 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.718 0.162 17645
6660 1 17 . 1 1 17 17 ASP H H 32 7.858 7.858 7.746 0.112 17645
6661 1 17 . 1 1 18 18 LYS N N 33 119.708 119.708 120.237 -0.529 17645
6662 1 17 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.968 0.230 17645
6663 1 17 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.502 -0.032 17645
6664 1 17 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.642 0.548 17645
6665 1 17 . 1 1 18 18 LYS H H 33 7.564 7.564 7.329 0.235 17645
6666 1 17 . 1 1 19 19 PHE N N 34 118.256 118.256 117.748 0.508 17645
6667 1 17 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.190 0.061 17645
6668 1 17 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.426 0.284 17645
6669 1 17 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.755 0.995 17645
6670 1 17 . 1 1 19 19 PHE H H 34 7.884 7.884 7.422 0.462 17645
6671 1 17 . 1 1 20 20 ASN N N 35 117.779 117.779 117.685 0.094 17645
6672 1 17 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.475 -0.015 17645
6673 1 17 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.615 0.735 17645
6674 1 17 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.049 0.951 17645
6675 1 17 . 1 1 20 20 ASN H H 35 8.054 8.054 7.964 0.090 17645
6676 1 17 . 1 1 21 21 GLU N N 36 120.312 120.312 120.236 0.076 17645
6677 1 17 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.060 0.046 17645
6678 1 17 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.520 0.249 17645
6679 1 17 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.503 1.006 17645
6680 1 17 . 1 1 21 21 GLU H H 36 7.983 7.983 7.818 0.165 17645
6681 1 17 . 1 1 22 22 VAL N N 37 119.756 119.756 119.771 -0.015 17645
6682 1 17 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.714 0.128 17645
6683 1 17 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.393 -0.283 17645
6684 1 17 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.771 0.909 17645
6685 1 17 . 1 1 22 22 VAL H H 37 7.670 7.670 7.760 -0.090 17645
6686 1 17 . 1 1 23 23 VAL N N 38 118.300 118.300 119.871 -1.571 17645
6687 1 17 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.583 0.094 17645
6688 1 17 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.545 0.005 17645
6689 1 17 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.293 1.187 17645
6690 1 17 . 1 1 23 23 VAL H H 38 8.159 8.159 8.329 -0.170 17645
6691 1 17 . 1 1 24 24 SER N N 39 113.952 113.952 116.170 -2.218 17645
6692 1 17 . 1 1 24 24 SER HA H 39 4.170 4.170 4.196 -0.026 17645
6693 1 17 . 1 1 24 24 SER CA C 39 61.880 61.880 61.246 0.634 17645
6694 1 17 . 1 1 24 24 SER CB C 39 63.740 63.740 63.078 0.662 17645
6695 1 17 . 1 1 24 24 SER H H 39 7.773 7.773 8.442 -0.669 17645
6696 1 17 . 1 1 25 25 ALA N N 40 122.572 122.572 122.419 0.153 17645
6697 1 17 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.204 0.221 17645
6698 1 17 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.642 -1.762 17645
6699 1 17 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.141 1.309 17645
6700 1 17 . 1 1 25 25 ALA H H 40 7.436 7.436 7.738 -0.302 17645
6701 1 17 . 1 1 26 26 LEU N N 41 120.677 120.677 112.792 7.885 17645
6702 1 17 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.421 -0.040 17645
6703 1 17 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.037 0.823 17645
6704 1 17 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.563 0.627 17645
6705 1 17 . 1 1 26 26 LEU H H 41 7.499 7.499 7.202 0.297 17645
6706 1 17 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.953 0.332 17645
6707 1 17 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.582 0.668 17645
6708 1 17 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.481 2.389 17645
6709 1 17 . 1 1 28 28 ASP N N 43 120.989 120.989 116.132 4.857 17645
6710 1 17 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.360 0.441 17645
6711 1 17 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.340 -0.780 17645
6712 1 17 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.132 2.308 17645
6713 1 17 . 1 1 28 28 ASP H H 43 8.513 8.513 8.436 0.077 17645
6714 1 17 . 1 1 29 29 GLY N N 44 108.379 108.379 107.600 0.779 17645
6715 1 17 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.643 0.897 17645
6716 1 17 . 1 1 29 29 GLY H H 44 8.425 8.425 8.474 -0.049 17645
6717 1 17 . 1 1 30 30 LYS N N 45 119.932 119.932 119.981 -0.049 17645
6718 1 17 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.139 -0.060 17645
6719 1 17 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.579 0.941 17645
6720 1 17 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.154 0.916 17645
6721 1 17 . 1 1 30 30 LYS H H 45 8.269 8.269 8.489 -0.220 17645
6722 1 17 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.460 -0.152 17645
6723 1 17 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.862 1.178 17645
6724 1 17 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.150 0.670 17645
6725 1 17 . 1 1 32 32 GLU N N 47 118.526 118.526 117.891 0.635 17645
6726 1 17 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.069 0.064 17645
6727 1 17 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.123 1.048 17645
6728 1 17 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.725 1.185 17645
6729 1 17 . 1 1 32 32 GLU H H 47 8.189 8.189 8.714 -0.525 17645
6730 1 17 . 1 1 33 33 VAL N N 48 120.183 120.183 121.205 -1.022 17645
6731 1 17 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645
6732 1 17 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.438 -0.138 17645
6733 1 17 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.752 0.608 17645
6734 1 17 . 1 1 33 33 VAL H H 48 7.744 7.744 7.957 -0.213 17645
6735 1 17 . 1 1 34 34 ASN N N 49 119.700 119.700 117.285 2.415 17645
6736 1 17 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.425 0.025 17645
6737 1 17 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.923 1.127 17645
6738 1 17 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.626 1.024 17645
6739 1 17 . 1 1 34 34 ASN H H 49 8.582 8.582 8.829 -0.247 17645
6740 1 17 . 1 1 35 35 ARG N N 50 121.009 121.009 120.883 0.126 17645
6741 1 17 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.048 0.089 17645
6742 1 17 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.554 0.216 17645
6743 1 17 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.222 0.548 17645
6744 1 17 . 1 1 35 35 ARG H H 50 7.848 7.848 7.838 0.010 17645
6745 1 17 . 1 1 36 36 GLN N N 51 119.394 119.394 119.480 -0.086 17645
6746 1 17 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.120 -0.057 17645
6747 1 17 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.136 0.873 17645
6748 1 17 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.939 0.831 17645
6749 1 17 . 1 1 36 36 GLN H H 51 7.685 7.685 7.713 -0.028 17645
6750 1 17 . 1 1 37 37 ILE N N 52 122.006 122.006 119.263 2.743 17645
6751 1 17 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.705 -0.251 17645
6752 1 17 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.433 0.867 17645
6753 1 17 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.627 1.273 17645
6754 1 17 . 1 1 37 37 ILE H H 52 8.293 8.293 8.800 -0.507 17645
6755 1 17 . 1 1 38 38 LYS N N 53 121.163 121.163 120.947 0.216 17645
6756 1 17 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.047 0.124 17645
6757 1 17 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.172 -0.122 17645
6758 1 17 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.121 -0.191 17645
6759 1 17 . 1 1 38 38 LYS H H 53 8.169 8.169 7.894 0.275 17645
6760 1 17 . 1 1 39 39 ASN N N 54 117.219 117.219 118.288 -1.069 17645
6761 1 17 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.412 0.071 17645
6762 1 17 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.052 0.558 17645
6763 1 17 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.083 0.357 17645
6764 1 17 . 1 1 39 39 ASN H H 54 8.171 8.171 7.864 0.307 17645
6765 1 17 . 1 1 40 40 LEU N N 55 123.907 123.907 120.775 3.132 17645
6766 1 17 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.092 0.113 17645
6767 1 17 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.319 0.521 17645
6768 1 17 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.584 0.486 17645
6769 1 17 . 1 1 40 40 LEU H H 55 7.702 7.702 7.992 -0.290 17645
6770 1 17 . 1 1 41 41 GLU N N 56 121.779 121.779 120.023 1.756 17645
6771 1 17 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.908 -0.206 17645
6772 1 17 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.919 1.531 17645
6773 1 17 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.796 0.534 17645
6774 1 17 . 1 1 41 41 GLU H H 56 8.442 8.442 8.000 0.442 17645
6775 1 17 . 1 1 42 42 ILE N N 57 119.133 119.133 119.496 -0.363 17645
6776 1 17 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.725 0.158 17645
6777 1 17 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.430 0.120 17645
6778 1 17 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.912 1.038 17645
6779 1 17 . 1 1 42 42 ILE H H 57 8.531 8.531 8.462 0.069 17645
6780 1 17 . 1 1 43 43 SER N N 58 118.622 118.622 116.071 2.551 17645
6781 1 17 . 1 1 43 43 SER HA H 58 4.322 4.322 4.030 0.292 17645
6782 1 17 . 1 1 43 43 SER CA C 58 62.940 62.940 61.794 1.146 17645
6783 1 17 . 1 1 43 43 SER CB C 58 63.500 63.500 63.019 0.481 17645
6784 1 17 . 1 1 43 43 SER H H 58 8.027 8.027 7.662 0.365 17645
6785 1 17 . 1 1 44 44 ILE N N 59 126.416 126.416 122.026 4.390 17645
6786 1 17 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.555 0.073 17645
6787 1 17 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.767 1.143 17645
6788 1 17 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.772 1.388 17645
6789 1 17 . 1 1 44 44 ILE H H 59 8.543 8.543 8.366 0.177 17645
6790 1 17 . 1 1 45 45 ASP N N 60 121.563 121.563 119.573 1.990 17645
6791 1 17 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.292 0.115 17645
6792 1 17 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.588 0.692 17645
6793 1 17 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.522 0.238 17645
6794 1 17 . 1 1 45 45 ASP H H 60 8.406 8.406 7.835 0.571 17645
6795 1 17 . 1 1 46 46 ALA N N 61 123.500 123.500 122.629 0.871 17645
6796 1 17 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645
6797 1 17 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.089 0.621 17645
6798 1 17 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.472 0.188 17645
6799 1 17 . 1 1 46 46 ALA H H 61 8.538 8.538 8.013 0.525 17645
6800 1 17 . 1 1 47 47 LEU N N 62 121.942 121.942 119.738 2.204 17645
6801 1 17 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.891 0.403 17645
6802 1 17 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.575 0.085 17645
6803 1 17 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.803 -0.663 17645
6804 1 17 . 1 1 47 47 LEU H H 62 7.801 7.801 7.765 0.036 17645
6805 1 17 . 1 1 48 48 MET N N 63 118.068 118.068 118.602 -0.534 17645
6806 1 17 . 1 1 48 48 MET HA H 63 3.945 3.945 3.921 0.024 17645
6807 1 17 . 1 1 48 48 MET CA C 63 60.330 60.330 58.229 2.101 17645
6808 1 17 . 1 1 48 48 MET CB C 63 33.110 33.110 31.968 1.142 17645
6809 1 17 . 1 1 48 48 MET H H 63 8.261 8.261 7.827 0.434 17645
6810 1 17 . 1 1 49 49 ALA N N 64 120.428 120.428 118.801 1.627 17645
6811 1 17 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.054 0.047 17645
6812 1 17 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.097 0.673 17645
6813 1 17 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.094 0.676 17645
6814 1 17 . 1 1 49 49 ALA H H 64 8.045 8.045 7.967 0.078 17645
6815 1 17 . 1 1 50 50 LYS N N 65 121.947 121.947 118.161 3.786 17645
6816 1 17 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.313 -0.274 17645
6817 1 17 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.643 1.877 17645
6818 1 17 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.950 0.730 17645
6819 1 17 . 1 1 50 50 LYS H H 65 8.063 8.063 7.851 0.212 17645
6820 1 17 . 1 1 51 51 ILE N N 66 121.189 121.189 118.778 2.411 17645
6821 1 17 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.944 -0.194 17645
6822 1 17 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.232 2.508 17645
6823 1 17 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.226 1.894 17645
6824 1 17 . 1 1 51 51 ILE H H 66 8.437 8.437 8.397 0.040 17645
6825 1 17 . 1 1 52 52 LYS N N 67 117.119 117.119 117.929 -0.810 17645
6826 1 17 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.376 -0.240 17645
6827 1 17 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.232 1.978 17645
6828 1 17 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.013 0.667 17645
6829 1 17 . 1 1 52 52 LYS H H 67 7.622 7.622 7.848 -0.226 17645
6830 1 17 . 1 1 53 53 SER N N 68 111.824 111.824 114.406 -2.582 17645
6831 1 17 . 1 1 53 53 SER HA H 68 4.602 4.602 4.529 0.073 17645
6832 1 17 . 1 1 53 53 SER CA C 68 59.960 59.960 58.467 1.493 17645
6833 1 17 . 1 1 53 53 SER CB C 68 65.750 65.750 62.874 2.876 17645
6834 1 17 . 1 1 53 53 SER H H 68 7.750 7.750 7.768 -0.018 17645
6835 1 17 . 1 1 54 54 THR N N 69 115.916 115.916 110.489 5.427 17645
6836 1 17 . 1 1 54 54 THR HA H 69 4.596 4.596 4.296 0.300 17645
6837 1 17 . 1 1 54 54 THR CA C 69 62.460 62.460 61.727 0.733 17645
6838 1 17 . 1 1 54 54 THR CB C 69 71.650 71.650 70.320 1.330 17645
6839 1 17 . 1 1 54 54 THR H H 69 7.972 7.972 7.165 0.807 17645
6840 1 17 . 1 1 55 55 MET N N 70 121.343 121.343 123.835 -2.492 17645
6841 1 17 . 1 1 55 55 MET HA H 70 4.551 4.551 4.337 0.214 17645
6842 1 17 . 1 1 55 55 MET CA C 70 56.050 56.050 55.230 0.820 17645
6843 1 17 . 1 1 55 55 MET CB C 70 32.500 32.500 31.766 0.734 17645
6844 1 17 . 1 1 55 55 MET H H 70 8.306 8.306 8.753 -0.447 17645
6845 1 17 . 1 1 56 56 MET N N 71 123.196 123.196 122.007 1.189 17645
6846 1 17 . 1 1 56 56 MET HA H 71 4.706 4.706 4.403 0.303 17645
6847 1 17 . 1 1 56 56 MET CA C 71 55.860 55.860 55.075 0.785 17645
6848 1 17 . 1 1 56 56 MET CB C 71 37.620 37.620 32.549 5.071 17645
6849 1 17 . 1 1 56 56 MET H H 71 8.114 8.114 8.096 0.018 17645
6850 1 17 . 1 1 57 57 THR N N 72 113.158 113.158 119.937 -6.779 17645
6851 1 17 . 1 1 57 57 THR HA H 72 4.483 4.483 4.427 0.056 17645
6852 1 17 . 1 1 57 57 THR CA C 72 61.080 61.080 61.609 -0.529 17645
6853 1 17 . 1 1 57 57 THR CB C 72 71.670 71.670 69.904 1.766 17645
6854 1 17 . 1 1 57 57 THR H H 72 8.486 8.486 8.199 0.287 17645
6855 1 17 . 1 1 58 58 ARG N N 73 121.911 121.911 125.406 -3.495 17645
6856 1 17 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.898 0.011 17645
6857 1 17 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.537 -0.017 17645
6858 1 17 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.877 0.453 17645
6859 1 17 . 1 1 58 58 ARG H H 73 8.961 8.961 8.935 0.026 17645
6860 1 17 . 1 1 59 59 GLU N N 74 118.955 118.955 118.681 0.274 17645
6861 1 17 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.083 -0.051 17645
6862 1 17 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.722 1.168 17645
6863 1 17 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.732 1.228 17645
6864 1 17 . 1 1 59 59 GLU H H 74 8.833 8.833 8.787 0.046 17645
6865 1 17 . 1 1 60 60 GLN N N 75 121.077 121.077 118.282 2.795 17645
6866 1 17 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.134 -0.144 17645
6867 1 17 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.414 0.986 17645
6868 1 17 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.442 0.949 17645
6869 1 17 . 1 1 60 60 GLN H H 75 7.801 7.801 7.703 0.098 17645
6870 1 17 . 1 1 61 61 ILE N N 76 120.016 120.016 120.682 -0.666 17645
6871 1 17 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.862 -0.433 17645
6872 1 17 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.679 3.181 17645
6873 1 17 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.712 1.998 17645
6874 1 17 . 1 1 61 61 ILE H H 76 8.250 8.250 7.809 0.441 17645
6875 1 17 . 1 1 62 62 GLN N N 77 119.153 119.153 119.799 -0.646 17645
6876 1 17 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.035 -0.268 17645
6877 1 17 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.203 0.567 17645
6878 1 17 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.370 0.710 17645
6879 1 17 . 1 1 62 62 GLN H H 77 8.295 8.295 8.197 0.098 17645
6880 1 17 . 1 1 63 63 LYS N N 78 118.200 118.200 120.536 -2.336 17645
6881 1 17 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.047 0.107 17645
6882 1 17 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.148 1.002 17645
6883 1 17 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.307 1.003 17645
6884 1 17 . 1 1 63 63 LYS H H 78 7.839 7.839 7.861 -0.022 17645
6885 1 17 . 1 1 64 64 GLU N N 79 120.133 120.133 119.758 0.375 17645
6886 1 17 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.985 0.157 17645
6887 1 17 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.720 0.610 17645
6888 1 17 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.663 0.947 17645
6889 1 17 . 1 1 64 64 GLU H H 79 7.899 7.899 8.171 -0.272 17645
6890 1 17 . 1 1 65 65 TYR N N 80 122.505 122.505 119.423 3.082 17645
6891 1 17 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645
6892 1 17 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.338 1.422 17645
6893 1 17 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.484 0.986 17645
6894 1 17 . 1 1 65 65 TYR H H 80 9.023 9.023 7.956 1.067 17645
6895 1 17 . 1 1 66 66 ASP N N 81 120.497 120.497 119.569 0.928 17645
6896 1 17 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.482 -0.265 17645
6897 1 17 . 1 1 66 66 ASP CA C 81 58.100 58.100 56.685 1.415 17645
6898 1 17 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.383 0.258 17645
6899 1 17 . 1 1 66 66 ASP H H 81 9.089 9.089 7.766 1.323 17645
6900 1 17 . 1 1 67 67 ALA N N 82 122.397 122.397 122.647 -0.250 17645
6901 1 17 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.011 0.176 17645
6902 1 17 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.337 0.492 17645
6903 1 17 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.614 0.306 17645
6904 1 17 . 1 1 67 67 ALA H H 82 7.636 7.636 8.220 -0.584 17645
6905 1 17 . 1 1 68 68 LEU N N 83 121.806 121.806 118.078 3.728 17645
6906 1 17 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.044 0.101 17645
6907 1 17 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.854 0.426 17645
6908 1 17 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.983 0.877 17645
6909 1 17 . 1 1 68 68 LEU H H 83 7.727 7.727 7.744 -0.017 17645
6910 1 17 . 1 1 69 69 VAL N N 84 123.560 123.560 120.656 2.904 17645
6911 1 17 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.659 -0.354 17645
6912 1 17 . 1 1 69 69 VAL CA C 84 68.040 68.040 67.053 0.987 17645
6913 1 17 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.365 0.825 17645
6914 1 17 . 1 1 69 69 VAL H H 84 8.560 8.560 7.770 0.790 17645
6915 1 17 . 1 1 70 70 LYS N N 85 121.398 121.398 121.104 0.294 17645
6916 1 17 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.107 -0.015 17645
6917 1 17 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.443 0.807 17645
6918 1 17 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.112 0.648 17645
6919 1 17 . 1 1 70 70 LYS H H 85 7.956 7.956 8.607 -0.651 17645
6920 1 17 . 1 1 71 71 SER N N 86 114.825 114.825 115.834 -1.009 17645
6921 1 17 . 1 1 71 71 SER HA H 86 4.298 4.298 4.177 0.121 17645
6922 1 17 . 1 1 71 71 SER CA C 86 62.810 62.810 62.045 0.765 17645
6923 1 17 . 1 1 71 71 SER CB C 86 63.640 63.640 62.945 0.695 17645
6924 1 17 . 1 1 71 71 SER H H 86 8.284 8.284 7.904 0.380 17645
6925 1 17 . 1 1 72 72 SER N N 87 118.845 118.845 117.984 0.861 17645
6926 1 17 . 1 1 72 72 SER HA H 87 4.269 4.269 3.959 0.310 17645
6927 1 17 . 1 1 72 72 SER CA C 87 62.940 62.940 61.758 1.182 17645
6928 1 17 . 1 1 72 72 SER CB C 87 63.870 63.870 62.788 1.082 17645
6929 1 17 . 1 1 72 72 SER H H 87 8.421 8.421 8.258 0.163 17645
6930 1 17 . 1 1 73 73 GLU N N 88 124.809 124.809 121.823 2.986 17645
6931 1 17 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.884 0.168 17645
6932 1 17 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.535 0.695 17645
6933 1 17 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.501 0.729 17645
6934 1 17 . 1 1 73 73 GLU H H 88 8.376 8.376 8.143 0.233 17645
6935 1 17 . 1 1 74 74 ASP N N 89 122.193 122.193 119.746 2.447 17645
6936 1 17 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.384 0.027 17645
6937 1 17 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.626 0.284 17645
6938 1 17 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.720 -0.140 17645
6939 1 17 . 1 1 74 74 ASP H H 89 8.734 8.734 7.805 0.929 17645
6940 1 17 . 1 1 75 75 LEU N N 90 123.280 123.280 121.188 2.092 17645
6941 1 17 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.893 0.397 17645
6942 1 17 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.975 0.585 17645
6943 1 17 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.711 0.319 17645
6944 1 17 . 1 1 75 75 LEU H H 90 7.986 7.986 7.199 0.787 17645
6945 1 17 . 1 1 76 76 LEU N N 91 120.488 120.488 118.897 1.591 17645
6946 1 17 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.746 0.092 17645
6947 1 17 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.398 0.802 17645
6948 1 17 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.969 0.541 17645
6949 1 17 . 1 1 76 76 LEU H H 91 8.280 8.280 7.998 0.282 17645
6950 1 17 . 1 1 77 77 SER N N 92 113.817 113.817 114.947 -1.130 17645
6951 1 17 . 1 1 77 77 SER HA H 92 4.235 4.235 4.201 0.034 17645
6952 1 17 . 1 1 77 77 SER CA C 92 62.200 62.200 61.867 0.333 17645
6953 1 17 . 1 1 77 77 SER CB C 92 63.440 63.440 63.051 0.389 17645
6954 1 17 . 1 1 77 77 SER H H 92 8.219 8.219 8.133 0.086 17645
6955 1 17 . 1 1 78 78 ALA N N 93 124.902 124.902 124.358 0.544 17645
6956 1 17 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.082 0.084 17645
6957 1 17 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.007 0.853 17645
6958 1 17 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.198 0.562 17645
6959 1 17 . 1 1 78 78 ALA H H 93 7.949 7.949 8.064 -0.115 17645
6960 1 17 . 1 1 79 79 LEU N N 94 120.602 120.602 120.278 0.324 17645
6961 1 17 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.896 0.171 17645
6962 1 17 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.530 -0.060 17645
6963 1 17 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.936 0.674 17645
6964 1 17 . 1 1 79 79 LEU H H 94 8.587 8.587 8.314 0.273 17645
6965 1 17 . 1 1 80 80 GLN N N 95 119.525 119.525 118.247 1.278 17645
6966 1 17 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.868 0.180 17645
6967 1 17 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.728 -0.138 17645
6968 1 17 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.449 0.391 17645
6969 1 17 . 1 1 80 80 GLN H H 95 8.561 8.561 8.523 0.038 17645
6970 1 17 . 1 1 81 81 LYS N N 96 121.075 121.075 119.786 1.289 17645
6971 1 17 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.919 0.218 17645
6972 1 17 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.634 0.416 17645
6973 1 17 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.258 0.682 17645
6974 1 17 . 1 1 81 81 LYS H H 96 8.003 8.003 7.815 0.188 17645
6975 1 17 . 1 1 82 82 LYS N N 97 121.415 121.415 118.334 3.081 17645
6976 1 17 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.932 0.193 17645
6977 1 17 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.926 0.044 17645
6978 1 17 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.195 0.925 17645
6979 1 17 . 1 1 82 82 LYS H H 97 7.903 7.903 7.808 0.095 17645
6980 1 17 . 1 1 83 83 LYS N N 98 121.081 121.081 119.653 1.428 17645
6981 1 17 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.035 -0.053 17645
6982 1 17 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.088 0.922 17645
6983 1 17 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.325 0.795 17645
6984 1 17 . 1 1 83 83 LYS H H 98 8.202 8.202 7.739 0.463 17645
6985 1 17 . 1 1 84 84 GLN N N 99 119.576 119.576 117.581 1.995 17645
6986 1 17 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.070 0.054 17645
6987 1 17 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.001 1.809 17645
6988 1 17 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.366 0.594 17645
6989 1 17 . 1 1 84 84 GLN H H 99 8.125 8.125 8.112 0.013 17645
6990 1 17 . 1 1 85 85 GLN N N 100 120.009 120.009 119.174 0.835 17645
6991 1 17 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.206 -0.085 17645
6992 1 17 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.755 2.835 17645
6993 1 17 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.527 -0.507 17645
6994 1 17 . 1 1 85 85 GLN H H 100 8.341 8.341 7.885 0.456 17645
6995 1 17 . 1 1 86 86 GLU N N 101 121.718 121.718 116.146 5.572 17645
6996 1 17 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.994 0.141 17645
6997 1 17 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.641 2.789 17645
6998 1 17 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.722 0.418 17645
6999 1 17 . 1 1 86 86 GLU H H 101 8.275 8.275 7.970 0.305 17645
7000 1 17 . 1 1 87 87 GLU N N 102 121.412 121.412 119.164 2.248 17645
7001 1 17 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.465 -0.349 17645
7002 1 17 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.709 3.251 17645
7003 1 17 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.217 0.073 17645
7004 1 17 . 1 1 87 87 GLU H H 102 8.330 8.330 8.484 -0.154 17645
7005 1 18 . 1 1 2 2 GLY N N 17 110.356 110.356 110.409 -0.053 17645
7006 1 18 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.429 1.181 17645
7007 1 18 . 1 1 2 2 GLY H H 17 8.065 8.065 8.231 -0.166 17645
7008 1 18 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.283 0.110 17645
7009 1 18 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.141 1.529 17645
7010 1 18 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.332 1.368 17645
7011 1 18 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.880 1.850 17645
7012 1 18 . 1 1 5 5 SER HA H 20 4.192 4.192 4.391 -0.199 17645
7013 1 18 . 1 1 5 5 SER CA C 20 60.960 60.960 59.434 1.526 17645
7014 1 18 . 1 1 5 5 SER CB C 20 64.250 64.250 63.596 0.654 17645
7015 1 18 . 1 1 6 6 LEU N N 21 122.731 122.731 122.955 -0.224 17645
7016 1 18 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.043 0.077 17645
7017 1 18 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.358 -0.638 17645
7018 1 18 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.425 1.545 17645
7019 1 18 . 1 1 6 6 LEU H H 21 8.052 8.052 8.202 -0.150 17645
7020 1 18 . 1 1 7 7 VAL N N 22 119.948 119.948 118.688 1.260 17645
7021 1 18 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.634 0.119 17645
7022 1 18 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.050 -0.700 17645
7023 1 18 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.429 1.171 17645
7024 1 18 . 1 1 7 7 VAL H H 22 7.676 7.676 8.238 -0.562 17645
7025 1 18 . 1 1 8 8 LYS N N 23 122.400 122.400 119.346 3.054 17645
7026 1 18 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.036 0.151 17645
7027 1 18 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.463 -0.633 17645
7028 1 18 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.000 0.560 17645
7029 1 18 . 1 1 8 8 LYS H H 23 7.830 7.830 7.440 0.390 17645
7030 1 18 . 1 1 9 9 VAL N N 24 121.205 121.205 119.137 2.068 17645
7031 1 18 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.828 -0.002 17645
7032 1 18 . 1 1 9 9 VAL CA C 24 66.860 66.860 65.780 1.080 17645
7033 1 18 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.806 1.644 17645
7034 1 18 . 1 1 9 9 VAL H H 24 8.194 8.194 8.180 0.014 17645
7035 1 18 . 1 1 10 10 GLY N N 25 107.900 107.900 106.693 1.207 17645
7036 1 18 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.674 -0.014 17645
7037 1 18 . 1 1 10 10 GLY H H 25 8.446 8.446 8.594 -0.148 17645
7038 1 18 . 1 1 11 11 THR N N 26 116.800 116.800 118.977 -2.177 17645
7039 1 18 . 1 1 11 11 THR HA H 26 4.109 4.109 3.973 0.136 17645
7040 1 18 . 1 1 11 11 THR CA C 26 66.300 66.300 66.677 -0.377 17645
7041 1 18 . 1 1 11 11 THR CB C 26 69.690 69.690 68.367 1.323 17645
7042 1 18 . 1 1 11 11 THR H H 26 7.992 7.992 7.624 0.368 17645
7043 1 18 . 1 1 12 12 LEU N N 27 123.983 123.983 122.652 1.331 17645
7044 1 18 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.007 0.120 17645
7045 1 18 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.559 0.912 17645
7046 1 18 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.182 1.627 17645
7047 1 18 . 1 1 12 12 LEU H H 27 7.934 7.934 7.958 -0.024 17645
7048 1 18 . 1 1 13 13 LYS N N 28 117.513 117.513 119.093 -1.580 17645
7049 1 18 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.839 0.064 17645
7050 1 18 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.270 -0.120 17645
7051 1 18 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.197 0.533 17645
7052 1 18 . 1 1 13 13 LYS H H 28 7.824 7.824 7.794 0.030 17645
7053 1 18 . 1 1 14 14 LYS N N 29 119.275 119.275 118.580 0.695 17645
7054 1 18 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.988 0.163 17645
7055 1 18 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.704 -0.244 17645
7056 1 18 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.076 0.674 17645
7057 1 18 . 1 1 14 14 LYS H H 29 7.685 7.685 7.693 -0.008 17645
7058 1 18 . 1 1 15 15 ARG N N 30 119.090 119.090 119.232 -0.142 17645
7059 1 18 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.759 0.301 17645
7060 1 18 . 1 1 15 15 ARG CA C 30 59.030 59.030 57.851 1.179 17645
7061 1 18 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.090 1.419 17645
7062 1 18 . 1 1 15 15 ARG H H 30 7.709 7.709 7.241 0.468 17645
7063 1 18 . 1 1 16 16 LEU N N 31 118.473 118.473 121.513 -3.040 17645
7064 1 18 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.982 -0.005 17645
7065 1 18 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.753 -0.673 17645
7066 1 18 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.663 -0.343 17645
7067 1 18 . 1 1 16 16 LEU H H 31 7.595 7.595 8.119 -0.524 17645
7068 1 18 . 1 1 17 17 ASP N N 32 120.020 120.020 118.570 1.450 17645
7069 1 18 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.241 0.198 17645
7070 1 18 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.550 0.430 17645
7071 1 18 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.462 0.418 17645
7072 1 18 . 1 1 17 17 ASP H H 32 7.858 7.858 7.724 0.134 17645
7073 1 18 . 1 1 18 18 LYS N N 33 119.708 119.708 120.554 -0.846 17645
7074 1 18 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.990 0.208 17645
7075 1 18 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.676 -0.206 17645
7076 1 18 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.628 0.562 17645
7077 1 18 . 1 1 18 18 LYS H H 33 7.564 7.564 7.397 0.167 17645
7078 1 18 . 1 1 19 19 PHE N N 34 118.256 118.256 117.610 0.646 17645
7079 1 18 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.191 0.060 17645
7080 1 18 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.014 0.696 17645
7081 1 18 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.602 1.148 17645
7082 1 18 . 1 1 19 19 PHE H H 34 7.884 7.884 7.336 0.548 17645
7083 1 18 . 1 1 20 20 ASN N N 35 117.779 117.779 118.178 -0.399 17645
7084 1 18 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.413 0.047 17645
7085 1 18 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.840 0.509 17645
7086 1 18 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.235 0.765 17645
7087 1 18 . 1 1 20 20 ASN H H 35 8.054 8.054 7.979 0.075 17645
7088 1 18 . 1 1 21 21 GLU N N 36 120.312 120.312 120.172 0.140 17645
7089 1 18 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.018 0.088 17645
7090 1 18 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.462 0.308 17645
7091 1 18 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.711 0.799 17645
7092 1 18 . 1 1 21 21 GLU H H 36 7.983 7.983 7.866 0.117 17645
7093 1 18 . 1 1 22 22 VAL N N 37 119.756 119.756 119.369 0.387 17645
7094 1 18 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.683 0.159 17645
7095 1 18 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.179 -0.069 17645
7096 1 18 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.671 1.009 17645
7097 1 18 . 1 1 22 22 VAL H H 37 7.670 7.670 7.772 -0.102 17645
7098 1 18 . 1 1 23 23 VAL N N 38 118.300 118.300 119.888 -1.588 17645
7099 1 18 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.642 0.035 17645
7100 1 18 . 1 1 23 23 VAL CA C 38 66.550 66.550 67.058 -0.508 17645
7101 1 18 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.626 0.854 17645
7102 1 18 . 1 1 23 23 VAL H H 38 8.159 8.159 8.532 -0.373 17645
7103 1 18 . 1 1 24 24 SER N N 39 113.952 113.952 115.380 -1.428 17645
7104 1 18 . 1 1 24 24 SER HA H 39 4.170 4.170 4.242 -0.072 17645
7105 1 18 . 1 1 24 24 SER CA C 39 61.880 61.880 61.233 0.647 17645
7106 1 18 . 1 1 24 24 SER CB C 39 63.740 63.740 63.066 0.674 17645
7107 1 18 . 1 1 24 24 SER H H 39 7.773 7.773 8.409 -0.636 17645
7108 1 18 . 1 1 25 25 ALA N N 40 122.572 122.572 123.244 -0.672 17645
7109 1 18 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.253 0.172 17645
7110 1 18 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.645 -1.765 17645
7111 1 18 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.941 1.509 17645
7112 1 18 . 1 1 25 25 ALA H H 40 7.436 7.436 7.698 -0.262 17645
7113 1 18 . 1 1 26 26 LEU N N 41 120.677 120.677 114.541 6.136 17645
7114 1 18 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.525 -0.144 17645
7115 1 18 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.111 0.749 17645
7116 1 18 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.752 0.438 17645
7117 1 18 . 1 1 26 26 LEU H H 41 7.499 7.499 7.353 0.146 17645
7118 1 18 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.008 0.277 17645
7119 1 18 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.778 0.472 17645
7120 1 18 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.139 1.731 17645
7121 1 18 . 1 1 28 28 ASP N N 43 120.989 120.989 116.668 4.321 17645
7122 1 18 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.434 0.367 17645
7123 1 18 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.048 -0.488 17645
7124 1 18 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.162 2.278 17645
7125 1 18 . 1 1 28 28 ASP H H 43 8.513 8.513 8.315 0.198 17645
7126 1 18 . 1 1 29 29 GLY N N 44 108.379 108.379 109.497 -1.118 17645
7127 1 18 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.218 1.322 17645
7128 1 18 . 1 1 29 29 GLY H H 44 8.425 8.425 8.364 0.061 17645
7129 1 18 . 1 1 30 30 LYS N N 45 119.932 119.932 119.916 0.016 17645
7130 1 18 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.330 -0.251 17645
7131 1 18 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.830 1.690 17645
7132 1 18 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.868 0.202 17645
7133 1 18 . 1 1 30 30 LYS H H 45 8.269 8.269 8.442 -0.173 17645
7134 1 18 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.476 -0.168 17645
7135 1 18 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.975 1.065 17645
7136 1 18 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.264 0.556 17645
7137 1 18 . 1 1 32 32 GLU N N 47 118.526 118.526 116.333 2.193 17645
7138 1 18 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.074 0.059 17645
7139 1 18 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.146 1.024 17645
7140 1 18 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.723 1.187 17645
7141 1 18 . 1 1 32 32 GLU H H 47 8.189 8.189 8.860 -0.671 17645
7142 1 18 . 1 1 33 33 VAL N N 48 120.183 120.183 121.021 -0.838 17645
7143 1 18 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.610 0.302 17645
7144 1 18 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.355 -0.055 17645
7145 1 18 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.780 0.580 17645
7146 1 18 . 1 1 33 33 VAL H H 48 7.744 7.744 7.264 0.480 17645
7147 1 18 . 1 1 34 34 ASN N N 49 119.700 119.700 117.688 2.012 17645
7148 1 18 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.405 0.045 17645
7149 1 18 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.065 0.985 17645
7150 1 18 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.539 1.111 17645
7151 1 18 . 1 1 34 34 ASN H H 49 8.582 8.582 8.859 -0.277 17645
7152 1 18 . 1 1 35 35 ARG N N 50 121.009 121.009 120.803 0.206 17645
7153 1 18 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.134 0.003 17645
7154 1 18 . 1 1 35 35 ARG CA C 50 59.770 59.770 58.962 0.809 17645
7155 1 18 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.153 0.617 17645
7156 1 18 . 1 1 35 35 ARG H H 50 7.848 7.848 7.880 -0.032 17645
7157 1 18 . 1 1 36 36 GLN N N 51 119.394 119.394 118.929 0.465 17645
7158 1 18 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.223 -0.160 17645
7159 1 18 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.446 0.564 17645
7160 1 18 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.085 0.685 17645
7161 1 18 . 1 1 36 36 GLN H H 51 7.685 7.685 7.704 -0.019 17645
7162 1 18 . 1 1 37 37 ILE N N 52 122.006 122.006 119.465 2.541 17645
7163 1 18 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.729 -0.275 17645
7164 1 18 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.674 0.626 17645
7165 1 18 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.647 1.253 17645
7166 1 18 . 1 1 37 37 ILE H H 52 8.293 8.293 8.805 -0.512 17645
7167 1 18 . 1 1 38 38 LYS N N 53 121.163 121.163 120.067 1.096 17645
7168 1 18 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.032 0.139 17645
7169 1 18 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.359 -0.309 17645
7170 1 18 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.696 0.234 17645
7171 1 18 . 1 1 38 38 LYS H H 53 8.169 8.169 8.034 0.135 17645
7172 1 18 . 1 1 39 39 ASN N N 54 117.219 117.219 118.740 -1.521 17645
7173 1 18 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.467 0.016 17645
7174 1 18 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.507 1.103 17645
7175 1 18 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.655 0.785 17645
7176 1 18 . 1 1 39 39 ASN H H 54 8.171 8.171 7.952 0.219 17645
7177 1 18 . 1 1 40 40 LEU N N 55 123.907 123.907 121.326 2.581 17645
7178 1 18 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.143 0.062 17645
7179 1 18 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.071 0.769 17645
7180 1 18 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.768 0.302 17645
7181 1 18 . 1 1 40 40 LEU H H 55 7.702 7.702 7.950 -0.248 17645
7182 1 18 . 1 1 41 41 GLU N N 56 121.779 121.779 120.160 1.619 17645
7183 1 18 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.043 -0.341 17645
7184 1 18 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.557 1.893 17645
7185 1 18 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.452 0.878 17645
7186 1 18 . 1 1 41 41 GLU H H 56 8.442 8.442 7.962 0.480 17645
7187 1 18 . 1 1 42 42 ILE N N 57 119.133 119.133 119.803 -0.670 17645
7188 1 18 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.750 0.133 17645
7189 1 18 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.231 0.319 17645
7190 1 18 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.841 1.109 17645
7191 1 18 . 1 1 42 42 ILE H H 57 8.531 8.531 8.212 0.319 17645
7192 1 18 . 1 1 43 43 SER N N 58 118.622 118.622 116.785 1.837 17645
7193 1 18 . 1 1 43 43 SER HA H 58 4.322 4.322 4.132 0.190 17645
7194 1 18 . 1 1 43 43 SER CA C 58 62.940 62.940 62.591 0.349 17645
7195 1 18 . 1 1 43 43 SER CB C 58 63.500 63.500 63.035 0.465 17645
7196 1 18 . 1 1 43 43 SER H H 58 8.027 8.027 7.577 0.450 17645
7197 1 18 . 1 1 44 44 ILE N N 59 126.416 126.416 122.188 4.228 17645
7198 1 18 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.640 -0.012 17645
7199 1 18 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.782 1.128 17645
7200 1 18 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.874 1.286 17645
7201 1 18 . 1 1 44 44 ILE H H 59 8.543 8.543 8.545 -0.002 17645
7202 1 18 . 1 1 45 45 ASP N N 60 121.563 121.563 119.729 1.834 17645
7203 1 18 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.335 0.072 17645
7204 1 18 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.464 0.816 17645
7205 1 18 . 1 1 45 45 ASP CB C 60 40.760 40.760 39.997 0.763 17645
7206 1 18 . 1 1 45 45 ASP H H 60 8.406 8.406 7.955 0.451 17645
7207 1 18 . 1 1 46 46 ALA N N 61 123.500 123.500 122.594 0.906 17645
7208 1 18 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.054 0.147 17645
7209 1 18 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.075 0.635 17645
7210 1 18 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.488 0.172 17645
7211 1 18 . 1 1 46 46 ALA H H 61 8.538 8.538 8.017 0.521 17645
7212 1 18 . 1 1 47 47 LEU N N 62 121.942 121.942 119.681 2.261 17645
7213 1 18 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.884 0.410 17645
7214 1 18 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.703 -0.043 17645
7215 1 18 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.852 -0.712 17645
7216 1 18 . 1 1 47 47 LEU H H 62 7.801 7.801 7.754 0.047 17645
7217 1 18 . 1 1 48 48 MET N N 63 118.068 118.068 118.664 -0.596 17645
7218 1 18 . 1 1 48 48 MET HA H 63 3.945 3.945 3.866 0.079 17645
7219 1 18 . 1 1 48 48 MET CA C 63 60.330 60.330 59.278 1.052 17645
7220 1 18 . 1 1 48 48 MET CB C 63 33.110 33.110 32.457 0.653 17645
7221 1 18 . 1 1 48 48 MET H H 63 8.261 8.261 7.802 0.459 17645
7222 1 18 . 1 1 49 49 ALA N N 64 120.428 120.428 118.212 2.216 17645
7223 1 18 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.099 0.002 17645
7224 1 18 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.518 1.252 17645
7225 1 18 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.414 0.356 17645
7226 1 18 . 1 1 49 49 ALA H H 64 8.045 8.045 7.893 0.152 17645
7227 1 18 . 1 1 50 50 LYS N N 65 121.947 121.947 116.757 5.190 17645
7228 1 18 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.257 -0.218 17645
7229 1 18 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.506 2.014 17645
7230 1 18 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.902 0.778 17645
7231 1 18 . 1 1 50 50 LYS H H 65 8.063 8.063 7.628 0.435 17645
7232 1 18 . 1 1 51 51 ILE N N 66 121.189 121.189 117.958 3.231 17645
7233 1 18 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.954 -0.204 17645
7234 1 18 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.385 3.355 17645
7235 1 18 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.351 1.769 17645
7236 1 18 . 1 1 51 51 ILE H H 66 8.437 8.437 8.260 0.177 17645
7237 1 18 . 1 1 52 52 LYS N N 67 117.119 117.119 118.862 -1.743 17645
7238 1 18 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.358 -0.222 17645
7239 1 18 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.442 1.768 17645
7240 1 18 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.051 0.629 17645
7241 1 18 . 1 1 52 52 LYS H H 67 7.622 7.622 7.820 -0.198 17645
7242 1 18 . 1 1 53 53 SER N N 68 111.824 111.824 113.993 -2.169 17645
7243 1 18 . 1 1 53 53 SER HA H 68 4.602 4.602 4.701 -0.099 17645
7244 1 18 . 1 1 53 53 SER CA C 68 59.960 59.960 58.376 1.584 17645
7245 1 18 . 1 1 53 53 SER CB C 68 65.750 65.750 63.768 1.982 17645
7246 1 18 . 1 1 53 53 SER H H 68 7.750 7.750 7.806 -0.056 17645
7247 1 18 . 1 1 54 54 THR N N 69 115.916 115.916 113.646 2.270 17645
7248 1 18 . 1 1 54 54 THR HA H 69 4.596 4.596 4.505 0.091 17645
7249 1 18 . 1 1 54 54 THR CA C 69 62.460 62.460 62.024 0.436 17645
7250 1 18 . 1 1 54 54 THR CB C 69 71.650 71.650 69.752 1.898 17645
7251 1 18 . 1 1 54 54 THR H H 69 7.972 7.972 7.229 0.743 17645
7252 1 18 . 1 1 55 55 MET N N 70 121.343 121.343 120.445 0.898 17645
7253 1 18 . 1 1 55 55 MET HA H 70 4.551 4.551 4.715 -0.164 17645
7254 1 18 . 1 1 55 55 MET CA C 70 56.050 56.050 54.513 1.537 17645
7255 1 18 . 1 1 55 55 MET CB C 70 32.500 32.500 33.511 -1.011 17645
7256 1 18 . 1 1 55 55 MET H H 70 8.306 8.306 8.323 -0.017 17645
7257 1 18 . 1 1 56 56 MET N N 71 123.196 123.196 121.645 1.551 17645
7258 1 18 . 1 1 56 56 MET HA H 71 4.706 4.706 4.378 0.328 17645
7259 1 18 . 1 1 56 56 MET CA C 71 55.860 55.860 56.355 -0.494 17645
7260 1 18 . 1 1 56 56 MET CB C 71 37.620 37.620 33.091 4.529 17645
7261 1 18 . 1 1 56 56 MET H H 71 8.114 8.114 7.721 0.393 17645
7262 1 18 . 1 1 57 57 THR N N 72 113.158 113.158 117.621 -4.463 17645
7263 1 18 . 1 1 57 57 THR HA H 72 4.483 4.483 4.438 0.045 17645
7264 1 18 . 1 1 57 57 THR CA C 72 61.080 61.080 62.163 -1.083 17645
7265 1 18 . 1 1 57 57 THR CB C 72 71.670 71.670 69.668 2.002 17645
7266 1 18 . 1 1 57 57 THR H H 72 8.486 8.486 8.218 0.268 17645
7267 1 18 . 1 1 58 58 ARG N N 73 121.911 121.911 124.942 -3.031 17645
7268 1 18 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.936 -0.027 17645
7269 1 18 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.032 0.488 17645
7270 1 18 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.088 0.242 17645
7271 1 18 . 1 1 58 58 ARG H H 73 8.961 8.961 8.782 0.179 17645
7272 1 18 . 1 1 59 59 GLU N N 74 118.955 118.955 119.298 -0.343 17645
7273 1 18 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.029 0.003 17645
7274 1 18 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.639 0.251 17645
7275 1 18 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.991 0.969 17645
7276 1 18 . 1 1 59 59 GLU H H 74 8.833 8.833 8.804 0.029 17645
7277 1 18 . 1 1 60 60 GLN N N 75 121.077 121.077 118.834 2.243 17645
7278 1 18 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.090 -0.100 17645
7279 1 18 . 1 1 60 60 GLN CA C 75 59.400 59.400 59.024 0.376 17645
7280 1 18 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.447 0.943 17645
7281 1 18 . 1 1 60 60 GLN H H 75 7.801 7.801 7.660 0.141 17645
7282 1 18 . 1 1 61 61 ILE N N 76 120.016 120.016 118.723 1.293 17645
7283 1 18 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.834 -0.405 17645
7284 1 18 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.215 3.644 17645
7285 1 18 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.674 2.036 17645
7286 1 18 . 1 1 61 61 ILE H H 76 8.250 8.250 7.428 0.822 17645
7287 1 18 . 1 1 62 62 GLN N N 77 119.153 119.153 120.647 -1.494 17645
7288 1 18 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.976 -0.209 17645
7289 1 18 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.878 -0.108 17645
7290 1 18 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.480 0.600 17645
7291 1 18 . 1 1 62 62 GLN H H 77 8.295 8.295 8.347 -0.052 17645
7292 1 18 . 1 1 63 63 LYS N N 78 118.200 118.200 119.812 -1.612 17645
7293 1 18 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.005 0.149 17645
7294 1 18 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.821 0.329 17645
7295 1 18 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.208 1.102 17645
7296 1 18 . 1 1 63 63 LYS H H 78 7.839 7.839 7.827 0.012 17645
7297 1 18 . 1 1 64 64 GLU N N 79 120.133 120.133 119.989 0.144 17645
7298 1 18 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.006 0.136 17645
7299 1 18 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.529 0.801 17645
7300 1 18 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.674 0.936 17645
7301 1 18 . 1 1 64 64 GLU H H 79 7.899 7.899 7.837 0.062 17645
7302 1 18 . 1 1 65 65 TYR N N 80 122.505 122.505 119.565 2.940 17645
7303 1 18 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645
7304 1 18 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.427 1.333 17645
7305 1 18 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.416 1.054 17645
7306 1 18 . 1 1 65 65 TYR H H 80 9.023 9.023 8.301 0.722 17645
7307 1 18 . 1 1 66 66 ASP N N 81 120.497 120.497 119.512 0.985 17645
7308 1 18 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.338 -0.121 17645
7309 1 18 . 1 1 66 66 ASP CA C 81 58.100 58.100 56.733 1.367 17645
7310 1 18 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.424 0.216 17645
7311 1 18 . 1 1 66 66 ASP H H 81 9.089 9.089 7.822 1.267 17645
7312 1 18 . 1 1 67 67 ALA N N 82 122.397 122.397 122.156 0.241 17645
7313 1 18 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.014 0.173 17645
7314 1 18 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.175 0.655 17645
7315 1 18 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.581 0.339 17645
7316 1 18 . 1 1 67 67 ALA H H 82 7.636 7.636 8.181 -0.545 17645
7317 1 18 . 1 1 68 68 LEU N N 83 121.806 121.806 118.322 3.484 17645
7318 1 18 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.029 0.116 17645
7319 1 18 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.794 0.486 17645
7320 1 18 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.067 0.793 17645
7321 1 18 . 1 1 68 68 LEU H H 83 7.727 7.727 7.610 0.117 17645
7322 1 18 . 1 1 69 69 VAL N N 84 123.560 123.560 120.101 3.459 17645
7323 1 18 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.506 -0.201 17645
7324 1 18 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.660 1.380 17645
7325 1 18 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.151 1.039 17645
7326 1 18 . 1 1 69 69 VAL H H 84 8.560 8.560 7.726 0.834 17645
7327 1 18 . 1 1 70 70 LYS N N 85 121.398 121.398 120.276 1.122 17645
7328 1 18 . 1 1 70 70 LYS HA H 85 4.092 4.092 3.998 0.094 17645
7329 1 18 . 1 1 70 70 LYS CA C 85 60.250 60.250 58.885 1.365 17645
7330 1 18 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.944 0.816 17645
7331 1 18 . 1 1 70 70 LYS H H 85 7.956 7.956 8.552 -0.596 17645
7332 1 18 . 1 1 71 71 SER N N 86 114.825 114.825 115.640 -0.815 17645
7333 1 18 . 1 1 71 71 SER HA H 86 4.298 4.298 4.232 0.066 17645
7334 1 18 . 1 1 71 71 SER CA C 86 62.810 62.810 61.672 1.138 17645
7335 1 18 . 1 1 71 71 SER CB C 86 63.640 63.640 63.034 0.606 17645
7336 1 18 . 1 1 71 71 SER H H 86 8.284 8.284 7.885 0.399 17645
7337 1 18 . 1 1 72 72 SER N N 87 118.845 118.845 117.619 1.226 17645
7338 1 18 . 1 1 72 72 SER HA H 87 4.269 4.269 4.003 0.266 17645
7339 1 18 . 1 1 72 72 SER CA C 87 62.940 62.940 61.968 0.972 17645
7340 1 18 . 1 1 72 72 SER CB C 87 63.870 63.870 62.763 1.107 17645
7341 1 18 . 1 1 72 72 SER H H 87 8.421 8.421 8.241 0.180 17645
7342 1 18 . 1 1 73 73 GLU N N 88 124.809 124.809 121.098 3.711 17645
7343 1 18 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.910 0.142 17645
7344 1 18 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.463 0.767 17645
7345 1 18 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.602 0.628 17645
7346 1 18 . 1 1 73 73 GLU H H 88 8.376 8.376 7.768 0.608 17645
7347 1 18 . 1 1 74 74 ASP N N 89 122.193 122.193 120.098 2.095 17645
7348 1 18 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.383 0.028 17645
7349 1 18 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.972 0.938 17645
7350 1 18 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.848 -0.268 17645
7351 1 18 . 1 1 74 74 ASP H H 89 8.734 8.734 7.759 0.975 17645
7352 1 18 . 1 1 75 75 LEU N N 90 123.280 123.280 121.385 1.895 17645
7353 1 18 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.899 0.391 17645
7354 1 18 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.202 0.359 17645
7355 1 18 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.882 0.148 17645
7356 1 18 . 1 1 75 75 LEU H H 90 7.986 7.986 7.414 0.572 17645
7357 1 18 . 1 1 76 76 LEU N N 91 120.488 120.488 118.511 1.977 17645
7358 1 18 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.803 0.035 17645
7359 1 18 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.007 1.193 17645
7360 1 18 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.947 0.563 17645
7361 1 18 . 1 1 76 76 LEU H H 91 8.280 8.280 7.704 0.576 17645
7362 1 18 . 1 1 77 77 SER N N 92 113.817 113.817 114.524 -0.707 17645
7363 1 18 . 1 1 77 77 SER HA H 92 4.235 4.235 4.020 0.215 17645
7364 1 18 . 1 1 77 77 SER CA C 92 62.200 62.200 62.207 -0.007 17645
7365 1 18 . 1 1 77 77 SER CB C 92 63.440 63.440 62.914 0.526 17645
7366 1 18 . 1 1 77 77 SER H H 92 8.219 8.219 8.325 -0.106 17645
7367 1 18 . 1 1 78 78 ALA N N 93 124.902 124.902 123.868 1.034 17645
7368 1 18 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.132 0.034 17645
7369 1 18 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.852 1.008 17645
7370 1 18 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.267 0.493 17645
7371 1 18 . 1 1 78 78 ALA H H 93 7.949 7.949 7.734 0.215 17645
7372 1 18 . 1 1 79 79 LEU N N 94 120.602 120.602 119.541 1.061 17645
7373 1 18 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.886 0.180 17645
7374 1 18 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.147 0.323 17645
7375 1 18 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.825 0.785 17645
7376 1 18 . 1 1 79 79 LEU H H 94 8.587 8.587 7.733 0.854 17645
7377 1 18 . 1 1 80 80 GLN N N 95 119.525 119.525 118.779 0.746 17645
7378 1 18 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.943 0.105 17645
7379 1 18 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.217 0.373 17645
7380 1 18 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.177 0.663 17645
7381 1 18 . 1 1 80 80 GLN H H 95 8.561 8.561 8.636 -0.075 17645
7382 1 18 . 1 1 81 81 LYS N N 96 121.075 121.075 118.116 2.959 17645
7383 1 18 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.970 0.167 17645
7384 1 18 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.081 0.968 17645
7385 1 18 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.022 0.918 17645
7386 1 18 . 1 1 81 81 LYS H H 96 8.003 8.003 7.862 0.141 17645
7387 1 18 . 1 1 82 82 LYS N N 97 121.415 121.415 120.479 0.936 17645
7388 1 18 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.964 0.161 17645
7389 1 18 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.707 0.263 17645
7390 1 18 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.208 0.912 17645
7391 1 18 . 1 1 82 82 LYS H H 97 7.903 7.903 7.732 0.171 17645
7392 1 18 . 1 1 83 83 LYS N N 98 121.081 121.081 119.164 1.917 17645
7393 1 18 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.073 -0.091 17645
7394 1 18 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.497 0.513 17645
7395 1 18 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.313 0.807 17645
7396 1 18 . 1 1 83 83 LYS H H 98 8.202 8.202 7.924 0.278 17645
7397 1 18 . 1 1 84 84 GLN N N 99 119.576 119.576 117.289 2.287 17645
7398 1 18 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.087 0.037 17645
7399 1 18 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.328 1.482 17645
7400 1 18 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.663 0.297 17645
7401 1 18 . 1 1 84 84 GLN H H 99 8.125 8.125 7.790 0.335 17645
7402 1 18 . 1 1 85 85 GLN N N 100 120.009 120.009 118.494 1.515 17645
7403 1 18 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.167 -0.046 17645
7404 1 18 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.887 2.703 17645
7405 1 18 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.494 -0.474 17645
7406 1 18 . 1 1 85 85 GLN H H 100 8.341 8.341 7.561 0.780 17645
7407 1 18 . 1 1 86 86 GLU N N 101 121.718 121.718 115.026 6.692 17645
7408 1 18 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.972 0.163 17645
7409 1 18 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.614 2.816 17645
7410 1 18 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.549 1.591 17645
7411 1 18 . 1 1 86 86 GLU H H 101 8.275 8.275 7.926 0.349 17645
7412 1 18 . 1 1 87 87 GLU N N 102 121.412 121.412 117.504 3.908 17645
7413 1 18 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.514 -0.398 17645
7414 1 18 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.061 4.899 17645
7415 1 18 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.468 -1.178 17645
7416 1 18 . 1 1 87 87 GLU H H 102 8.330 8.330 8.123 0.207 17645
7417 1 19 . 1 1 2 2 GLY N N 17 110.356 110.356 113.376 -3.020 17645
7418 1 19 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.825 -0.215 17645
7419 1 19 . 1 1 2 2 GLY H H 17 8.065 8.065 8.334 -0.269 17645
7420 1 19 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.492 -0.099 17645
7421 1 19 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.775 1.895 17645
7422 1 19 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.490 0.210 17645
7423 1 19 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.678 1.052 17645
7424 1 19 . 1 1 5 5 SER HA H 20 4.192 4.192 4.260 -0.068 17645
7425 1 19 . 1 1 5 5 SER CA C 20 60.960 60.960 61.312 -0.352 17645
7426 1 19 . 1 1 5 5 SER CB C 20 64.250 64.250 63.092 1.158 17645
7427 1 19 . 1 1 6 6 LEU N N 21 122.731 122.731 122.443 0.288 17645
7428 1 19 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.083 0.037 17645
7429 1 19 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.342 0.378 17645
7430 1 19 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.706 1.264 17645
7431 1 19 . 1 1 6 6 LEU H H 21 8.052 8.052 8.069 -0.017 17645
7432 1 19 . 1 1 7 7 VAL N N 22 119.948 119.948 119.122 0.826 17645
7433 1 19 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.452 0.301 17645
7434 1 19 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.778 -1.429 17645
7435 1 19 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.273 1.327 17645
7436 1 19 . 1 1 7 7 VAL H H 22 7.676 7.676 7.737 -0.061 17645
7437 1 19 . 1 1 8 8 LYS N N 23 122.400 122.400 119.657 2.743 17645
7438 1 19 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.999 0.188 17645
7439 1 19 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.218 -0.388 17645
7440 1 19 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.934 0.626 17645
7441 1 19 . 1 1 8 8 LYS H H 23 7.830 7.830 7.587 0.243 17645
7442 1 19 . 1 1 9 9 VAL N N 24 121.205 121.205 119.004 2.201 17645
7443 1 19 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.905 -0.079 17645
7444 1 19 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.817 0.043 17645
7445 1 19 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.439 1.011 17645
7446 1 19 . 1 1 9 9 VAL H H 24 8.194 8.194 7.757 0.437 17645
7447 1 19 . 1 1 10 10 GLY N N 25 107.900 107.900 106.358 1.542 17645
7448 1 19 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.715 -0.055 17645
7449 1 19 . 1 1 10 10 GLY H H 25 8.446 8.446 8.288 0.158 17645
7450 1 19 . 1 1 11 11 THR N N 26 116.800 116.800 118.995 -2.195 17645
7451 1 19 . 1 1 11 11 THR HA H 26 4.109 4.109 3.903 0.206 17645
7452 1 19 . 1 1 11 11 THR CA C 26 66.300 66.300 66.089 0.211 17645
7453 1 19 . 1 1 11 11 THR CB C 26 69.690 69.690 68.142 1.548 17645
7454 1 19 . 1 1 11 11 THR H H 26 7.992 7.992 8.133 -0.141 17645
7455 1 19 . 1 1 12 12 LEU N N 27 123.983 123.983 122.398 1.585 17645
7456 1 19 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.977 0.150 17645
7457 1 19 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.825 0.645 17645
7458 1 19 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.762 1.048 17645
7459 1 19 . 1 1 12 12 LEU H H 27 7.934 7.934 7.838 0.096 17645
7460 1 19 . 1 1 13 13 LYS N N 28 117.513 117.513 119.485 -1.972 17645
7461 1 19 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.925 -0.022 17645
7462 1 19 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.948 0.202 17645
7463 1 19 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.184 0.546 17645
7464 1 19 . 1 1 13 13 LYS H H 28 7.824 7.824 7.750 0.074 17645
7465 1 19 . 1 1 14 14 LYS N N 29 119.275 119.275 119.139 0.136 17645
7466 1 19 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.005 0.146 17645
7467 1 19 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.144 0.316 17645
7468 1 19 . 1 1 14 14 LYS CB C 29 32.750 32.750 31.976 0.774 17645
7469 1 19 . 1 1 14 14 LYS H H 29 7.685 7.685 7.668 0.017 17645
7470 1 19 . 1 1 15 15 ARG N N 30 119.090 119.090 119.925 -0.835 17645
7471 1 19 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.761 0.299 17645
7472 1 19 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.643 0.387 17645
7473 1 19 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.616 0.894 17645
7474 1 19 . 1 1 15 15 ARG H H 30 7.709 7.709 7.579 0.130 17645
7475 1 19 . 1 1 16 16 LEU N N 31 118.473 118.473 121.048 -2.575 17645
7476 1 19 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.133 -0.156 17645
7477 1 19 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.048 0.032 17645
7478 1 19 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.685 -0.366 17645
7479 1 19 . 1 1 16 16 LEU H H 31 7.595 7.595 8.112 -0.517 17645
7480 1 19 . 1 1 17 17 ASP N N 32 120.020 120.020 119.136 0.884 17645
7481 1 19 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.294 0.145 17645
7482 1 19 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.675 0.305 17645
7483 1 19 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.344 0.536 17645
7484 1 19 . 1 1 17 17 ASP H H 32 7.858 7.858 7.818 0.040 17645
7485 1 19 . 1 1 18 18 LYS N N 33 119.708 119.708 120.822 -1.114 17645
7486 1 19 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.254 -0.056 17645
7487 1 19 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.275 0.195 17645
7488 1 19 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.668 0.522 17645
7489 1 19 . 1 1 18 18 LYS H H 33 7.564 7.564 7.698 -0.134 17645
7490 1 19 . 1 1 19 19 PHE N N 34 118.256 118.256 118.015 0.241 17645
7491 1 19 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.201 0.050 17645
7492 1 19 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.487 0.223 17645
7493 1 19 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.867 0.883 17645
7494 1 19 . 1 1 19 19 PHE H H 34 7.884 7.884 7.541 0.343 17645
7495 1 19 . 1 1 20 20 ASN N N 35 117.779 117.779 117.996 -0.217 17645
7496 1 19 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.399 0.061 17645
7497 1 19 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.698 0.652 17645
7498 1 19 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.094 0.906 17645
7499 1 19 . 1 1 20 20 ASN H H 35 8.054 8.054 8.088 -0.034 17645
7500 1 19 . 1 1 21 21 GLU N N 36 120.312 120.312 120.611 -0.299 17645
7501 1 19 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.027 0.079 17645
7502 1 19 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.702 0.068 17645
7503 1 19 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.752 0.758 17645
7504 1 19 . 1 1 21 21 GLU H H 36 7.983 7.983 7.721 0.262 17645
7505 1 19 . 1 1 22 22 VAL N N 37 119.756 119.756 119.645 0.111 17645
7506 1 19 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.713 0.129 17645
7507 1 19 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.885 -0.775 17645
7508 1 19 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.626 1.054 17645
7509 1 19 . 1 1 22 22 VAL H H 37 7.670 7.670 7.780 -0.110 17645
7510 1 19 . 1 1 23 23 VAL N N 38 118.300 118.300 119.021 -0.721 17645
7511 1 19 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.719 -0.042 17645
7512 1 19 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.725 1.825 17645
7513 1 19 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.575 1.905 17645
7514 1 19 . 1 1 23 23 VAL H H 38 8.159 8.159 8.456 -0.297 17645
7515 1 19 . 1 1 24 24 SER N N 39 113.952 113.952 115.823 -1.871 17645
7516 1 19 . 1 1 24 24 SER HA H 39 4.170 4.170 4.264 -0.094 17645
7517 1 19 . 1 1 24 24 SER CA C 39 61.880 61.880 61.095 0.785 17645
7518 1 19 . 1 1 24 24 SER CB C 39 63.740 63.740 63.008 0.733 17645
7519 1 19 . 1 1 24 24 SER H H 39 7.773 7.773 8.158 -0.385 17645
7520 1 19 . 1 1 25 25 ALA N N 40 122.572 122.572 123.170 -0.598 17645
7521 1 19 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.176 0.249 17645
7522 1 19 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.623 -1.743 17645
7523 1 19 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.062 1.388 17645
7524 1 19 . 1 1 25 25 ALA H H 40 7.436 7.436 7.675 -0.239 17645
7525 1 19 . 1 1 26 26 LEU N N 41 120.677 120.677 113.564 7.113 17645
7526 1 19 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.461 -0.080 17645
7527 1 19 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.153 0.707 17645
7528 1 19 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.404 0.786 17645
7529 1 19 . 1 1 26 26 LEU H H 41 7.499 7.499 7.406 0.093 17645
7530 1 19 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.966 0.319 17645
7531 1 19 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.608 0.642 17645
7532 1 19 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.785 2.085 17645
7533 1 19 . 1 1 28 28 ASP N N 43 120.989 120.989 115.567 5.422 17645
7534 1 19 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.419 0.382 17645
7535 1 19 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.347 -0.787 17645
7536 1 19 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.196 2.244 17645
7537 1 19 . 1 1 28 28 ASP H H 43 8.513 8.513 8.373 0.140 17645
7538 1 19 . 1 1 29 29 GLY N N 44 108.379 108.379 108.404 -0.025 17645
7539 1 19 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.714 0.826 17645
7540 1 19 . 1 1 29 29 GLY H H 44 8.425 8.425 8.480 -0.055 17645
7541 1 19 . 1 1 30 30 LYS N N 45 119.932 119.932 120.364 -0.432 17645
7542 1 19 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.107 -0.028 17645
7543 1 19 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.652 0.868 17645
7544 1 19 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.185 0.885 17645
7545 1 19 . 1 1 30 30 LYS H H 45 8.269 8.269 8.527 -0.258 17645
7546 1 19 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.297 0.011 17645
7547 1 19 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.882 1.159 17645
7548 1 19 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.411 0.409 17645
7549 1 19 . 1 1 32 32 GLU N N 47 118.526 118.526 118.735 -0.209 17645
7550 1 19 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.143 -0.010 17645
7551 1 19 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.439 0.731 17645
7552 1 19 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.508 0.402 17645
7553 1 19 . 1 1 32 32 GLU H H 47 8.189 8.189 8.361 -0.172 17645
7554 1 19 . 1 1 33 33 VAL N N 48 120.183 120.183 120.350 -0.167 17645
7555 1 19 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.938 -0.026 17645
7556 1 19 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.404 -0.104 17645
7557 1 19 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.870 0.490 17645
7558 1 19 . 1 1 33 33 VAL H H 48 7.744 7.744 8.206 -0.462 17645
7559 1 19 . 1 1 34 34 ASN N N 49 119.700 119.700 117.391 2.309 17645
7560 1 19 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.419 0.031 17645
7561 1 19 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.262 0.788 17645
7562 1 19 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.840 0.810 17645
7563 1 19 . 1 1 34 34 ASN H H 49 8.582 8.582 8.758 -0.176 17645
7564 1 19 . 1 1 35 35 ARG N N 50 121.009 121.009 120.545 0.464 17645
7565 1 19 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.025 0.112 17645
7566 1 19 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.468 0.302 17645
7567 1 19 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.381 0.389 17645
7568 1 19 . 1 1 35 35 ARG H H 50 7.848 7.848 7.931 -0.083 17645
7569 1 19 . 1 1 36 36 GLN N N 51 119.394 119.394 118.613 0.781 17645
7570 1 19 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.135 -0.072 17645
7571 1 19 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.748 1.262 17645
7572 1 19 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.599 1.171 17645
7573 1 19 . 1 1 36 36 GLN H H 51 7.685 7.685 7.798 -0.113 17645
7574 1 19 . 1 1 37 37 ILE N N 52 122.006 122.006 121.083 0.923 17645
7575 1 19 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.724 -0.270 17645
7576 1 19 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.215 1.085 17645
7577 1 19 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.394 1.506 17645
7578 1 19 . 1 1 37 37 ILE H H 52 8.293 8.293 8.995 -0.702 17645
7579 1 19 . 1 1 38 38 LYS N N 53 121.163 121.163 120.567 0.596 17645
7580 1 19 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.027 0.144 17645
7581 1 19 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.382 -0.332 17645
7582 1 19 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.986 -0.056 17645
7583 1 19 . 1 1 38 38 LYS H H 53 8.169 8.169 7.808 0.361 17645
7584 1 19 . 1 1 39 39 ASN N N 54 117.219 117.219 118.630 -1.411 17645
7585 1 19 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.415 0.068 17645
7586 1 19 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.080 0.530 17645
7587 1 19 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.861 0.579 17645
7588 1 19 . 1 1 39 39 ASN H H 54 8.171 8.171 7.877 0.294 17645
7589 1 19 . 1 1 40 40 LEU N N 55 123.907 123.907 120.769 3.138 17645
7590 1 19 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.139 0.066 17645
7591 1 19 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.349 0.491 17645
7592 1 19 . 1 1 40 40 LEU CB C 55 42.070 42.070 40.981 1.089 17645
7593 1 19 . 1 1 40 40 LEU H H 55 7.702 7.702 8.056 -0.354 17645
7594 1 19 . 1 1 41 41 GLU N N 56 121.779 121.779 119.817 1.962 17645
7595 1 19 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.053 -0.351 17645
7596 1 19 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.707 1.743 17645
7597 1 19 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.501 0.829 17645
7598 1 19 . 1 1 41 41 GLU H H 56 8.442 8.442 7.938 0.504 17645
7599 1 19 . 1 1 42 42 ILE N N 57 119.133 119.133 119.955 -0.822 17645
7600 1 19 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.730 0.153 17645
7601 1 19 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.188 0.362 17645
7602 1 19 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.782 1.168 17645
7603 1 19 . 1 1 42 42 ILE H H 57 8.531 8.531 8.597 -0.066 17645
7604 1 19 . 1 1 43 43 SER N N 58 118.622 118.622 115.826 2.796 17645
7605 1 19 . 1 1 43 43 SER HA H 58 4.322 4.322 4.113 0.209 17645
7606 1 19 . 1 1 43 43 SER CA C 58 62.940 62.940 61.976 0.964 17645
7607 1 19 . 1 1 43 43 SER CB C 58 63.500 63.500 62.900 0.600 17645
7608 1 19 . 1 1 43 43 SER H H 58 8.027 8.027 7.939 0.088 17645
7609 1 19 . 1 1 44 44 ILE N N 59 126.416 126.416 121.713 4.703 17645
7610 1 19 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.610 0.018 17645
7611 1 19 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.882 1.028 17645
7612 1 19 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.843 1.317 17645
7613 1 19 . 1 1 44 44 ILE H H 59 8.543 8.543 8.345 0.198 17645
7614 1 19 . 1 1 45 45 ASP N N 60 121.563 121.563 119.984 1.579 17645
7615 1 19 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.330 0.077 17645
7616 1 19 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.178 0.102 17645
7617 1 19 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.385 0.375 17645
7618 1 19 . 1 1 45 45 ASP H H 60 8.406 8.406 7.999 0.407 17645
7619 1 19 . 1 1 46 46 ALA N N 61 123.500 123.500 122.652 0.848 17645
7620 1 19 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645
7621 1 19 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.116 0.594 17645
7622 1 19 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.467 0.193 17645
7623 1 19 . 1 1 46 46 ALA H H 61 8.538 8.538 8.019 0.519 17645
7624 1 19 . 1 1 47 47 LEU N N 62 121.942 121.942 119.975 1.967 17645
7625 1 19 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.901 0.393 17645
7626 1 19 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.514 0.145 17645
7627 1 19 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.845 -0.705 17645
7628 1 19 . 1 1 47 47 LEU H H 62 7.801 7.801 7.738 0.063 17645
7629 1 19 . 1 1 48 48 MET N N 63 118.068 118.068 118.607 -0.539 17645
7630 1 19 . 1 1 48 48 MET HA H 63 3.945 3.945 3.869 0.076 17645
7631 1 19 . 1 1 48 48 MET CA C 63 60.330 60.330 59.270 1.060 17645
7632 1 19 . 1 1 48 48 MET CB C 63 33.110 33.110 32.446 0.665 17645
7633 1 19 . 1 1 48 48 MET H H 63 8.261 8.261 7.806 0.455 17645
7634 1 19 . 1 1 49 49 ALA N N 64 120.428 120.428 118.242 2.186 17645
7635 1 19 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.055 0.046 17645
7636 1 19 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.782 0.988 17645
7637 1 19 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.294 0.476 17645
7638 1 19 . 1 1 49 49 ALA H H 64 8.045 8.045 8.006 0.039 17645
7639 1 19 . 1 1 50 50 LYS N N 65 121.947 121.947 118.569 3.378 17645
7640 1 19 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.271 -0.232 17645
7641 1 19 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.835 1.685 17645
7642 1 19 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.687 0.993 17645
7643 1 19 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645
7644 1 19 . 1 1 51 51 ILE N N 66 121.189 121.189 120.116 1.073 17645
7645 1 19 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.948 -0.198 17645
7646 1 19 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.727 3.013 17645
7647 1 19 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.125 1.995 17645
7648 1 19 . 1 1 51 51 ILE H H 66 8.437 8.437 8.404 0.033 17645
7649 1 19 . 1 1 52 52 LYS N N 67 117.119 117.119 119.280 -2.161 17645
7650 1 19 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.325 -0.189 17645
7651 1 19 . 1 1 52 52 LYS CA C 67 59.210 59.210 58.179 1.031 17645
7652 1 19 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.434 0.246 17645
7653 1 19 . 1 1 52 52 LYS H H 67 7.622 7.622 7.974 -0.352 17645
7654 1 19 . 1 1 53 53 SER N N 68 111.824 111.824 114.427 -2.603 17645
7655 1 19 . 1 1 53 53 SER HA H 68 4.602 4.602 4.621 -0.019 17645
7656 1 19 . 1 1 53 53 SER CA C 68 59.960 59.960 58.621 1.339 17645
7657 1 19 . 1 1 53 53 SER CB C 68 65.750 65.750 63.159 2.591 17645
7658 1 19 . 1 1 53 53 SER H H 68 7.750 7.750 7.823 -0.073 17645
7659 1 19 . 1 1 54 54 THR N N 69 115.916 115.916 110.884 5.032 17645
7660 1 19 . 1 1 54 54 THR HA H 69 4.596 4.596 4.279 0.317 17645
7661 1 19 . 1 1 54 54 THR CA C 69 62.460 62.460 61.309 1.151 17645
7662 1 19 . 1 1 54 54 THR CB C 69 71.650 71.650 70.222 1.428 17645
7663 1 19 . 1 1 54 54 THR H H 69 7.972 7.972 7.093 0.879 17645
7664 1 19 . 1 1 55 55 MET N N 70 121.343 121.343 121.975 -0.632 17645
7665 1 19 . 1 1 55 55 MET HA H 70 4.551 4.551 4.466 0.085 17645
7666 1 19 . 1 1 55 55 MET CA C 70 56.050 56.050 54.935 1.115 17645
7667 1 19 . 1 1 55 55 MET CB C 70 32.500 32.500 30.718 1.782 17645
7668 1 19 . 1 1 55 55 MET H H 70 8.306 8.306 8.679 -0.373 17645
7669 1 19 . 1 1 56 56 MET N N 71 123.196 123.196 125.049 -1.853 17645
7670 1 19 . 1 1 56 56 MET HA H 71 4.706 4.706 4.474 0.232 17645
7671 1 19 . 1 1 56 56 MET CA C 71 55.860 55.860 55.313 0.547 17645
7672 1 19 . 1 1 56 56 MET CB C 71 37.620 37.620 33.200 4.420 17645
7673 1 19 . 1 1 56 56 MET H H 71 8.114 8.114 7.911 0.203 17645
7674 1 19 . 1 1 57 57 THR N N 72 113.158 113.158 119.381 -6.223 17645
7675 1 19 . 1 1 57 57 THR HA H 72 4.483 4.483 4.432 0.051 17645
7676 1 19 . 1 1 57 57 THR CA C 72 61.080 61.080 61.908 -0.828 17645
7677 1 19 . 1 1 57 57 THR CB C 72 71.670 71.670 69.882 1.788 17645
7678 1 19 . 1 1 57 57 THR H H 72 8.486 8.486 8.391 0.095 17645
7679 1 19 . 1 1 58 58 ARG N N 73 121.911 121.911 124.706 -2.795 17645
7680 1 19 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.933 -0.024 17645
7681 1 19 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.810 0.710 17645
7682 1 19 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.043 0.287 17645
7683 1 19 . 1 1 58 58 ARG H H 73 8.961 8.961 8.863 0.098 17645
7684 1 19 . 1 1 59 59 GLU N N 74 118.955 118.955 118.874 0.081 17645
7685 1 19 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.993 0.039 17645
7686 1 19 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.093 0.797 17645
7687 1 19 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.025 0.935 17645
7688 1 19 . 1 1 59 59 GLU H H 74 8.833 8.833 8.740 0.093 17645
7689 1 19 . 1 1 60 60 GLN N N 75 121.077 121.077 118.722 2.355 17645
7690 1 19 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.054 -0.064 17645
7691 1 19 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.847 0.553 17645
7692 1 19 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.359 1.031 17645
7693 1 19 . 1 1 60 60 GLN H H 75 7.801 7.801 7.692 0.109 17645
7694 1 19 . 1 1 61 61 ILE N N 76 120.016 120.016 119.188 0.828 17645
7695 1 19 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.605 -0.176 17645
7696 1 19 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.743 4.117 17645
7697 1 19 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.503 2.207 17645
7698 1 19 . 1 1 61 61 ILE H H 76 8.250 8.250 7.535 0.715 17645
7699 1 19 . 1 1 62 62 GLN N N 77 119.153 119.153 120.268 -1.115 17645
7700 1 19 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.227 -0.460 17645
7701 1 19 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.094 0.676 17645
7702 1 19 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.267 0.813 17645
7703 1 19 . 1 1 62 62 GLN H H 77 8.295 8.295 8.270 0.025 17645
7704 1 19 . 1 1 63 63 LYS N N 78 118.200 118.200 119.369 -1.169 17645
7705 1 19 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.038 0.116 17645
7706 1 19 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.968 1.182 17645
7707 1 19 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.228 1.082 17645
7708 1 19 . 1 1 63 63 LYS H H 78 7.839 7.839 7.733 0.106 17645
7709 1 19 . 1 1 64 64 GLU N N 79 120.133 120.133 119.790 0.343 17645
7710 1 19 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.954 0.188 17645
7711 1 19 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.736 0.595 17645
7712 1 19 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.400 1.210 17645
7713 1 19 . 1 1 64 64 GLU H H 79 7.899 7.899 7.812 0.087 17645
7714 1 19 . 1 1 65 65 TYR N N 80 122.505 122.505 117.858 4.647 17645
7715 1 19 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.272 -0.330 17645
7716 1 19 . 1 1 65 65 TYR CA C 80 62.760 62.760 60.035 2.725 17645
7717 1 19 . 1 1 65 65 TYR CB C 80 39.470 39.470 37.695 1.775 17645
7718 1 19 . 1 1 65 65 TYR H H 80 9.023 9.023 8.015 1.008 17645
7719 1 19 . 1 1 66 66 ASP N N 81 120.497 120.497 119.197 1.300 17645
7720 1 19 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.331 -0.114 17645
7721 1 19 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.709 0.391 17645
7722 1 19 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.642 -0.001 17645
7723 1 19 . 1 1 66 66 ASP H H 81 9.089 9.089 7.760 1.329 17645
7724 1 19 . 1 1 67 67 ALA N N 82 122.397 122.397 122.093 0.304 17645
7725 1 19 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.041 0.146 17645
7726 1 19 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.172 0.658 17645
7727 1 19 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.634 0.286 17645
7728 1 19 . 1 1 67 67 ALA H H 82 7.636 7.636 8.089 -0.453 17645
7729 1 19 . 1 1 68 68 LEU N N 83 121.806 121.806 118.561 3.245 17645
7730 1 19 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.151 -0.006 17645
7731 1 19 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.930 0.350 17645
7732 1 19 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.031 0.829 17645
7733 1 19 . 1 1 68 68 LEU H H 83 7.727 7.727 7.801 -0.074 17645
7734 1 19 . 1 1 69 69 VAL N N 84 123.560 123.560 120.892 2.668 17645
7735 1 19 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.896 -0.591 17645
7736 1 19 . 1 1 69 69 VAL CA C 84 68.040 68.040 64.846 3.194 17645
7737 1 19 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.588 1.602 17645
7738 1 19 . 1 1 69 69 VAL H H 84 8.560 8.560 8.092 0.468 17645
7739 1 19 . 1 1 70 70 LYS N N 85 121.398 121.398 120.827 0.571 17645
7740 1 19 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.099 -0.007 17645
7741 1 19 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.144 1.106 17645
7742 1 19 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.749 1.011 17645
7743 1 19 . 1 1 70 70 LYS H H 85 7.956 7.956 8.455 -0.499 17645
7744 1 19 . 1 1 71 71 SER N N 86 114.825 114.825 116.021 -1.196 17645
7745 1 19 . 1 1 71 71 SER HA H 86 4.298 4.298 4.215 0.083 17645
7746 1 19 . 1 1 71 71 SER CA C 86 62.810 62.810 61.414 1.396 17645
7747 1 19 . 1 1 71 71 SER CB C 86 63.640 63.640 63.101 0.539 17645
7748 1 19 . 1 1 71 71 SER H H 86 8.284 8.284 7.969 0.315 17645
7749 1 19 . 1 1 72 72 SER N N 87 118.845 118.845 117.361 1.484 17645
7750 1 19 . 1 1 72 72 SER HA H 87 4.269 4.269 4.036 0.233 17645
7751 1 19 . 1 1 72 72 SER CA C 87 62.940 62.940 61.481 1.459 17645
7752 1 19 . 1 1 72 72 SER CB C 87 63.870 63.870 63.122 0.748 17645
7753 1 19 . 1 1 72 72 SER H H 87 8.421 8.421 8.368 0.053 17645
7754 1 19 . 1 1 73 73 GLU N N 88 124.809 124.809 121.822 2.987 17645
7755 1 19 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.910 0.142 17645
7756 1 19 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.423 0.807 17645
7757 1 19 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.438 0.792 17645
7758 1 19 . 1 1 73 73 GLU H H 88 8.376 8.376 7.885 0.491 17645
7759 1 19 . 1 1 74 74 ASP N N 89 122.193 122.193 119.751 2.442 17645
7760 1 19 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.432 -0.021 17645
7761 1 19 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.576 1.334 17645
7762 1 19 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.882 -0.302 17645
7763 1 19 . 1 1 74 74 ASP H H 89 8.734 8.734 7.778 0.956 17645
7764 1 19 . 1 1 75 75 LEU N N 90 123.280 123.280 121.272 2.008 17645
7765 1 19 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.959 0.331 17645
7766 1 19 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.043 0.517 17645
7767 1 19 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.837 0.193 17645
7768 1 19 . 1 1 75 75 LEU H H 90 7.986 7.986 7.413 0.573 17645
7769 1 19 . 1 1 76 76 LEU N N 91 120.488 120.488 118.137 2.351 17645
7770 1 19 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.709 0.129 17645
7771 1 19 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.226 0.974 17645
7772 1 19 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.029 0.481 17645
7773 1 19 . 1 1 76 76 LEU H H 91 8.280 8.280 7.686 0.594 17645
7774 1 19 . 1 1 77 77 SER N N 92 113.817 113.817 115.653 -1.836 17645
7775 1 19 . 1 1 77 77 SER HA H 92 4.235 4.235 4.240 -0.005 17645
7776 1 19 . 1 1 77 77 SER CA C 92 62.200 62.200 61.498 0.702 17645
7777 1 19 . 1 1 77 77 SER CB C 92 63.440 63.440 63.066 0.373 17645
7778 1 19 . 1 1 77 77 SER H H 92 8.219 8.219 7.904 0.315 17645
7779 1 19 . 1 1 78 78 ALA N N 93 124.902 124.902 123.786 1.116 17645
7780 1 19 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.055 0.111 17645
7781 1 19 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.693 1.167 17645
7782 1 19 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.528 0.232 17645
7783 1 19 . 1 1 78 78 ALA H H 93 7.949 7.949 8.214 -0.265 17645
7784 1 19 . 1 1 79 79 LEU N N 94 120.602 120.602 120.900 -0.298 17645
7785 1 19 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.941 0.126 17645
7786 1 19 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.215 0.255 17645
7787 1 19 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.842 0.768 17645
7788 1 19 . 1 1 79 79 LEU H H 94 8.587 8.587 8.006 0.581 17645
7789 1 19 . 1 1 80 80 GLN N N 95 119.525 119.525 118.330 1.195 17645
7790 1 19 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.881 0.167 17645
7791 1 19 . 1 1 80 80 GLN CA C 95 59.590 59.590 60.097 -0.507 17645
7792 1 19 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.404 0.436 17645
7793 1 19 . 1 1 80 80 GLN H H 95 8.561 8.561 8.519 0.042 17645
7794 1 19 . 1 1 81 81 LYS N N 96 121.075 121.075 118.234 2.841 17645
7795 1 19 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.000 0.137 17645
7796 1 19 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.049 1.001 17645
7797 1 19 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.021 0.919 17645
7798 1 19 . 1 1 81 81 LYS H H 96 8.003 8.003 7.895 0.108 17645
7799 1 19 . 1 1 82 82 LYS N N 97 121.415 121.415 120.876 0.539 17645
7800 1 19 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.036 0.089 17645
7801 1 19 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.562 0.408 17645
7802 1 19 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.552 0.568 17645
7803 1 19 . 1 1 82 82 LYS H H 97 7.903 7.903 7.734 0.169 17645
7804 1 19 . 1 1 83 83 LYS N N 98 121.081 121.081 117.054 4.027 17645
7805 1 19 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.216 -0.234 17645
7806 1 19 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.698 1.312 17645
7807 1 19 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.990 1.130 17645
7808 1 19 . 1 1 83 83 LYS H H 98 8.202 8.202 8.205 -0.003 17645
7809 1 19 . 1 1 84 84 GLN N N 99 119.576 119.576 117.890 1.686 17645
7810 1 19 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.135 -0.011 17645
7811 1 19 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.718 2.092 17645
7812 1 19 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.014 -0.054 17645
7813 1 19 . 1 1 84 84 GLN H H 99 8.125 8.125 7.988 0.137 17645
7814 1 19 . 1 1 85 85 GLN N N 100 120.009 120.009 117.557 2.452 17645
7815 1 19 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.200 -0.079 17645
7816 1 19 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.158 2.432 17645
7817 1 19 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.578 -0.558 17645
7818 1 19 . 1 1 85 85 GLN H H 100 8.341 8.341 7.669 0.672 17645
7819 1 19 . 1 1 86 86 GLU N N 101 121.718 121.718 119.830 1.888 17645
7820 1 19 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.064 0.071 17645
7821 1 19 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.641 2.789 17645
7822 1 19 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.041 1.099 17645
7823 1 19 . 1 1 86 86 GLU H H 101 8.275 8.275 7.736 0.539 17645
7824 1 19 . 1 1 87 87 GLU N N 102 121.412 121.412 122.284 -0.872 17645
7825 1 19 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.374 -0.258 17645
7826 1 19 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.418 3.542 17645
7827 1 19 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.239 0.051 17645
7828 1 19 . 1 1 87 87 GLU H H 102 8.330 8.330 8.407 -0.077 17645
7829 1 20 . 1 1 2 2 GLY N N 17 110.356 110.356 109.558 0.798 17645
7830 1 20 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.258 1.352 17645
7831 1 20 . 1 1 2 2 GLY H H 17 8.065 8.065 8.126 -0.061 17645
7832 1 20 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.199 0.194 17645
7833 1 20 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.819 0.851 17645
7834 1 20 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.101 0.599 17645
7835 1 20 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.130 0.600 17645
7836 1 20 . 1 1 5 5 SER HA H 20 4.192 4.192 4.689 -0.497 17645
7837 1 20 . 1 1 5 5 SER CA C 20 60.960 60.960 59.332 1.628 17645
7838 1 20 . 1 1 5 5 SER CB C 20 64.250 64.250 64.489 -0.239 17645
7839 1 20 . 1 1 6 6 LEU N N 21 122.731 122.731 122.629 0.102 17645
7840 1 20 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.004 0.116 17645
7841 1 20 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.911 -0.191 17645
7842 1 20 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.263 1.708 17645
7843 1 20 . 1 1 6 6 LEU H H 21 8.052 8.052 7.489 0.563 17645
7844 1 20 . 1 1 7 7 VAL N N 22 119.948 119.948 118.990 0.958 17645
7845 1 20 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.650 0.103 17645
7846 1 20 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.189 -0.839 17645
7847 1 20 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.135 1.465 17645
7848 1 20 . 1 1 7 7 VAL H H 22 7.676 7.676 8.086 -0.410 17645
7849 1 20 . 1 1 8 8 LYS N N 23 122.400 122.400 118.789 3.611 17645
7850 1 20 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.069 0.118 17645
7851 1 20 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.605 -0.775 17645
7852 1 20 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.326 0.234 17645
7853 1 20 . 1 1 8 8 LYS H H 23 7.830 7.830 7.577 0.253 17645
7854 1 20 . 1 1 9 9 VAL N N 24 121.205 121.205 119.297 1.908 17645
7855 1 20 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.761 0.065 17645
7856 1 20 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.622 0.238 17645
7857 1 20 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.394 1.056 17645
7858 1 20 . 1 1 9 9 VAL H H 24 8.194 8.194 7.470 0.724 17645
7859 1 20 . 1 1 10 10 GLY N N 25 107.900 107.900 106.364 1.536 17645
7860 1 20 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.587 0.072 17645
7861 1 20 . 1 1 10 10 GLY H H 25 8.446 8.446 8.757 -0.311 17645
7862 1 20 . 1 1 11 11 THR N N 26 116.800 116.800 119.565 -2.765 17645
7863 1 20 . 1 1 11 11 THR HA H 26 4.109 4.109 3.881 0.228 17645
7864 1 20 . 1 1 11 11 THR CA C 26 66.300 66.300 66.603 -0.303 17645
7865 1 20 . 1 1 11 11 THR CB C 26 69.690 69.690 68.665 1.025 17645
7866 1 20 . 1 1 11 11 THR H H 26 7.992 7.992 7.696 0.296 17645
7867 1 20 . 1 1 12 12 LEU N N 27 123.983 123.983 122.812 1.171 17645
7868 1 20 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.057 0.070 17645
7869 1 20 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.916 0.554 17645
7870 1 20 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.739 1.071 17645
7871 1 20 . 1 1 12 12 LEU H H 27 7.934 7.934 8.030 -0.096 17645
7872 1 20 . 1 1 13 13 LYS N N 28 117.513 117.513 119.139 -1.626 17645
7873 1 20 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.785 0.118 17645
7874 1 20 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.321 -0.171 17645
7875 1 20 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.169 0.562 17645
7876 1 20 . 1 1 13 13 LYS H H 28 7.824 7.824 7.880 -0.056 17645
7877 1 20 . 1 1 14 14 LYS N N 29 119.275 119.275 119.003 0.272 17645
7878 1 20 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.966 0.185 17645
7879 1 20 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.469 -0.009 17645
7880 1 20 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.153 0.597 17645
7881 1 20 . 1 1 14 14 LYS H H 29 7.685 7.685 7.661 0.024 17645
7882 1 20 . 1 1 15 15 ARG N N 30 119.090 119.090 120.617 -1.527 17645
7883 1 20 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.703 0.357 17645
7884 1 20 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.215 -0.185 17645
7885 1 20 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.809 0.701 17645
7886 1 20 . 1 1 15 15 ARG H H 30 7.709 7.709 7.533 0.176 17645
7887 1 20 . 1 1 16 16 LEU N N 31 118.473 118.473 120.051 -1.578 17645
7888 1 20 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.034 -0.057 17645
7889 1 20 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.929 0.151 17645
7890 1 20 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.004 0.316 17645
7891 1 20 . 1 1 16 16 LEU H H 31 7.595 7.595 7.952 -0.357 17645
7892 1 20 . 1 1 17 17 ASP N N 32 120.020 120.020 118.778 1.242 17645
7893 1 20 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.284 0.155 17645
7894 1 20 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.060 -0.080 17645
7895 1 20 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.551 0.329 17645
7896 1 20 . 1 1 17 17 ASP H H 32 7.858 7.858 7.813 0.045 17645
7897 1 20 . 1 1 18 18 LYS N N 33 119.708 119.708 120.719 -1.011 17645
7898 1 20 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.005 0.193 17645
7899 1 20 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.482 -0.012 17645
7900 1 20 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.687 0.503 17645
7901 1 20 . 1 1 18 18 LYS H H 33 7.564 7.564 7.542 0.022 17645
7902 1 20 . 1 1 19 19 PHE N N 34 118.256 118.256 117.501 0.755 17645
7903 1 20 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.167 0.084 17645
7904 1 20 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.279 0.431 17645
7905 1 20 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.684 1.067 17645
7906 1 20 . 1 1 19 19 PHE H H 34 7.884 7.884 7.275 0.609 17645
7907 1 20 . 1 1 20 20 ASN N N 35 117.779 117.779 117.972 -0.193 17645
7908 1 20 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.391 0.069 17645
7909 1 20 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.136 0.214 17645
7910 1 20 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.170 0.830 17645
7911 1 20 . 1 1 20 20 ASN H H 35 8.054 8.054 8.132 -0.078 17645
7912 1 20 . 1 1 21 21 GLU N N 36 120.312 120.312 120.807 -0.495 17645
7913 1 20 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.997 0.109 17645
7914 1 20 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.668 0.102 17645
7915 1 20 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.721 0.789 17645
7916 1 20 . 1 1 21 21 GLU H H 36 7.983 7.983 7.706 0.277 17645
7917 1 20 . 1 1 22 22 VAL N N 37 119.756 119.756 119.325 0.431 17645
7918 1 20 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.701 0.141 17645
7919 1 20 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.805 -0.695 17645
7920 1 20 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.812 0.868 17645
7921 1 20 . 1 1 22 22 VAL H H 37 7.670 7.670 7.767 -0.097 17645
7922 1 20 . 1 1 23 23 VAL N N 38 118.300 118.300 119.230 -0.930 17645
7923 1 20 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.666 0.011 17645
7924 1 20 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.494 0.056 17645
7925 1 20 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.179 1.301 17645
7926 1 20 . 1 1 23 23 VAL H H 38 8.159 8.159 8.362 -0.203 17645
7927 1 20 . 1 1 24 24 SER N N 39 113.952 113.952 116.515 -2.563 17645
7928 1 20 . 1 1 24 24 SER HA H 39 4.170 4.170 4.275 -0.105 17645
7929 1 20 . 1 1 24 24 SER CA C 39 61.880 61.880 61.663 0.218 17645
7930 1 20 . 1 1 24 24 SER CB C 39 63.740 63.740 62.954 0.786 17645
7931 1 20 . 1 1 24 24 SER H H 39 7.773 7.773 8.192 -0.419 17645
7932 1 20 . 1 1 25 25 ALA N N 40 122.572 122.572 123.187 -0.615 17645
7933 1 20 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.179 0.246 17645
7934 1 20 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.378 -1.498 17645
7935 1 20 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.075 1.375 17645
7936 1 20 . 1 1 25 25 ALA H H 40 7.436 7.436 7.740 -0.304 17645
7937 1 20 . 1 1 26 26 LEU N N 41 120.677 120.677 113.429 7.248 17645
7938 1 20 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.507 -0.126 17645
7939 1 20 . 1 1 26 26 LEU CA C 41 55.860 55.860 54.789 1.071 17645
7940 1 20 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.921 0.269 17645
7941 1 20 . 1 1 26 26 LEU H H 41 7.499 7.499 7.271 0.228 17645
7942 1 20 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.023 0.262 17645
7943 1 20 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.643 0.607 17645
7944 1 20 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.783 2.087 17645
7945 1 20 . 1 1 28 28 ASP N N 43 120.989 120.989 118.799 2.190 17645
7946 1 20 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.313 0.488 17645
7947 1 20 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.509 -0.949 17645
7948 1 20 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.137 2.303 17645
7949 1 20 . 1 1 28 28 ASP H H 43 8.513 8.513 8.655 -0.142 17645
7950 1 20 . 1 1 29 29 GLY N N 44 108.379 108.379 110.356 -1.977 17645
7951 1 20 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.483 1.057 17645
7952 1 20 . 1 1 29 29 GLY H H 44 8.425 8.425 8.624 -0.199 17645
7953 1 20 . 1 1 30 30 LYS N N 45 119.932 119.932 120.565 -0.633 17645
7954 1 20 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.121 -0.042 17645
7955 1 20 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.764 0.756 17645
7956 1 20 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.264 0.806 17645
7957 1 20 . 1 1 30 30 LYS H H 45 8.269 8.269 8.438 -0.169 17645
7958 1 20 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.316 -0.008 17645
7959 1 20 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.076 0.965 17645
7960 1 20 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.219 0.601 17645
7961 1 20 . 1 1 32 32 GLU N N 47 118.526 118.526 118.656 -0.130 17645
7962 1 20 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.083 0.050 17645
7963 1 20 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.777 0.393 17645
7964 1 20 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.263 0.647 17645
7965 1 20 . 1 1 32 32 GLU H H 47 8.189 8.189 8.498 -0.309 17645
7966 1 20 . 1 1 33 33 VAL N N 48 120.183 120.183 120.467 -0.284 17645
7967 1 20 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.481 0.431 17645
7968 1 20 . 1 1 33 33 VAL CA C 48 66.300 66.300 67.134 -0.834 17645
7969 1 20 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.421 0.939 17645
7970 1 20 . 1 1 33 33 VAL H H 48 7.744 7.744 8.274 -0.530 17645
7971 1 20 . 1 1 34 34 ASN N N 49 119.700 119.700 117.350 2.350 17645
7972 1 20 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.426 0.024 17645
7973 1 20 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.323 0.727 17645
7974 1 20 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.034 0.616 17645
7975 1 20 . 1 1 34 34 ASN H H 49 8.582 8.582 8.665 -0.083 17645
7976 1 20 . 1 1 35 35 ARG N N 50 121.009 121.009 121.153 -0.144 17645
7977 1 20 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.029 0.108 17645
7978 1 20 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.585 0.185 17645
7979 1 20 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.226 0.544 17645
7980 1 20 . 1 1 35 35 ARG H H 50 7.848 7.848 7.818 0.030 17645
7981 1 20 . 1 1 36 36 GLN N N 51 119.394 119.394 119.034 0.360 17645
7982 1 20 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.057 0.006 17645
7983 1 20 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.318 0.692 17645
7984 1 20 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.910 0.860 17645
7985 1 20 . 1 1 36 36 GLN H H 51 7.685 7.685 7.718 -0.033 17645
7986 1 20 . 1 1 37 37 ILE N N 52 122.006 122.006 119.722 2.284 17645
7987 1 20 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.688 -0.234 17645
7988 1 20 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.151 1.149 17645
7989 1 20 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.553 1.347 17645
7990 1 20 . 1 1 37 37 ILE H H 52 8.293 8.293 8.869 -0.576 17645
7991 1 20 . 1 1 38 38 LYS N N 53 121.163 121.163 121.015 0.148 17645
7992 1 20 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.903 0.268 17645
7993 1 20 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.046 -0.996 17645
7994 1 20 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.337 -0.406 17645
7995 1 20 . 1 1 38 38 LYS H H 53 8.169 8.169 7.792 0.377 17645
7996 1 20 . 1 1 39 39 ASN N N 54 117.219 117.219 118.779 -1.560 17645
7997 1 20 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.395 0.088 17645
7998 1 20 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.083 0.527 17645
7999 1 20 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.939 0.501 17645
8000 1 20 . 1 1 39 39 ASN H H 54 8.171 8.171 7.843 0.328 17645
8001 1 20 . 1 1 40 40 LEU N N 55 123.907 123.907 120.743 3.164 17645
8002 1 20 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.101 0.104 17645
8003 1 20 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.400 0.440 17645
8004 1 20 . 1 1 40 40 LEU CB C 55 42.070 42.070 40.935 1.135 17645
8005 1 20 . 1 1 40 40 LEU H H 55 7.702 7.702 8.103 -0.401 17645
8006 1 20 . 1 1 41 41 GLU N N 56 121.779 121.779 120.254 1.525 17645
8007 1 20 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.001 -0.299 17645
8008 1 20 . 1 1 41 41 GLU CA C 56 61.450 61.450 60.012 1.438 17645
8009 1 20 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.623 0.707 17645
8010 1 20 . 1 1 41 41 GLU H H 56 8.442 8.442 7.833 0.609 17645
8011 1 20 . 1 1 42 42 ILE N N 57 119.133 119.133 120.109 -0.976 17645
8012 1 20 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.724 0.159 17645
8013 1 20 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.241 0.309 17645
8014 1 20 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.831 1.119 17645
8015 1 20 . 1 1 42 42 ILE H H 57 8.531 8.531 8.462 0.069 17645
8016 1 20 . 1 1 43 43 SER N N 58 118.622 118.622 116.022 2.600 17645
8017 1 20 . 1 1 43 43 SER HA H 58 4.322 4.322 4.103 0.219 17645
8018 1 20 . 1 1 43 43 SER CA C 58 62.940 62.940 62.692 0.248 17645
8019 1 20 . 1 1 43 43 SER CB C 58 63.500 63.500 62.828 0.673 17645
8020 1 20 . 1 1 43 43 SER H H 58 8.027 8.027 7.943 0.084 17645
8021 1 20 . 1 1 44 44 ILE N N 59 126.416 126.416 122.216 4.200 17645
8022 1 20 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.598 0.030 17645
8023 1 20 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.946 0.964 17645
8024 1 20 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.664 1.496 17645
8025 1 20 . 1 1 44 44 ILE H H 59 8.543 8.543 8.531 0.012 17645
8026 1 20 . 1 1 45 45 ASP N N 60 121.563 121.563 119.729 1.834 17645
8027 1 20 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.318 0.089 17645
8028 1 20 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.652 0.628 17645
8029 1 20 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.712 0.048 17645
8030 1 20 . 1 1 45 45 ASP H H 60 8.406 8.406 7.999 0.407 17645
8031 1 20 . 1 1 46 46 ALA N N 61 123.500 123.500 122.706 0.794 17645
8032 1 20 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645
8033 1 20 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.138 0.572 17645
8034 1 20 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.440 0.220 17645
8035 1 20 . 1 1 46 46 ALA H H 61 8.538 8.538 8.174 0.364 17645
8036 1 20 . 1 1 47 47 LEU N N 62 121.942 121.942 119.580 2.362 17645
8037 1 20 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.864 0.430 17645
8038 1 20 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.710 -0.050 17645
8039 1 20 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.825 -0.686 17645
8040 1 20 . 1 1 47 47 LEU H H 62 7.801 7.801 7.720 0.081 17645
8041 1 20 . 1 1 48 48 MET N N 63 118.068 118.068 118.910 -0.842 17645
8042 1 20 . 1 1 48 48 MET HA H 63 3.945 3.945 3.811 0.134 17645
8043 1 20 . 1 1 48 48 MET CA C 63 60.330 60.330 59.592 0.738 17645
8044 1 20 . 1 1 48 48 MET CB C 63 33.110 33.110 32.455 0.655 17645
8045 1 20 . 1 1 48 48 MET H H 63 8.261 8.261 7.804 0.457 17645
8046 1 20 . 1 1 49 49 ALA N N 64 120.428 120.428 118.725 1.703 17645
8047 1 20 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.035 0.066 17645
8048 1 20 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.069 0.701 17645
8049 1 20 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.042 0.728 17645
8050 1 20 . 1 1 49 49 ALA H H 64 8.045 8.045 8.021 0.024 17645
8051 1 20 . 1 1 50 50 LYS N N 65 121.947 121.947 118.504 3.443 17645
8052 1 20 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.240 -0.201 17645
8053 1 20 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.809 1.711 17645
8054 1 20 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.739 0.941 17645
8055 1 20 . 1 1 50 50 LYS H H 65 8.063 8.063 7.792 0.271 17645
8056 1 20 . 1 1 51 51 ILE N N 66 121.189 121.189 118.329 2.860 17645
8057 1 20 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.904 -0.154 17645
8058 1 20 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.390 3.350 17645
8059 1 20 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.312 1.808 17645
8060 1 20 . 1 1 51 51 ILE H H 66 8.437 8.437 8.282 0.155 17645
8061 1 20 . 1 1 52 52 LYS N N 67 117.119 117.119 118.269 -1.150 17645
8062 1 20 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.255 -0.119 17645
8063 1 20 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.856 1.354 17645
8064 1 20 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.016 0.664 17645
8065 1 20 . 1 1 52 52 LYS H H 67 7.622 7.622 7.796 -0.174 17645
8066 1 20 . 1 1 53 53 SER N N 68 111.824 111.824 113.972 -2.148 17645
8067 1 20 . 1 1 53 53 SER HA H 68 4.602 4.602 4.543 0.059 17645
8068 1 20 . 1 1 53 53 SER CA C 68 59.960 59.960 58.430 1.530 17645
8069 1 20 . 1 1 53 53 SER CB C 68 65.750 65.750 63.053 2.697 17645
8070 1 20 . 1 1 53 53 SER H H 68 7.750 7.750 7.886 -0.136 17645
8071 1 20 . 1 1 54 54 THR N N 69 115.916 115.916 111.622 4.294 17645
8072 1 20 . 1 1 54 54 THR HA H 69 4.596 4.596 4.426 0.170 17645
8073 1 20 . 1 1 54 54 THR CA C 69 62.460 62.460 61.711 0.749 17645
8074 1 20 . 1 1 54 54 THR CB C 69 71.650 71.650 70.066 1.584 17645
8075 1 20 . 1 1 54 54 THR H H 69 7.972 7.972 7.050 0.922 17645
8076 1 20 . 1 1 55 55 MET N N 70 121.343 121.343 120.624 0.719 17645
8077 1 20 . 1 1 55 55 MET HA H 70 4.551 4.551 4.743 -0.192 17645
8078 1 20 . 1 1 55 55 MET CA C 70 56.050 56.050 53.786 2.264 17645
8079 1 20 . 1 1 55 55 MET CB C 70 32.500 32.500 33.015 -0.515 17645
8080 1 20 . 1 1 55 55 MET H H 70 8.306 8.306 8.346 -0.040 17645
8081 1 20 . 1 1 56 56 MET N N 71 123.196 123.196 120.057 3.139 17645
8082 1 20 . 1 1 56 56 MET HA H 71 4.706 4.706 4.339 0.367 17645
8083 1 20 . 1 1 56 56 MET CA C 71 55.860 55.860 56.617 -0.757 17645
8084 1 20 . 1 1 56 56 MET CB C 71 37.620 37.620 33.035 4.585 17645
8085 1 20 . 1 1 56 56 MET H H 71 8.114 8.114 7.638 0.476 17645
8086 1 20 . 1 1 57 57 THR N N 72 113.158 113.158 115.268 -2.110 17645
8087 1 20 . 1 1 57 57 THR HA H 72 4.483 4.483 4.503 -0.020 17645
8088 1 20 . 1 1 57 57 THR CA C 72 61.080 61.080 61.749 -0.669 17645
8089 1 20 . 1 1 57 57 THR CB C 72 71.670 71.670 70.323 1.347 17645
8090 1 20 . 1 1 57 57 THR H H 72 8.486 8.486 8.491 -0.005 17645
8091 1 20 . 1 1 58 58 ARG N N 73 121.911 121.911 124.585 -2.674 17645
8092 1 20 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.974 -0.065 17645
8093 1 20 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.865 0.655 17645
8094 1 20 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.781 0.549 17645
8095 1 20 . 1 1 58 58 ARG H H 73 8.961 8.961 8.922 0.039 17645
8096 1 20 . 1 1 59 59 GLU N N 74 118.955 118.955 119.394 -0.439 17645
8097 1 20 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.988 0.044 17645
8098 1 20 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.689 0.201 17645
8099 1 20 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.950 1.010 17645
8100 1 20 . 1 1 59 59 GLU H H 74 8.833 8.833 8.858 -0.025 17645
8101 1 20 . 1 1 60 60 GLN N N 75 121.077 121.077 118.620 2.457 17645
8102 1 20 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.077 -0.087 17645
8103 1 20 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.779 0.621 17645
8104 1 20 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.604 0.786 17645
8105 1 20 . 1 1 60 60 GLN H H 75 7.801 7.801 7.588 0.213 17645
8106 1 20 . 1 1 61 61 ILE N N 76 120.016 120.016 119.337 0.679 17645
8107 1 20 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.168 -0.739 17645
8108 1 20 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.789 4.071 17645
8109 1 20 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.931 1.779 17645
8110 1 20 . 1 1 61 61 ILE H H 76 8.250 8.250 7.494 0.756 17645
8111 1 20 . 1 1 62 62 GLN N N 77 119.153 119.153 120.572 -1.419 17645
8112 1 20 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.979 -0.212 17645
8113 1 20 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.669 0.101 17645
8114 1 20 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.448 0.632 17645
8115 1 20 . 1 1 62 62 GLN H H 77 8.295 8.295 8.192 0.103 17645
8116 1 20 . 1 1 63 63 LYS N N 78 118.200 118.200 120.069 -1.869 17645
8117 1 20 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.047 0.107 17645
8118 1 20 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.365 0.784 17645
8119 1 20 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.272 1.038 17645
8120 1 20 . 1 1 63 63 LYS H H 78 7.839 7.839 7.821 0.018 17645
8121 1 20 . 1 1 64 64 GLU N N 79 120.133 120.133 119.433 0.700 17645
8122 1 20 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.972 0.170 17645
8123 1 20 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.609 0.721 17645
8124 1 20 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.631 0.979 17645
8125 1 20 . 1 1 64 64 GLU H H 79 7.899 7.899 8.023 -0.123 17645
8126 1 20 . 1 1 65 65 TYR N N 80 122.505 122.505 119.954 2.551 17645
8127 1 20 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.201 -0.259 17645
8128 1 20 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.571 1.189 17645
8129 1 20 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.453 1.017 17645
8130 1 20 . 1 1 65 65 TYR H H 80 9.023 9.023 8.223 0.800 17645
8131 1 20 . 1 1 66 66 ASP N N 81 120.497 120.497 119.974 0.523 17645
8132 1 20 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.438 -0.221 17645
8133 1 20 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.145 -0.045 17645
8134 1 20 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.447 0.193 17645
8135 1 20 . 1 1 66 66 ASP H H 81 9.089 9.089 7.842 1.247 17645
8136 1 20 . 1 1 67 67 ALA N N 82 122.397 122.397 122.533 -0.136 17645
8137 1 20 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.111 0.076 17645
8138 1 20 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.124 0.706 17645
8139 1 20 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.465 0.455 17645
8140 1 20 . 1 1 67 67 ALA H H 82 7.636 7.636 8.238 -0.602 17645
8141 1 20 . 1 1 68 68 LEU N N 83 121.806 121.806 118.374 3.432 17645
8142 1 20 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.035 0.111 17645
8143 1 20 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.864 0.416 17645
8144 1 20 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.929 0.931 17645
8145 1 20 . 1 1 68 68 LEU H H 83 7.727 7.727 7.701 0.026 17645
8146 1 20 . 1 1 69 69 VAL N N 84 123.560 123.560 120.707 2.853 17645
8147 1 20 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.672 -0.367 17645
8148 1 20 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.174 1.865 17645
8149 1 20 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.245 0.944 17645
8150 1 20 . 1 1 69 69 VAL H H 84 8.560 8.560 7.923 0.637 17645
8151 1 20 . 1 1 70 70 LYS N N 85 121.398 121.398 120.464 0.934 17645
8152 1 20 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.003 0.089 17645
8153 1 20 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.713 0.537 17645
8154 1 20 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.154 0.606 17645
8155 1 20 . 1 1 70 70 LYS H H 85 7.956 7.956 8.226 -0.270 17645
8156 1 20 . 1 1 71 71 SER N N 86 114.825 114.825 114.282 0.543 17645
8157 1 20 . 1 1 71 71 SER HA H 86 4.298 4.298 4.185 0.113 17645
8158 1 20 . 1 1 71 71 SER CA C 86 62.810 62.810 61.596 1.214 17645
8159 1 20 . 1 1 71 71 SER CB C 86 63.640 63.640 62.876 0.764 17645
8160 1 20 . 1 1 71 71 SER H H 86 8.284 8.284 7.802 0.482 17645
8161 1 20 . 1 1 72 72 SER N N 87 118.845 118.845 117.015 1.830 17645
8162 1 20 . 1 1 72 72 SER HA H 87 4.269 4.269 4.031 0.238 17645
8163 1 20 . 1 1 72 72 SER CA C 87 62.940 62.940 61.943 0.997 17645
8164 1 20 . 1 1 72 72 SER CB C 87 63.870 63.870 62.642 1.228 17645
8165 1 20 . 1 1 72 72 SER H H 87 8.421 8.421 8.247 0.174 17645
8166 1 20 . 1 1 73 73 GLU N N 88 124.809 124.809 122.423 2.386 17645
8167 1 20 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.935 0.117 17645
8168 1 20 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.597 0.633 17645
8169 1 20 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.382 0.848 17645
8170 1 20 . 1 1 73 73 GLU H H 88 8.376 8.376 7.890 0.486 17645
8171 1 20 . 1 1 74 74 ASP N N 89 122.193 122.193 118.959 3.234 17645
8172 1 20 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.440 -0.029 17645
8173 1 20 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.338 0.572 17645
8174 1 20 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.647 -0.066 17645
8175 1 20 . 1 1 74 74 ASP H H 89 8.734 8.734 7.825 0.909 17645
8176 1 20 . 1 1 75 75 LEU N N 90 123.280 123.280 122.001 1.279 17645
8177 1 20 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.023 0.267 17645
8178 1 20 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.504 1.056 17645
8179 1 20 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.953 0.077 17645
8180 1 20 . 1 1 75 75 LEU H H 90 7.986 7.986 7.119 0.867 17645
8181 1 20 . 1 1 76 76 LEU N N 91 120.488 120.488 117.531 2.957 17645
8182 1 20 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.704 0.134 17645
8183 1 20 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.161 1.038 17645
8184 1 20 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.028 0.482 17645
8185 1 20 . 1 1 76 76 LEU H H 91 8.280 8.280 8.151 0.129 17645
8186 1 20 . 1 1 77 77 SER N N 92 113.817 113.817 114.822 -1.005 17645
8187 1 20 . 1 1 77 77 SER HA H 92 4.235 4.235 4.256 -0.021 17645
8188 1 20 . 1 1 77 77 SER CA C 92 62.200 62.200 60.989 1.211 17645
8189 1 20 . 1 1 77 77 SER CB C 92 63.440 63.440 62.999 0.441 17645
8190 1 20 . 1 1 77 77 SER H H 92 8.219 8.219 7.944 0.275 17645
8191 1 20 . 1 1 78 78 ALA N N 93 124.902 124.902 125.006 -0.104 17645
8192 1 20 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.063 0.103 17645
8193 1 20 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.683 1.177 17645
8194 1 20 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.279 0.481 17645
8195 1 20 . 1 1 78 78 ALA H H 93 7.949 7.949 7.768 0.181 17645
8196 1 20 . 1 1 79 79 LEU N N 94 120.602 120.602 120.048 0.554 17645
8197 1 20 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.827 0.240 17645
8198 1 20 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.926 -0.456 17645
8199 1 20 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.888 0.722 17645
8200 1 20 . 1 1 79 79 LEU H H 94 8.587 8.587 7.891 0.696 17645
8201 1 20 . 1 1 80 80 GLN N N 95 119.525 119.525 117.781 1.744 17645
8202 1 20 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.907 0.141 17645
8203 1 20 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.502 0.088 17645
8204 1 20 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.291 0.549 17645
8205 1 20 . 1 1 80 80 GLN H H 95 8.561 8.561 8.209 0.352 17645
8206 1 20 . 1 1 81 81 LYS N N 96 121.075 121.075 118.323 2.752 17645
8207 1 20 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.198 -0.061 17645
8208 1 20 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.332 0.718 17645
8209 1 20 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.161 0.779 17645
8210 1 20 . 1 1 81 81 LYS H H 96 8.003 8.003 7.800 0.203 17645
8211 1 20 . 1 1 82 82 LYS N N 97 121.415 121.415 119.611 1.804 17645
8212 1 20 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.055 0.070 17645
8213 1 20 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.681 0.289 17645
8214 1 20 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.351 0.769 17645
8215 1 20 . 1 1 82 82 LYS H H 97 7.903 7.903 7.839 0.064 17645
8216 1 20 . 1 1 83 83 LYS N N 98 121.081 121.081 118.735 2.346 17645
8217 1 20 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.962 0.020 17645
8218 1 20 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.296 0.714 17645
8219 1 20 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.829 1.291 17645
8220 1 20 . 1 1 83 83 LYS H H 98 8.202 8.202 8.001 0.201 17645
8221 1 20 . 1 1 84 84 GLN N N 99 119.576 119.576 118.171 1.405 17645
8222 1 20 . 1 1 84 84 GLN HA H 99 4.124 4.124 3.970 0.154 17645
8223 1 20 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.388 1.422 17645
8224 1 20 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.127 0.833 17645
8225 1 20 . 1 1 84 84 GLN H H 99 8.125 8.125 8.287 -0.162 17645
8226 1 20 . 1 1 85 85 GLN N N 100 120.009 120.009 118.661 1.348 17645
8227 1 20 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.102 0.019 17645
8228 1 20 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.095 1.495 17645
8229 1 20 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.763 0.257 17645
8230 1 20 . 1 1 85 85 GLN H H 100 8.341 8.341 7.601 0.740 17645
8231 1 20 . 1 1 86 86 GLU N N 101 121.718 121.718 118.386 3.332 17645
8232 1 20 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.147 -0.012 17645
8233 1 20 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.337 2.093 17645
8234 1 20 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.199 -0.059 17645
8235 1 20 . 1 1 86 86 GLU H H 101 8.275 8.275 8.253 0.022 17645
8236 1 20 . 1 1 87 87 GLU N N 102 121.412 121.412 118.653 2.759 17645
8237 1 20 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.458 -0.342 17645
8238 1 20 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.786 4.174 17645
8239 1 20 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.186 -0.896 17645
8240 1 20 . 1 1 87 87 GLU H H 102 8.330 8.330 7.867 0.463 17645
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 81 2.283 -0.904 2.110 17645
2 1 1 "Average Difference" HA 90 0.204 -0.060 0.196 17645
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17645
4 1 1 "Average Difference" CA 86 1.178 -0.754 0.911 17645
5 1 1 "Average Difference" CB 82 1.180 -0.848 0.825 17645
6 1 1 "Average Difference" HN 81 0.411 -0.155 0.383 17645
7 1 2 "Average Difference" N 81 2.001 -0.744 1.870 17645
8 1 2 "Average Difference" HA 90 0.182 -0.053 0.175 17645
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17645
10 1 2 "Average Difference" CA 86 1.138 -0.726 0.881 17645
11 1 2 "Average Difference" CB 82 1.116 -0.845 0.733 17645
12 1 2 "Average Difference" HN 81 0.403 -0.128 0.385 17645
13 1 3 "Average Difference" N 81 2.300 -0.850 2.150 17645
14 1 3 "Average Difference" HA 90 0.206 -0.063 0.197 17645
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17645
16 1 3 "Average Difference" CA 86 1.171 -0.746 0.908 17645
17 1 3 "Average Difference" CB 82 1.199 -0.876 0.824 17645
18 1 3 "Average Difference" HN 81 0.407 -0.189 0.363 17645
19 1 4 "Average Difference" N 81 2.160 -0.892 1.980 17645
20 1 4 "Average Difference" HA 90 0.183 -0.052 0.176 17645
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17645
22 1 4 "Average Difference" CA 86 1.213 -0.768 0.945 17645
23 1 4 "Average Difference" CB 82 1.214 -0.889 0.831 17645
24 1 4 "Average Difference" HN 81 0.410 -0.143 0.387 17645
25 1 5 "Average Difference" N 81 2.161 -0.704 2.055 17645
26 1 5 "Average Difference" HA 90 0.182 -0.053 0.175 17645
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17645
28 1 5 "Average Difference" CA 86 1.171 -0.719 0.929 17645
29 1 5 "Average Difference" CB 82 1.117 -0.872 0.703 17645
30 1 5 "Average Difference" HN 81 0.432 -0.101 0.423 17645
31 1 6 "Average Difference" N 81 2.142 -0.828 1.988 17645
32 1 6 "Average Difference" HA 90 0.193 -0.064 0.183 17645
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17645
34 1 6 "Average Difference" CA 86 1.228 -0.802 0.935 17645
35 1 6 "Average Difference" CB 82 1.173 -0.891 0.768 17645
36 1 6 "Average Difference" HN 81 0.397 -0.132 0.376 17645
37 1 7 "Average Difference" N 81 2.261 -0.744 2.148 17645
38 1 7 "Average Difference" HA 90 0.195 -0.058 0.187 17645
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17645
40 1 7 "Average Difference" CA 86 1.077 -0.698 0.825 17645
41 1 7 "Average Difference" CB 82 1.160 -0.858 0.786 17645
42 1 7 "Average Difference" HN 81 0.437 -0.139 0.417 17645
43 1 8 "Average Difference" N 81 2.156 -0.602 2.083 17645
44 1 8 "Average Difference" HA 90 0.208 -0.056 0.202 17645
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17645
46 1 8 "Average Difference" CA 86 1.182 -0.736 0.931 17645
47 1 8 "Average Difference" CB 82 1.138 -0.856 0.755 17645
48 1 8 "Average Difference" HN 81 0.420 -0.140 0.398 17645
49 1 9 "Average Difference" N 81 1.983 -0.747 1.848 17645
50 1 9 "Average Difference" HA 90 0.196 -0.060 0.187 17645
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17645
52 1 9 "Average Difference" CA 86 1.161 -0.751 0.890 17645
53 1 9 "Average Difference" CB 82 1.216 -0.870 0.855 17645
54 1 9 "Average Difference" HN 81 0.423 -0.111 0.411 17645
55 1 10 "Average Difference" N 81 2.213 -0.656 2.126 17645
56 1 10 "Average Difference" HA 90 0.191 -0.049 0.185 17645
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17645
58 1 10 "Average Difference" CA 86 1.213 -0.779 0.935 17645
59 1 10 "Average Difference" CB 82 1.227 -0.908 0.831 17645
60 1 10 "Average Difference" HN 81 0.392 -0.122 0.375 17645
61 1 11 "Average Difference" N 81 2.193 -0.820 2.046 17645
62 1 11 "Average Difference" HA 90 0.187 -0.071 0.174 17645
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17645
64 1 11 "Average Difference" CA 86 1.162 -0.733 0.907 17645
65 1 11 "Average Difference" CB 82 1.220 -0.913 0.814 17645
66 1 11 "Average Difference" HN 81 0.416 -0.138 0.395 17645
67 1 12 "Average Difference" N 81 2.070 -0.767 1.935 17645
68 1 12 "Average Difference" HA 90 0.201 -0.061 0.193 17645
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17645
70 1 12 "Average Difference" CA 86 1.211 -0.792 0.922 17645
71 1 12 "Average Difference" CB 82 1.193 -0.872 0.819 17645
72 1 12 "Average Difference" HN 81 0.400 -0.137 0.378 17645
73 1 13 "Average Difference" N 81 2.266 -0.853 2.113 17645
74 1 13 "Average Difference" HA 90 0.196 -0.062 0.187 17645
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17645
76 1 13 "Average Difference" CA 86 1.157 -0.728 0.905 17645
77 1 13 "Average Difference" CB 82 1.127 -0.846 0.749 17645
78 1 13 "Average Difference" HN 81 0.411 -0.148 0.386 17645
79 1 14 "Average Difference" N 81 2.120 -0.760 1.992 17645
80 1 14 "Average Difference" HA 90 0.194 -0.053 0.187 17645
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17645
82 1 14 "Average Difference" CA 86 1.251 -0.711 1.035 17645
83 1 14 "Average Difference" CB 82 1.163 -0.772 0.874 17645
84 1 14 "Average Difference" HN 81 0.398 -0.134 0.377 17645
85 1 15 "Average Difference" N 81 2.033 -0.850 1.858 17645
86 1 15 "Average Difference" HA 90 0.188 -0.049 0.183 17645
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17645
88 1 15 "Average Difference" CA 86 1.101 -0.720 0.837 17645
89 1 15 "Average Difference" CB 82 1.116 -0.827 0.754 17645
90 1 15 "Average Difference" HN 81 0.420 -0.160 0.390 17645
91 1 16 "Average Difference" N 81 2.173 -0.872 2.002 17645
92 1 16 "Average Difference" HA 90 0.215 -0.028 0.214 17645
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17645
94 1 16 "Average Difference" CA 86 1.260 -0.754 1.015 17645
95 1 16 "Average Difference" CB 82 1.193 -0.824 0.869 17645
96 1 16 "Average Difference" HN 81 0.400 -0.124 0.383 17645
97 1 17 "Average Difference" N 81 2.349 -0.875 2.193 17645
98 1 17 "Average Difference" HA 90 0.200 -0.080 0.184 17645
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17645
100 1 17 "Average Difference" CA 86 1.139 -0.707 0.898 17645
101 1 17 "Average Difference" CB 82 1.155 -0.868 0.766 17645
102 1 17 "Average Difference" HN 81 0.391 -0.106 0.379 17645
103 1 18 "Average Difference" N 81 2.245 -0.968 2.038 17645
104 1 18 "Average Difference" HA 90 0.188 -0.043 0.184 17645
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17645
106 1 18 "Average Difference" CA 86 1.263 -0.765 1.011 17645
107 1 18 "Average Difference" CB 82 1.127 -0.837 0.759 17645
108 1 18 "Average Difference" HN 81 0.414 -0.157 0.385 17645
109 1 19 "Average Difference" N 81 2.271 -0.721 2.167 17645
110 1 19 "Average Difference" HA 90 0.191 -0.049 0.186 17645
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17645
112 1 19 "Average Difference" CA 86 1.251 -0.781 0.983 17645
113 1 19 "Average Difference" CB 82 1.150 -0.880 0.744 17645
114 1 19 "Average Difference" HN 81 0.381 -0.113 0.366 17645
115 1 20 "Average Difference" N 81 2.092 -0.883 1.909 17645
116 1 20 "Average Difference" HA 90 0.211 -0.059 0.204 17645
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17645
118 1 20 "Average Difference" CA 86 1.132 -0.614 0.956 17645
119 1 20 "Average Difference" CB 82 1.093 -0.813 0.735 17645
120 1 20 "Average Difference" HN 81 0.400 -0.143 0.376 17645
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 17645
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY N N 17 110.356 110.356 110.733 -0.377 17645
2 1 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.829 0.781 17645
3 1 . 1 1 2 2 GLY H H 17 8.065 8.065 8.305 -0.240 17645
4 1 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.451 -0.058 17645
5 1 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.053 1.617 17645
6 1 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.973 0.727 17645
7 1 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.466 1.264 17645
8 1 . 1 1 5 5 SER HA H 20 4.192 4.192 4.450 -0.258 17645
9 1 . 1 1 5 5 SER CA C 20 60.960 60.960 59.534 1.426 17645
10 1 . 1 1 5 5 SER CB C 20 64.250 64.250 63.435 0.815 17645
11 1 . 1 1 6 6 LEU N N 21 122.731 122.731 122.956 -0.225 17645
12 1 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.029 0.091 17645
13 1 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.039 -0.319 17645
14 1 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.667 1.303 17645
15 1 . 1 1 6 6 LEU H H 21 8.052 8.052 8.044 0.008 17645
16 1 . 1 1 7 7 VAL N N 22 119.948 119.948 118.746 1.202 17645
17 1 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.611 0.142 17645
18 1 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.425 -1.075 17645
19 1 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.496 1.104 17645
20 1 . 1 1 7 7 VAL H H 22 7.676 7.676 8.005 -0.329 17645
21 1 . 1 1 8 8 LYS N N 23 122.400 122.400 119.334 3.066 17645
22 1 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.050 0.137 17645
23 1 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.411 -0.581 17645
24 1 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.128 0.432 17645
25 1 . 1 1 8 8 LYS H H 23 7.830 7.830 7.643 0.187 17645
26 1 . 1 1 9 9 VAL N N 24 121.205 121.205 118.770 2.435 17645
27 1 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.731 0.095 17645
28 1 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.627 0.233 17645
29 1 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.219 1.231 17645
30 1 . 1 1 9 9 VAL H H 24 8.194 8.194 7.797 0.397 17645
31 1 . 1 1 10 10 GLY N N 25 107.900 107.900 106.686 1.214 17645
32 1 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.534 0.126 17645
33 1 . 1 1 10 10 GLY H H 25 8.446 8.446 8.391 0.055 17645
34 1 . 1 1 11 11 THR N N 26 116.800 116.800 119.317 -2.517 17645
35 1 . 1 1 11 11 THR HA H 26 4.109 4.109 3.907 0.202 17645
36 1 . 1 1 11 11 THR CA C 26 66.300 66.300 66.482 -0.182 17645
37 1 . 1 1 11 11 THR CB C 26 69.690 69.690 68.467 1.223 17645
38 1 . 1 1 11 11 THR H H 26 7.992 7.992 7.891 0.101 17645
39 1 . 1 1 12 12 LEU N N 27 123.983 123.983 122.709 1.274 17645
40 1 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.984 0.143 17645
41 1 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.919 0.551 17645
42 1 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.589 1.221 17645
43 1 . 1 1 12 12 LEU H H 27 7.934 7.934 7.952 -0.018 17645
44 1 . 1 1 13 13 LYS N N 28 117.513 117.513 119.025 -1.512 17645
45 1 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.820 0.083 17645
46 1 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.897 0.252 17645
47 1 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.065 0.665 17645
48 1 . 1 1 13 13 LYS H H 28 7.824 7.824 7.792 0.032 17645
49 1 . 1 1 14 14 LYS N N 29 119.275 119.275 118.763 0.512 17645
50 1 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.985 0.166 17645
51 1 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.424 0.036 17645
52 1 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.128 0.622 17645
53 1 . 1 1 14 14 LYS H H 29 7.685 7.685 7.669 0.016 17645
54 1 . 1 1 15 15 ARG N N 30 119.090 119.090 120.015 -0.925 17645
55 1 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.782 0.278 17645
56 1 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.658 0.372 17645
57 1 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.585 0.925 17645
58 1 . 1 1 15 15 ARG H H 30 7.709 7.709 7.436 0.273 17645
59 1 . 1 1 16 16 LEU N N 31 118.473 118.473 120.726 -2.253 17645
60 1 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.946 0.031 17645
61 1 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.458 -0.378 17645
62 1 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.625 -0.305 17645
63 1 . 1 1 16 16 LEU H H 31 7.595 7.595 8.107 -0.512 17645
64 1 . 1 1 17 17 ASP N N 32 120.020 120.020 118.823 1.197 17645
65 1 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.255 0.184 17645
66 1 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.731 0.249 17645
67 1 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.574 0.306 17645
68 1 . 1 1 17 17 ASP H H 32 7.858 7.858 7.769 0.088 17645
69 1 . 1 1 18 18 LYS N N 33 119.708 119.708 120.460 -0.752 17645
70 1 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.010 0.188 17645
71 1 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.614 -0.144 17645
72 1 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.670 0.520 17645
73 1 . 1 1 18 18 LYS H H 33 7.564 7.564 7.476 0.088 17645
74 1 . 1 1 19 19 PHE N N 34 118.256 118.256 117.806 0.450 17645
75 1 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.206 0.045 17645
76 1 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.082 0.628 17645
77 1 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.732 1.018 17645
78 1 . 1 1 19 19 PHE H H 34 7.884 7.884 7.448 0.436 17645
79 1 . 1 1 20 20 ASN N N 35 117.779 117.779 118.020 -0.241 17645
80 1 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.411 0.049 17645
81 1 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.843 0.507 17645
82 1 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.088 0.912 17645
83 1 . 1 1 20 20 ASN H H 35 8.054 8.054 8.097 -0.043 17645
84 1 . 1 1 21 21 GLU N N 36 120.312 120.312 120.741 -0.429 17645
85 1 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.050 0.056 17645
86 1 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.646 0.124 17645
87 1 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.682 0.828 17645
88 1 . 1 1 21 21 GLU H H 36 7.983 7.983 7.778 0.205 17645
89 1 . 1 1 22 22 VAL N N 37 119.756 119.756 119.389 0.367 17645
90 1 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.726 0.116 17645
91 1 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.289 -0.179 17645
92 1 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.521 1.159 17645
93 1 . 1 1 22 22 VAL H H 37 7.670 7.670 7.802 -0.132 17645
94 1 . 1 1 23 23 VAL N N 38 118.300 118.300 119.154 -0.854 17645
95 1 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.687 -0.010 17645
96 1 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.905 0.645 17645
97 1 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.043 1.437 17645
98 1 . 1 1 23 23 VAL H H 38 8.159 8.159 8.351 -0.192 17645
99 1 . 1 1 24 24 SER N N 39 113.952 113.952 116.255 -2.303 17645
100 1 . 1 1 24 24 SER HA H 39 4.170 4.170 4.174 -0.004 17645
101 1 . 1 1 24 24 SER CA C 39 61.880 61.880 61.477 0.403 17645
102 1 . 1 1 24 24 SER CB C 39 63.740 63.740 63.042 0.698 17645
103 1 . 1 1 24 24 SER H H 39 7.773 7.773 8.379 -0.606 17645
104 1 . 1 1 25 25 ALA N N 40 122.572 122.572 122.670 -0.098 17645
105 1 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.220 0.205 17645
106 1 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.154 -1.274 17645
107 1 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.864 1.586 17645
108 1 . 1 1 25 25 ALA H H 40 7.436 7.436 7.705 -0.269 17645
109 1 . 1 1 26 26 LEU N N 41 120.677 120.677 115.924 4.753 17645
110 1 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.312 0.069 17645
111 1 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.443 0.417 17645
112 1 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.394 0.796 17645
113 1 . 1 1 26 26 LEU H H 41 7.499 7.499 7.444 0.055 17645
114 1 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.973 0.311 17645
115 1 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.866 0.384 17645
116 1 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.264 2.606 17645
117 1 . 1 1 28 28 ASP N N 43 120.989 120.989 118.437 2.552 17645
118 1 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.614 0.187 17645
119 1 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.189 0.371 17645
120 1 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.902 1.538 17645
121 1 . 1 1 28 28 ASP H H 43 8.513 8.513 8.020 0.493 17645
122 1 . 1 1 29 29 GLY N N 44 108.379 108.379 111.308 -2.929 17645
123 1 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.635 0.905 17645
124 1 . 1 1 29 29 GLY H H 44 8.425 8.425 8.536 -0.111 17645
125 1 . 1 1 30 30 LYS N N 45 119.932 119.932 120.239 -0.307 17645
126 1 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.206 -0.127 17645
127 1 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.686 0.834 17645
128 1 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.505 0.565 17645
129 1 . 1 1 30 30 LYS H H 45 8.269 8.269 8.427 -0.158 17645
130 1 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.304 0.004 17645
131 1 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.041 0.999 17645
132 1 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.186 0.634 17645
133 1 . 1 1 32 32 GLU N N 47 118.526 118.526 117.972 0.554 17645
134 1 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.064 0.069 17645
135 1 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.429 0.741 17645
136 1 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.996 0.914 17645
137 1 . 1 1 32 32 GLU H H 47 8.189 8.189 8.569 -0.380 17645
138 1 . 1 1 33 33 VAL N N 48 120.183 120.183 120.558 -0.375 17645
139 1 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.631 0.281 17645
140 1 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.239 0.061 17645
141 1 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.479 0.881 17645
142 1 . 1 1 33 33 VAL H H 48 7.744 7.744 7.859 -0.115 17645
143 1 . 1 1 34 34 ASN N N 49 119.700 119.700 117.865 1.835 17645
144 1 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.428 0.022 17645
145 1 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.214 0.836 17645
146 1 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.950 0.700 17645
147 1 . 1 1 34 34 ASN H H 49 8.582 8.582 8.673 -0.091 17645
148 1 . 1 1 35 35 ARG N N 50 121.009 121.009 120.555 0.454 17645
149 1 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.064 0.073 17645
150 1 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.379 0.391 17645
151 1 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.022 0.748 17645
152 1 . 1 1 35 35 ARG H H 50 7.848 7.848 8.006 -0.158 17645
153 1 . 1 1 36 36 GLN N N 51 119.394 119.394 119.283 0.111 17645
154 1 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.114 -0.051 17645
155 1 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.961 1.049 17645
156 1 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.949 0.821 17645
157 1 . 1 1 36 36 GLN H H 51 7.685 7.685 7.723 -0.038 17645
158 1 . 1 1 37 37 ILE N N 52 122.006 122.006 119.725 2.281 17645
159 1 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.691 -0.237 17645
160 1 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.403 0.897 17645
161 1 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.470 1.430 17645
162 1 . 1 1 37 37 ILE H H 52 8.293 8.293 8.850 -0.557 17645
163 1 . 1 1 38 38 LYS N N 53 121.163 121.163 120.705 0.458 17645
164 1 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.987 0.184 17645
165 1 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.756 -0.706 17645
166 1 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.172 -0.242 17645
167 1 . 1 1 38 38 LYS H H 53 8.169 8.169 7.930 0.239 17645
168 1 . 1 1 39 39 ASN N N 54 117.219 117.219 118.293 -1.074 17645
169 1 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.436 0.047 17645
170 1 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.950 0.660 17645
171 1 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.883 0.557 17645
172 1 . 1 1 39 39 ASN H H 54 8.171 8.171 7.883 0.288 17645
173 1 . 1 1 40 40 LEU N N 55 123.907 123.907 120.772 3.135 17645
174 1 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.077 0.128 17645
175 1 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.210 0.630 17645
176 1 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.535 0.535 17645
177 1 . 1 1 40 40 LEU H H 55 7.702 7.702 7.967 -0.265 17645
178 1 . 1 1 41 41 GLU N N 56 121.779 121.779 119.943 1.836 17645
179 1 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.990 -0.288 17645
180 1 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.665 1.785 17645
181 1 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.448 0.882 17645
182 1 . 1 1 41 41 GLU H H 56 8.442 8.442 7.997 0.445 17645
183 1 . 1 1 42 42 ILE N N 57 119.133 119.133 119.933 -0.800 17645
184 1 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.741 0.142 17645
185 1 . 1 1 42 42 ILE CA C 57 65.550 65.550 64.954 0.596 17645
186 1 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.678 1.272 17645
187 1 . 1 1 42 42 ILE H H 57 8.531 8.531 8.279 0.252 17645
188 1 . 1 1 43 43 SER N N 58 118.622 118.622 116.533 2.089 17645
189 1 . 1 1 43 43 SER HA H 58 4.322 4.322 4.085 0.237 17645
190 1 . 1 1 43 43 SER CA C 58 62.940 62.940 62.275 0.665 17645
191 1 . 1 1 43 43 SER CB C 58 63.500 63.500 62.984 0.516 17645
192 1 . 1 1 43 43 SER H H 58 8.027 8.027 7.761 0.266 17645
193 1 . 1 1 44 44 ILE N N 59 126.416 126.416 122.141 4.275 17645
194 1 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.608 0.020 17645
195 1 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.781 1.129 17645
196 1 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.763 1.397 17645
197 1 . 1 1 44 44 ILE H H 59 8.543 8.543 8.391 0.152 17645
198 1 . 1 1 45 45 ASP N N 60 121.563 121.563 119.719 1.844 17645
199 1 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.299 0.108 17645
200 1 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.717 0.562 17645
201 1 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.540 0.220 17645
202 1 . 1 1 45 45 ASP H H 60 8.406 8.406 7.980 0.426 17645
203 1 . 1 1 46 46 ALA N N 61 123.500 123.500 122.588 0.911 17645
204 1 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645
205 1 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.097 0.613 17645
206 1 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.456 0.204 17645
207 1 . 1 1 46 46 ALA H H 61 8.538 8.538 8.036 0.502 17645
208 1 . 1 1 47 47 LEU N N 62 121.942 121.942 119.715 2.227 17645
209 1 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.878 0.416 17645
210 1 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.679 -0.019 17645
211 1 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.827 -0.688 17645
212 1 . 1 1 47 47 LEU H H 62 7.801 7.801 7.740 0.061 17645
213 1 . 1 1 48 48 MET N N 63 118.068 118.068 118.231 -0.163 17645
214 1 . 1 1 48 48 MET HA H 63 3.945 3.945 3.882 0.063 17645
215 1 . 1 1 48 48 MET CA C 63 60.330 60.330 59.034 1.296 17645
216 1 . 1 1 48 48 MET CB C 63 33.110 33.110 32.038 1.072 17645
217 1 . 1 1 48 48 MET H H 63 8.261 8.261 7.799 0.462 17645
218 1 . 1 1 49 49 ALA N N 64 120.428 120.428 118.849 1.579 17645
219 1 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.065 0.036 17645
220 1 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.779 0.991 17645
221 1 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.203 0.567 17645
222 1 . 1 1 49 49 ALA H H 64 8.045 8.045 7.929 0.116 17645
223 1 . 1 1 50 50 LYS N N 65 121.947 121.947 117.777 4.170 17645
224 1 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.263 -0.224 17645
225 1 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.644 1.876 17645
226 1 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.839 0.841 17645
227 1 . 1 1 50 50 LYS H H 65 8.063 8.063 7.770 0.293 17645
228 1 . 1 1 51 51 ILE N N 66 121.189 121.189 118.599 2.590 17645
229 1 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.932 -0.182 17645
230 1 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.800 2.940 17645
231 1 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.281 1.839 17645
232 1 . 1 1 51 51 ILE H H 66 8.437 8.437 8.312 0.125 17645
233 1 . 1 1 52 52 LYS N N 67 117.119 117.119 118.220 -1.101 17645
234 1 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.357 -0.221 17645
235 1 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.299 1.911 17645
236 1 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.131 0.549 17645
237 1 . 1 1 52 52 LYS H H 67 7.622 7.622 7.836 -0.214 17645
238 1 . 1 1 53 53 SER N N 68 111.824 111.824 114.190 -2.366 17645
239 1 . 1 1 53 53 SER HA H 68 4.602 4.602 4.597 0.005 17645
240 1 . 1 1 53 53 SER CA C 68 59.960 59.960 58.537 1.423 17645
241 1 . 1 1 53 53 SER CB C 68 65.750 65.750 63.473 2.277 17645
242 1 . 1 1 53 53 SER H H 68 7.750 7.750 7.737 0.013 17645
243 1 . 1 1 54 54 THR N N 69 115.916 115.916 112.259 3.657 17645
244 1 . 1 1 54 54 THR HA H 69 4.596 4.596 4.410 0.186 17645
245 1 . 1 1 54 54 THR CA C 69 62.460 62.460 61.645 0.815 17645
246 1 . 1 1 54 54 THR CB C 69 71.650 71.650 69.985 1.665 17645
247 1 . 1 1 54 54 THR H H 69 7.972 7.972 7.261 0.711 17645
248 1 . 1 1 55 55 MET N N 70 121.343 121.343 121.967 -0.624 17645
249 1 . 1 1 55 55 MET HA H 70 4.551 4.551 4.571 -0.020 17645
250 1 . 1 1 55 55 MET CA C 70 56.050 56.050 54.610 1.440 17645
251 1 . 1 1 55 55 MET CB C 70 32.500 32.500 32.176 0.324 17645
252 1 . 1 1 55 55 MET H H 70 8.306 8.306 8.571 -0.265 17645
253 1 . 1 1 56 56 MET N N 71 123.196 123.196 121.520 1.676 17645
254 1 . 1 1 56 56 MET HA H 71 4.706 4.706 4.402 0.304 17645
255 1 . 1 1 56 56 MET CA C 71 55.860 55.860 55.598 0.262 17645
256 1 . 1 1 56 56 MET CB C 71 37.620 37.620 32.962 4.658 17645
257 1 . 1 1 56 56 MET H H 71 8.114 8.114 7.716 0.398 17645
258 1 . 1 1 57 57 THR N N 72 113.158 113.158 117.983 -4.825 17645
259 1 . 1 1 57 57 THR HA H 72 4.483 4.483 4.469 0.014 17645
260 1 . 1 1 57 57 THR CA C 72 61.080 61.080 61.940 -0.860 17645
261 1 . 1 1 57 57 THR CB C 72 71.670 71.670 69.928 1.742 17645
262 1 . 1 1 57 57 THR H H 72 8.486 8.486 8.332 0.154 17645
263 1 . 1 1 58 58 ARG N N 73 121.911 121.911 125.318 -3.407 17645
264 1 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.938 -0.029 17645
265 1 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.821 0.699 17645
266 1 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.848 0.482 17645
267 1 . 1 1 58 58 ARG H H 73 8.961 8.961 8.873 0.088 17645
268 1 . 1 1 59 59 GLU N N 74 118.955 118.955 118.826 0.129 17645
269 1 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.019 0.013 17645
270 1 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.021 0.869 17645
271 1 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.995 0.965 17645
272 1 . 1 1 59 59 GLU H H 74 8.833 8.833 8.772 0.061 17645
273 1 . 1 1 60 60 GLN N N 75 121.077 121.077 118.481 2.596 17645
274 1 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.109 -0.119 17645
275 1 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.711 0.689 17645
276 1 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.412 0.978 17645
277 1 . 1 1 60 60 GLN H H 75 7.801 7.801 7.663 0.138 17645
278 1 . 1 1 61 61 ILE N N 76 120.016 120.016 119.629 0.387 17645
279 1 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.904 -0.475 17645
280 1 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.308 3.552 17645
281 1 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.738 1.972 17645
282 1 . 1 1 61 61 ILE H H 76 8.250 8.250 7.538 0.712 17645
283 1 . 1 1 62 62 GLN N N 77 119.153 119.153 120.153 -1.001 17645
284 1 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.036 -0.269 17645
285 1 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.249 0.521 17645
286 1 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.381 0.699 17645
287 1 . 1 1 62 62 GLN H H 77 8.295 8.295 8.199 0.096 17645
288 1 . 1 1 63 63 LYS N N 78 118.200 118.200 119.853 -1.653 17645
289 1 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.087 0.067 17645
290 1 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.392 0.758 17645
291 1 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.278 1.032 17645
292 1 . 1 1 63 63 LYS H H 78 7.839 7.839 7.836 0.003 17645
293 1 . 1 1 64 64 GLU N N 79 120.133 120.133 119.378 0.755 17645
294 1 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.998 0.144 17645
295 1 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.552 0.778 17645
296 1 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.539 1.071 17645
297 1 . 1 1 64 64 GLU H H 79 7.899 7.899 7.989 -0.090 17645
298 1 . 1 1 65 65 TYR N N 80 122.505 122.505 119.602 2.903 17645
299 1 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645
300 1 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.386 1.374 17645
301 1 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.359 1.111 17645
302 1 . 1 1 65 65 TYR H H 80 9.023 9.023 8.051 0.972 17645
303 1 . 1 1 66 66 ASP N N 81 120.497 120.497 119.531 0.966 17645
304 1 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.379 -0.162 17645
305 1 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.392 0.708 17645
306 1 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.460 0.180 17645
307 1 . 1 1 66 66 ASP H H 81 9.089 9.089 7.809 1.280 17645
308 1 . 1 1 67 67 ALA N N 82 122.397 122.397 122.480 -0.083 17645
309 1 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.074 0.113 17645
310 1 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.162 0.667 17645
311 1 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.485 0.435 17645
312 1 . 1 1 67 67 ALA H H 82 7.636 7.636 8.258 -0.622 17645
313 1 . 1 1 68 68 LEU N N 83 121.806 121.806 118.225 3.581 17645
314 1 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.069 0.077 17645
315 1 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.639 0.641 17645
316 1 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.906 0.954 17645
317 1 . 1 1 68 68 LEU H H 83 7.727 7.727 7.676 0.051 17645
318 1 . 1 1 69 69 VAL N N 84 123.560 123.560 120.440 3.120 17645
319 1 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.644 -0.339 17645
320 1 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.362 1.677 17645
321 1 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.031 1.159 17645
322 1 . 1 1 69 69 VAL H H 84 8.560 8.560 7.831 0.729 17645
323 1 . 1 1 70 70 LYS N N 85 121.398 121.398 120.681 0.717 17645
324 1 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.075 0.017 17645
325 1 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.480 0.770 17645
326 1 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.122 0.638 17645
327 1 . 1 1 70 70 LYS H H 85 7.956 7.956 8.437 -0.481 17645
328 1 . 1 1 71 71 SER N N 86 114.825 114.825 115.111 -0.286 17645
329 1 . 1 1 71 71 SER HA H 86 4.298 4.298 4.175 0.123 17645
330 1 . 1 1 71 71 SER CA C 86 62.810 62.810 61.727 1.083 17645
331 1 . 1 1 71 71 SER CB C 86 63.640 63.640 62.956 0.684 17645
332 1 . 1 1 71 71 SER H H 86 8.284 8.284 7.898 0.386 17645
333 1 . 1 1 72 72 SER N N 87 118.845 118.845 117.677 1.168 17645
334 1 . 1 1 72 72 SER HA H 87 4.269 4.269 4.000 0.269 17645
335 1 . 1 1 72 72 SER CA C 87 62.940 62.940 61.760 1.180 17645
336 1 . 1 1 72 72 SER CB C 87 63.870 63.870 62.935 0.935 17645
337 1 . 1 1 72 72 SER H H 87 8.421 8.421 8.279 0.142 17645
338 1 . 1 1 73 73 GLU N N 88 124.809 124.809 121.246 3.563 17645
339 1 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.919 0.133 17645
340 1 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.484 0.746 17645
341 1 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.336 0.894 17645
342 1 . 1 1 73 73 GLU H H 88 8.376 8.376 7.924 0.452 17645
343 1 . 1 1 74 74 ASP N N 89 122.193 122.193 119.672 2.521 17645
344 1 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.411 -0.000 17645
345 1 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.143 0.767 17645
346 1 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.847 -0.267 17645
347 1 . 1 1 74 74 ASP H H 89 8.734 8.734 7.773 0.961 17645
348 1 . 1 1 75 75 LEU N N 90 123.280 123.280 121.535 1.745 17645
349 1 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.972 0.318 17645
350 1 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.902 0.658 17645
351 1 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.879 0.151 17645
352 1 . 1 1 75 75 LEU H H 90 7.986 7.986 7.305 0.681 17645
353 1 . 1 1 76 76 LEU N N 91 120.488 120.488 118.623 1.865 17645
354 1 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.744 0.093 17645
355 1 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.214 0.986 17645
356 1 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.998 0.512 17645
357 1 . 1 1 76 76 LEU H H 91 8.280 8.280 7.905 0.375 17645
358 1 . 1 1 77 77 SER N N 92 113.817 113.817 114.893 -1.076 17645
359 1 . 1 1 77 77 SER HA H 92 4.235 4.235 4.119 0.116 17645
360 1 . 1 1 77 77 SER CA C 92 62.200 62.200 61.820 0.380 17645
361 1 . 1 1 77 77 SER CB C 92 63.440 63.440 62.773 0.667 17645
362 1 . 1 1 77 77 SER H H 92 8.219 8.219 7.961 0.258 17645
363 1 . 1 1 78 78 ALA N N 93 124.902 124.902 124.325 0.577 17645
364 1 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.089 0.077 17645
365 1 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.862 0.998 17645
366 1 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.313 0.447 17645
367 1 . 1 1 78 78 ALA H H 93 7.949 7.949 7.790 0.159 17645
368 1 . 1 1 79 79 LEU N N 94 120.602 120.602 119.436 1.166 17645
369 1 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.871 0.196 17645
370 1 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.226 0.244 17645
371 1 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.632 0.978 17645
372 1 . 1 1 79 79 LEU H H 94 8.587 8.587 8.091 0.495 17645
373 1 . 1 1 80 80 GLN N N 95 119.525 119.525 118.504 1.021 17645
374 1 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.923 0.125 17645
375 1 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.556 0.034 17645
376 1 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.354 0.486 17645
377 1 . 1 1 80 80 GLN H H 95 8.561 8.561 8.514 0.047 17645
378 1 . 1 1 81 81 LYS N N 96 121.075 121.075 118.789 2.286 17645
379 1 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.052 0.085 17645
380 1 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.295 0.755 17645
381 1 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.084 0.856 17645
382 1 . 1 1 81 81 LYS H H 96 8.003 8.003 7.806 0.197 17645
383 1 . 1 1 82 82 LYS N N 97 121.415 121.415 119.970 1.445 17645
384 1 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.000 0.125 17645
385 1 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.743 0.227 17645
386 1 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.386 0.734 17645
387 1 . 1 1 82 82 LYS H H 97 7.903 7.903 7.760 0.143 17645
388 1 . 1 1 83 83 LYS N N 98 121.081 121.081 118.772 2.309 17645
389 1 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.060 -0.078 17645
390 1 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.139 0.871 17645
391 1 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.092 1.028 17645
392 1 . 1 1 83 83 LYS H H 98 8.202 8.202 7.975 0.227 17645
393 1 . 1 1 84 84 GLN N N 99 119.576 119.576 117.856 1.720 17645
394 1 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.079 0.045 17645
395 1 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.137 1.673 17645
396 1 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.523 0.437 17645
397 1 . 1 1 84 84 GLN H H 99 8.125 8.125 8.025 0.100 17645
398 1 . 1 1 85 85 GLN N N 100 120.009 120.009 118.180 1.829 17645
399 1 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.160 -0.039 17645
400 1 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.353 2.237 17645
401 1 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.366 -0.346 17645
402 1 . 1 1 85 85 GLN H H 100 8.341 8.341 7.732 0.609 17645
403 1 . 1 1 86 86 GLU N N 101 121.718 121.718 117.524 4.194 17645
404 1 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.134 0.001 17645
405 1 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.381 3.049 17645
406 1 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.566 0.574 17645
407 1 . 1 1 86 86 GLU H H 101 8.275 8.275 8.012 0.263 17645
408 1 . 1 1 87 87 GLU N N 102 121.412 121.412 119.164 2.248 17645
409 1 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.316 -0.200 17645
410 1 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.955 3.005 17645
411 1 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.610 -0.320 17645
412 1 . 1 1 87 87 GLU H H 102 8.330 8.330 8.382 -0.052 17645
stop_
save_